#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wry n SER 2 N 0.00 3.74 -3.47 1.61 2.88 -1.26 -4.94 113.62 112.18 1wry n SER 2 Ca 0.00 0.90 -0.08 0.00 -1.33 0.00 0.00 58.87 58.37 1wry n SER 2 Cb 0.00 -1.44 -0.08 0.00 -0.75 0.00 0.00 64.21 61.94 1wry n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wry s SER 3 N 4.47 -0.13 0.00 -3.46 0.01 -1.26 -5.12 113.70 108.21 1wry s SER 3 Ca 0.92 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.80 1wry s SER 3 Cb -0.57 1.33 0.00 0.00 0.21 0.00 0.00 66.02 66.99 1wry s SER 3 CO 0.47 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1wry n GLY 4 N 5.38 1.79 3.03 3.44 0.00 -1.26 -5.08 105.19 112.49 1wry n GLY 4 Ca -0.06 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.22 -1.03 0.04 1.61 0.01 -1.26 -5.16 113.70 107.70 1wry s SER 5 Ca 0.00 -0.47 -0.06 0.00 1.31 0.00 0.00 55.95 56.73 1wry s SER 5 Cb 0.00 1.33 -0.01 0.00 0.21 0.00 0.00 66.02 67.55 1wry s SER 5 CO 0.00 -0.12 0.11 -0.44 0.41 0.00 0.00 173.24 173.20 1wry s SER 6 N 1.97 0.18 0.00 2.44 0.01 -1.26 -5.15 113.70 111.90 1wry s SER 6 Ca 0.16 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1wry s SER 6 Cb -0.01 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1wry s SER 6 CO -0.11 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1wry n GLY 7 N 0.62 2.11 3.27 3.44 0.00 -1.26 -5.09 105.19 108.28 1wry n GLY 7 Ca -0.18 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 1wry n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wry n MET 8 N 0.00 -1.11 -3.37 1.61 2.00 -1.26 -4.89 117.12 110.09 1wry n MET 8 Ca 0.00 1.07 -0.38 0.00 0.00 0.00 0.00 57.70 58.40 1wry n MET 8 Cb 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 33.22 31.70 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 -1.19 5.20 -0.48 2.03 1.01 -1.26 -4.94 120.40 120.77 1wry s VAL 9 Ca 0.20 0.86 -0.17 0.00 0.00 0.00 0.00 61.98 62.87 1wry s VAL 9 Cb -0.02 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1wry s VAL 9 CO 0.46 0.36 0.46 -0.63 0.00 0.00 0.00 175.10 175.74 1wry s ILE 10 N 0.47 5.12 -0.24 2.22 -1.09 -1.16 -1.06 121.20 125.47 1wry s ILE 10 Ca 0.24 -0.84 -0.10 0.00 -2.23 0.00 0.00 60.65 57.71 1wry s ILE 10 Cb -0.15 -4.16 -0.05 0.00 -1.58 0.00 0.00 42.46 36.52 1wry s ILE 10 CO 0.09 -0.63 0.14 -0.13 -1.23 0.00 0.00 174.94 173.19 1wry s ARG 11 N 1.96 4.00 -0.09 2.79 0.52 0.75 0.20 118.95 129.07 1wry s ARG 11 Ca 0.08 -0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 54.97 1wry s ARG 11 Cb -0.22 -3.50 -0.03 0.00 0.52 0.00 0.00 34.95 31.72 1wry s ARG 11 CO 0.09 0.02 -0.05 0.08 0.02 0.00 0.00 175.30 175.46 1wry s VAL 12 N 1.14 3.86 -0.62 3.52 1.01 0.41 -0.86 120.40 128.86 1wry s VAL 12 Ca 0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 1wry s VAL 12 Cb -0.14 -2.61 0.16 0.00 0.00 0.00 0.00 36.38 33.79 1wry s VAL 12 CO 0.05 0.57 0.51 -0.31 0.00 0.00 0.00 175.10 175.93 1wry s TYR 13 N -0.51 3.50 0.52 5.22 1.51 0.01 0.83 117.35 128.43 1wry s TYR 13 Ca 0.08 -2.00 0.07 0.00 -1.01 0.00 0.00 57.07 54.20 1wry s TYR 13 Cb -0.12 -3.58 0.07 0.00 -0.11 0.00 0.00 41.96 38.22 1wry s TYR 13 CO 0.02 -0.97 0.56 0.44 -1.11 0.00 0.00 175.55 174.49 1wry n ILE 14 N 4.38 0.00 -3.42 2.71 -5.35 0.51 -2.74 119.36 115.45 1wry n ILE 14 Ca 0.01 -1.90 -0.26 0.00 -0.27 0.00 0.00 62.75 60.33 1wry n ILE 14 Cb 0.42 -0.31 -0.09 0.00 -1.74 0.00 0.00 39.64 37.92 1wry n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wry n ALA 15 N -2.17 3.21 -0.24 -1.28 0.00 -1.26 0.23 120.51 119.01 1wry n ALA 15 Ca -0.14 -3.99 0.11 0.00 0.00 0.00 0.00 53.44 49.41 1wry n ALA 15 Cb 0.56 -0.87 0.22 0.00 0.00 0.00 0.00 19.45 19.36 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 1.56 -0.06 0.05 0.00 2.88 -1.26 -0.41 113.62 116.39 1wry n SER 16 Ca 0.25 1.16 -0.02 0.00 -1.33 0.00 0.00 58.87 58.93 1wry n SER 16 Cb 0.45 -0.43 -0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1wry n SER 16 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wry h SER 17 N 0.00 -0.12 -0.68 -3.46 0.87 -1.94 -3.49 113.55 104.73 1wry h SER 17 Ca 0.43 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 61.05 1wry h SER 17 Cb 0.91 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 1wry h SER 17 CO -0.64 -0.05 -0.08 -1.54 -0.53 0.00 0.00 176.83 174.00 1wry n SER 18 N -2.57 -2.52 -0.55 6.23 3.41 0.45 -4.78 113.62 113.30 1wry n SER 18 Ca -0.02 0.23 -0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1wry n SER 18 Cb 0.05 -0.77 -0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1wry n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wry n GLY 19 N -0.75 0.76 3.16 5.00 0.00 -1.26 -5.10 105.19 107.00 1wry n GLY 19 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.55 -0.30 0.05 1.61 0.01 -1.26 -5.05 113.70 108.20 1wry s SER 20 Ca 0.01 0.58 -0.23 0.00 1.31 0.00 0.00 55.95 57.62 1wry s SER 20 Cb 0.01 0.56 -0.15 0.00 0.21 0.00 0.00 66.02 66.65 1wry s SER 20 CO -0.01 -0.11 1.50 0.74 0.41 0.00 0.00 173.24 175.77 1wry h THR 21 N 4.92 1.22 -0.98 1.44 2.02 -1.99 -2.68 112.91 116.87 1wry h THR 21 Ca -0.29 -0.69 0.12 0.00 0.77 0.00 0.00 66.41 66.32 1wry h THR 21 Cb 1.18 1.54 -0.14 0.00 -1.74 0.00 0.00 68.15 69.00 1wry h THR 21 CO 0.34 0.19 -0.49 0.00 0.37 0.00 0.00 175.52 175.93 1wry n ALA 22 N -2.26 -0.40 0.21 6.16 0.00 -1.26 0.52 120.51 123.48 1wry n ALA 22 Ca -0.06 0.90 -0.15 0.00 0.00 0.00 0.00 53.44 54.13 1wry n ALA 22 Cb 0.17 -0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 1wry n ALA 22 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1wry h ILE 23 N 0.00 0.00 -0.98 0.00 2.04 -1.88 0.26 117.51 116.95 1wry h ILE 23 Ca 0.24 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.26 1wry h ILE 23 Cb 0.49 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.40 1wry h ILE 23 CO -0.95 0.00 -0.36 0.11 0.00 0.00 0.00 178.15 176.96 1wry h LYS 24 N -0.79 -0.01 0.30 2.37 1.57 -0.51 0.62 116.57 120.13 1wry h LYS 24 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1wry h LYS 24 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1wry h LYS 24 CO -0.10 -0.00 -0.27 0.87 -0.57 0.00 0.00 179.45 179.38 1wry h LYS 25 N -0.01 -0.54 -0.92 3.15 1.57 0.70 0.13 116.57 120.65 1wry h LYS 25 Ca 0.37 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.29 1wry h LYS 25 Cb 0.62 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 32.93 1wry h LYS 25 CO -0.99 -0.36 -0.54 0.87 -0.57 0.00 0.00 179.45 177.87 1wry h LYS 26 N -0.56 -0.05 -1.00 3.15 1.57 0.16 1.49 116.57 121.33 1wry h LYS 26 Ca -0.04 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 58.96 1wry h LYS 26 Cb 0.47 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.68 1wry h LYS 26 CO -0.01 -0.03 0.61 1.96 -0.57 0.00 0.00 179.45 181.41 1wry h GLN 27 N -0.05 0.63 0.00 3.15 4.20 0.37 1.28 115.11 124.69 1wry h GLN 27 Ca 0.19 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1wry h GLN 27 Cb 0.47 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wry h GLN 27 CO -0.91 0.42 -0.10 1.96 -0.67 0.00 0.00 178.83 179.53 1wry h GLN 28 N 0.65 0.00 0.05 1.46 4.20 0.46 0.59 115.11 122.52 1wry h GLN 28 Ca 0.60 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 59.08 1wry h GLN 28 Cb 1.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1wry h GLN 28 CO -0.40 0.10 -1.07 0.22 -0.67 0.00 0.00 178.83 177.01 1wry h ASP 29 N 0.00 0.20 0.63 1.46 1.82 0.62 0.29 116.42 121.44 1wry h ASP 29 Ca -0.00 -0.21 -0.27 0.00 -0.39 0.00 0.00 57.03 56.16 1wry h ASP 29 Cb 0.66 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.60 1wry h ASP 29 CO 0.01 1.13 -1.30 0.58 -1.61 0.00 0.00 179.24 178.06 1wry h VAL 30 N 0.04 1.42 0.07 2.25 2.07 -0.59 -2.86 116.25 118.66 1wry h VAL 30 Ca -0.06 -3.03 -0.00 0.00 0.82 0.00 0.00 66.70 64.42 1wry h VAL 30 Cb 1.80 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 34.45 1wry h VAL 30 CO 0.16 0.87 -0.03 -0.07 0.02 0.00 0.00 177.57 178.52 1wry h LEU 31 N 0.06 -0.08 -0.98 2.57 3.38 -0.93 -2.81 115.31 116.53 1wry h LEU 31 Ca -0.15 -0.41 0.22 0.00 0.09 0.00 0.00 57.88 57.62 1wry h LEU 31 Cb 1.96 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 42.61 1wry h LEU 31 CO 0.18 0.59 0.56 1.23 0.09 0.00 0.00 178.44 181.09 1wry h GLY 32 N -0.96 1.79 0.85 0.83 0.00 -0.56 0.27 103.07 105.29 1wry h GLY 32 Ca -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1wry h GLY 32 CO 0.02 -0.18 -0.30 -2.75 0.00 0.00 0.00 176.54 173.33 1wry h PHE 33 N 0.62 -0.77 -0.11 5.60 3.57 -1.59 0.61 116.94 124.87 1wry h PHE 33 Ca 0.60 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 62.11 1wry h PHE 33 Cb 1.06 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 1wry h PHE 33 CO -0.03 -0.43 0.15 -0.07 -2.23 0.00 0.00 178.31 175.70 1wry h LEU 34 N -0.99 0.00 0.14 0.59 3.38 -1.02 0.46 115.31 117.86 1wry h LEU 34 Ca -0.08 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 1wry h LEU 34 Cb 0.68 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.45 1wry h LEU 34 CO 0.14 0.00 -0.83 -0.33 0.09 0.00 0.00 178.44 177.50 1wry h GLU 35 N 0.00 0.29 0.00 1.13 5.08 0.03 1.02 114.58 122.12 1wry h GLU 35 Ca 0.05 -0.49 -0.08 0.00 -1.00 0.00 0.00 59.36 57.85 1wry h GLU 35 Cb 0.35 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1wry h GLU 35 CO -0.00 1.24 -0.36 0.00 -1.00 0.00 0.00 179.01 178.88 1wry h ALA 36 N 0.07 1.37 -0.10 3.43 0.00 0.18 -0.71 119.26 123.49 1wry h ALA 36 Ca -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wry h ALA 36 Cb 1.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1wry h ALA 36 CO 0.14 0.46 0.00 0.09 0.00 0.00 0.00 179.25 179.94 1wry n ASN 37 N -4.07 1.44 -3.90 0.00 3.02 0.15 -4.92 115.26 106.98 1wry n ASN 37 Ca -0.02 -1.59 -0.25 0.00 -0.03 0.00 0.00 54.58 52.69 1wry n ASN 37 Cb 0.40 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.15 -3.35 -3.47 3.52 5.02 -0.28 -4.93 118.16 114.82 1wry n LYS 38 Ca 0.17 0.44 -0.34 0.00 -2.02 0.00 0.00 58.31 56.55 1wry n LYS 38 Cb 0.31 -4.58 -0.06 0.00 -0.02 0.00 0.00 35.03 30.69 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 -3.88 4.98 -1.29 -0.18 1.01 0.35 -5.00 121.20 117.18 1wry s ILE 39 Ca 0.04 0.59 -0.14 0.00 0.00 0.00 0.00 60.65 61.14 1wry s ILE 39 Cb -0.01 -3.68 0.12 0.00 0.01 0.00 0.00 42.46 38.90 1wry s ILE 39 CO 0.88 0.21 1.76 0.61 0.00 0.00 0.00 174.94 178.40 1wry n GLY 40 N 0.70 3.76 3.92 6.18 0.00 -1.26 -4.75 105.19 113.73 1wry n GLY 40 Ca -0.06 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.89 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 2.12 1.93 -0.02 1.61 -0.71 -1.26 -2.98 117.98 118.68 1wry s PHE 41 Ca 0.45 -0.71 0.04 0.00 -1.04 0.00 0.00 56.93 55.67 1wry s PHE 41 Cb 0.05 -2.05 -0.01 0.00 -1.21 0.00 0.00 43.02 39.80 1wry s PHE 41 CO 0.00 -0.50 -0.12 -1.21 -1.34 0.00 0.00 175.22 172.06 1wry s GLU 42 N -4.31 1.08 -0.35 1.99 2.02 0.52 -4.86 118.70 114.79 1wry s GLU 42 Ca 0.44 -0.44 -0.19 0.00 0.02 0.00 0.00 54.97 54.80 1wry s GLU 42 Cb -0.03 -1.02 -0.00 0.00 0.10 0.00 0.00 34.13 33.18 1wry s GLU 42 CO 0.27 0.24 0.57 -1.21 0.02 0.00 0.00 175.26 175.15 1wry s GLU 43 N -0.17 3.66 -0.25 1.61 2.02 -1.26 -0.44 118.70 123.87 1wry s GLU 43 Ca 0.02 -0.04 -0.02 0.00 0.02 0.00 0.00 54.97 54.96 1wry s GLU 43 Cb -0.06 -3.80 0.03 0.00 0.10 0.00 0.00 34.13 30.39 1wry s GLU 43 CO -0.00 -0.68 -0.06 0.15 0.02 0.00 0.00 175.26 174.70 1wry s LYS 44 N 2.54 2.84 -0.13 1.61 -0.14 0.24 -4.95 119.74 121.75 1wry s LYS 44 Ca 0.22 -0.97 -0.20 0.00 -1.36 0.00 0.00 55.97 53.65 1wry s LYS 44 Cb -0.15 -3.00 -0.03 0.00 -1.68 0.00 0.00 37.83 32.97 1wry s LYS 44 CO 0.14 -0.40 0.59 0.34 -0.76 0.00 0.00 175.35 175.26 1wry s ASP 45 N 1.33 6.77 -0.11 2.83 2.15 -1.25 0.19 116.67 128.57 1wry s ASP 45 Ca 0.00 0.92 0.09 0.00 0.43 0.00 0.00 52.55 53.99 1wry s ASP 45 Cb -0.17 -2.34 -0.24 0.00 -0.30 0.00 0.00 42.92 39.88 1wry s ASP 45 CO -0.04 -0.12 0.39 2.30 -0.17 0.00 0.00 175.17 177.53 1wry n ILE 46 N 4.05 1.58 0.27 4.11 -5.35 0.62 -3.93 119.36 120.72 1wry n ILE 46 Ca -0.04 -0.76 -0.16 0.00 -0.27 0.00 0.00 62.75 61.52 1wry n ILE 46 Cb 0.51 -1.08 -0.09 0.00 -1.74 0.00 0.00 39.64 37.25 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 0.73 -1.12 -0.55 -1.28 0.00 -1.87 -2.42 119.26 112.75 1wry h ALA 47 Ca -0.40 -0.17 -0.51 0.00 0.00 0.00 0.00 54.91 53.82 1wry h ALA 47 Cb 2.06 0.66 -0.18 0.00 0.00 0.00 0.00 17.79 20.34 1wry h ALA 47 CO 0.06 -1.14 0.49 0.00 0.00 0.00 0.00 179.25 178.66 1wry n ALA 48 N -2.73 6.48 0.00 0.00 0.00 -1.26 -4.51 120.51 118.48 1wry n ALA 48 Ca -0.11 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.22 1wry n ALA 48 Cb 0.41 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1wry n ALA 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wry n ASN 49 N 0.89 0.00 0.07 0.00 4.13 -0.91 -4.95 115.26 114.49 1wry n ASN 49 Ca 0.50 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.63 1wry n ASN 49 Cb 0.53 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.69 1wry n ASN 49 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1wry h GLU 50 N 0.00 -0.17 -0.91 3.52 4.81 -1.79 -2.89 114.58 117.15 1wry h GLU 50 Ca 0.00 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 1wry h GLU 50 Cb 0.00 0.04 -0.17 0.00 0.63 0.00 0.00 28.75 29.25 1wry h GLU 50 CO 0.00 0.16 -0.26 -0.85 -0.73 0.00 0.00 179.01 177.33 1wry n GLU 51 N -5.01 -0.11 0.25 1.92 0.28 -1.26 0.20 120.64 116.90 1wry n GLU 51 Ca -0.09 1.41 -0.16 0.00 -0.16 0.00 0.00 57.16 58.17 1wry n GLU 51 Cb 0.22 -2.11 -0.08 0.00 1.43 0.00 0.00 31.44 30.91 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 -0.77 0.36 -1.84 4.21 -1.88 0.28 115.58 115.94 1wry h ASN 52 Ca 0.41 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.97 1wry h ASN 52 Cb 0.63 0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 38.06 1wry h ASN 52 CO -0.93 -0.45 -0.33 -0.09 -1.29 0.00 0.00 177.43 174.33 1wry h ARG 53 N -0.70 -0.69 -0.04 0.81 2.43 0.43 0.79 114.38 117.42 1wry h ARG 53 Ca -0.04 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1wry h ARG 53 Cb 0.60 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1wry h ARG 53 CO 0.01 -0.46 -0.13 -0.22 -1.51 0.00 0.00 179.97 177.66 1wry h LYS 54 N -0.72 -0.13 -0.38 0.20 3.64 0.24 1.04 116.57 120.47 1wry h LYS 54 Ca -0.03 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1wry h LYS 54 Cb 0.64 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.40 1wry h LYS 54 CO -0.04 -0.09 -0.45 2.35 -2.27 0.00 0.00 179.45 178.95 1wry h TRP 55 N -0.13 -1.33 -0.84 1.91 7.01 -0.40 0.25 115.95 122.43 1wry h TRP 55 Ca 0.01 0.07 0.21 0.00 2.11 0.00 0.00 58.89 61.29 1wry h TRP 55 Cb 0.16 0.63 -0.14 0.00 -2.10 0.00 0.00 29.16 27.71 1wry h TRP 55 CO -0.49 -0.45 0.08 1.98 -2.79 0.00 0.00 178.44 176.77 1wry h MET 56 N -0.36 0.12 -0.86 2.65 4.05 0.13 0.69 114.93 121.35 1wry h MET 56 Ca 0.12 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 1wry h MET 56 Cb 0.59 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.32 1wry h MET 56 CO -0.56 0.08 0.57 0.00 0.23 0.00 0.00 176.91 177.23 1wry h ARG 57 N 0.12 1.14 0.00 0.39 3.08 0.44 0.95 114.38 120.50 1wry h ARG 57 Ca 0.49 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1wry h ARG 57 Cb 0.94 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1wry h ARG 57 CO -0.71 0.75 0.00 0.93 -1.07 0.00 0.00 179.97 179.87 1wry h GLU 58 N 1.17 0.00 0.02 0.04 4.39 0.23 -3.11 114.58 117.32 1wry h GLU 58 Ca 0.32 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.73 1wry h GLU 58 Cb -0.14 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 1wry h GLU 58 CO -0.07 0.00 -1.60 0.09 -1.16 0.00 0.00 179.01 176.27 1wry n ASN 59 N -2.52 1.92 -4.51 1.42 5.03 0.69 -4.93 115.26 112.36 1wry n ASN 59 Ca 0.02 0.36 -0.54 0.00 0.87 0.00 0.00 54.58 55.29 1wry n ASN 59 Cb 0.28 -0.92 -0.06 0.00 -1.02 0.00 0.00 39.78 38.06 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 -4.23 0.51 -2.47 2.41 0.31 0.31 -4.88 118.33 110.29 1wry n VAL 60 Ca -0.36 -0.13 -0.34 0.00 -0.01 0.00 0.00 64.34 63.51 1wry n VAL 60 Cb 0.78 -0.28 -0.03 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 -0.17 3.74 0.49 5.55 0.04 -1.26 -4.89 135.00 138.50 1wry s PRO 61 Ca 0.82 1.32 0.21 0.00 0.04 0.00 0.00 61.00 63.39 1wry s PRO 61 Cb -1.08 -2.09 1.26 0.00 0.04 0.00 0.00 34.50 32.63 1wry s PRO 61 CO 0.54 -0.48 2.06 1.49 0.04 0.00 0.00 177.00 180.65 1wry h GLU 62 N 1.38 0.00 0.00 4.56 4.81 -1.94 0.21 114.58 123.59 1wry h GLU 62 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1wry h GLU 62 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1wry h GLU 62 CO 0.59 0.13 0.00 -1.71 -0.73 0.00 0.00 179.01 177.29 1wry n ASN 63 N -4.04 0.00 -0.00 1.04 5.15 -1.26 -2.44 115.26 113.71 1wry n ASN 63 Ca -0.02 -0.04 0.02 0.00 -0.60 0.00 0.00 54.58 53.94 1wry n ASN 63 Cb 0.22 -0.30 -0.03 0.00 -0.53 0.00 0.00 39.78 39.14 1wry n ASN 63 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wry n SER 64 N -1.30 0.98 -4.79 1.20 7.64 0.51 -5.03 113.62 112.84 1wry n SER 64 Ca 0.11 -0.49 -0.34 0.00 1.01 0.00 0.00 58.87 59.16 1wry n SER 64 Cb 0.20 1.05 -0.01 0.00 -1.01 0.00 0.00 64.21 64.44 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 -1.64 3.53 0.92 1.43 0.52 0.02 -4.94 118.95 118.80 1wry s ARG 65 Ca 0.01 1.48 -0.16 0.00 -0.52 0.00 0.00 55.73 56.55 1wry s ARG 65 Cb 0.04 -2.04 0.22 0.00 0.52 0.00 0.00 34.95 33.68 1wry s ARG 65 CO 0.20 -0.67 1.02 -0.35 0.02 0.00 0.00 175.30 175.51 1wry n PRO 66 N -1.21 -1.92 -0.11 3.54 -0.04 -1.26 -4.94 135.00 129.05 1wry n PRO 66 Ca 0.10 -1.59 -0.05 0.00 -0.04 0.00 0.00 63.50 61.92 1wry n PRO 66 Cb 0.52 -1.26 0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 -2.22 0.15 -2.47 0.55 0.00 -1.96 -3.44 119.26 109.88 1wry h ALA 67 Ca -0.35 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1wry h ALA 67 Cb 1.02 0.41 -0.19 0.00 0.00 0.00 0.00 17.79 19.03 1wry h ALA 67 CO 0.24 -0.52 -0.20 -0.08 0.00 0.00 0.00 179.25 178.68 1wry s THR 68 N -6.17 0.06 0.00 0.00 -1.32 -1.26 -5.13 115.64 101.82 1wry s THR 68 Ca -0.14 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 1wry s THR 68 Cb 0.14 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 1wry s THR 68 CO 0.70 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 173.47 1wry n GLY 69 N 1.01 -1.60 3.94 6.08 0.00 -1.26 -4.95 105.19 108.40 1wry n GLY 69 Ca -0.20 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 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 3.40 -0.17 1.61 2.02 -1.26 -4.68 117.35 118.28 1wry s TYR 70 Ca 0.00 0.37 -0.29 0.00 -0.37 0.00 0.00 57.07 56.77 1wry s TYR 70 Cb 0.00 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.44 1wry s TYR 70 CO 0.00 -0.11 1.28 -1.25 -1.57 0.00 0.00 175.55 173.90 1wry s PRO 71 N -4.46 4.21 0.53 -1.71 0.04 -1.26 -4.72 135.00 127.62 1wry s PRO 71 Ca 0.44 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 1wry s PRO 71 Cb -0.10 -3.78 -0.07 0.00 0.04 0.00 0.00 34.50 30.59 1wry s PRO 71 CO 0.38 -0.74 1.06 -0.51 0.04 0.00 0.00 177.00 177.23 1wry s LEU 72 N 3.59 3.73 0.86 -3.56 1.43 -1.26 -5.01 118.68 118.46 1wry s LEU 72 Ca 0.55 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 55.48 1wry s LEU 72 Cb -0.22 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.55 1wry s LEU 72 CO 0.16 -0.97 1.12 -2.16 0.23 0.00 0.00 176.35 174.73 1wry s PRO 73 N -3.47 1.60 0.98 1.29 0.04 -1.26 -4.64 135.00 129.54 1wry s PRO 73 Ca 0.67 0.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.03 1wry s PRO 73 Cb -0.18 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 32.67 1wry s PRO 73 CO 0.26 -1.91 1.17 -1.25 0.04 0.00 0.00 177.00 175.31 1wry s PRO 74 N -5.22 0.54 -0.19 0.56 0.04 -1.26 -4.88 135.00 124.59 1wry s PRO 74 Ca 0.62 0.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.68 1wry s PRO 74 Cb -0.15 -1.79 0.08 0.00 0.04 0.00 0.00 34.50 32.69 1wry s PRO 74 CO 0.54 -2.56 0.19 -0.65 0.04 0.00 0.00 177.00 174.55 1wry s GLN 75 N -5.44 0.15 0.24 4.56 -1.52 -1.11 -3.96 119.66 112.58 1wry s GLN 75 Ca 0.68 0.15 -0.30 0.00 -1.95 0.00 0.00 55.36 53.93 1wry s GLN 75 Cb -0.11 -1.33 -0.09 0.00 -0.22 0.00 0.00 33.01 31.26 1wry s GLN 75 CO 0.54 -0.65 1.05 0.42 -0.25 0.00 0.00 175.29 176.40 1wry s ILE 76 N 2.28 3.78 -0.14 1.08 1.09 0.10 -0.81 121.20 128.58 1wry s ILE 76 Ca 0.05 1.72 -0.07 0.00 -1.10 0.00 0.00 60.65 61.25 1wry s ILE 76 Cb -0.16 -4.09 0.05 0.00 -1.06 0.00 0.00 42.46 37.20 1wry s ILE 76 CO -0.11 0.38 0.33 -0.36 -0.10 0.00 0.00 174.94 175.08 1wry s PHE 77 N -0.90 -0.47 -0.66 3.97 0.08 -0.04 -2.76 117.98 117.20 1wry s PHE 77 Ca 0.45 1.05 -0.21 0.00 0.12 0.00 0.00 56.93 58.33 1wry s PHE 77 Cb -0.29 0.15 0.08 0.00 -0.57 0.00 0.00 43.02 42.40 1wry s PHE 77 CO 0.37 -0.29 0.90 1.21 -0.10 0.00 0.00 175.22 177.30 1wry s ASN 78 N 1.39 6.21 0.00 1.36 3.84 0.58 -0.17 114.94 128.15 1wry s ASN 78 Ca -0.09 -1.20 0.00 0.00 0.21 0.00 0.00 52.86 51.78 1wry s ASN 78 Cb -0.10 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.22 1wry s ASN 78 CO -0.11 -1.32 0.00 -0.62 -2.79 0.00 0.00 177.10 172.26 1wry n GLU 79 N 7.22 0.00 0.00 0.43 1.02 -0.23 0.12 120.64 129.20 1wry n GLU 79 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1wry n GLU 79 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 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 1.67 0.00 -4.96 1.62 3.41 -1.26 -4.82 113.62 109.28 1wry n SER 80 Ca 0.00 -0.39 -0.22 0.00 -0.26 0.00 0.00 58.87 57.99 1wry n SER 80 Cb 0.00 0.79 -0.01 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.79 3.37 0.08 4.33 -1.52 0.32 -5.07 119.66 120.39 1wry s GLN 81 Ca 0.00 -0.53 0.02 0.00 -1.95 0.00 0.00 55.36 52.90 1wry s GLN 81 Cb 0.00 -2.71 -0.04 0.00 -0.22 0.00 0.00 33.01 30.04 1wry s GLN 81 CO 0.00 0.14 0.16 -0.47 -0.25 0.00 0.00 175.29 174.87 1wry s TYR 82 N -2.26 3.37 0.08 0.91 6.14 -1.26 0.22 117.35 124.53 1wry s TYR 82 Ca 0.40 0.15 -0.00 0.00 0.64 0.00 0.00 57.07 58.26 1wry s TYR 82 Cb -0.09 -1.68 -0.00 0.00 0.42 0.00 0.00 41.96 40.60 1wry s TYR 82 CO 0.34 0.55 -0.01 0.54 0.64 0.00 0.00 175.55 177.62 1wry n ARG 83 N 0.22 0.01 -3.08 4.97 5.12 -1.11 -4.73 116.66 118.06 1wry n ARG 83 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1wry n ARG 83 Cb 0.52 -0.42 0.00 0.00 -1.16 0.00 0.00 32.46 31.39 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 3.45 -1.25 2.59 -0.13 0.00 -1.23 -5.05 105.19 103.57 1wry n GLY 84 Ca -0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 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 0.24 2.29 -0.35 1.61 5.75 -1.26 0.01 116.55 124.85 1wry n ASP 85 Ca 0.00 -2.32 0.26 0.00 -0.01 0.00 0.00 54.79 52.71 1wry n ASP 85 Cb 0.00 0.01 0.53 0.00 -1.03 0.00 0.00 41.12 40.63 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 0.68 0.67 0.28 2.11 5.03 -1.93 0.65 116.97 124.46 1wry h TYR 86 Ca -0.24 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.08 1wry h TYR 86 Cb 0.87 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.97 1wry h TYR 86 CO 0.00 -0.02 -0.13 -0.44 -1.32 0.00 0.00 178.16 176.25 1wry h ASP 87 N 0.33 -0.32 -0.06 -2.11 3.32 -1.94 0.10 116.42 115.75 1wry h ASP 87 Ca 0.66 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.62 1wry h ASP 87 Cb 1.74 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 41.36 1wry h ASP 87 CO -0.36 -0.17 -0.10 0.00 -1.72 0.00 0.00 179.24 176.89 1wry h ALA 88 N 0.27 1.43 -0.69 3.45 0.00 -0.92 -1.03 119.26 121.77 1wry h ALA 88 Ca -0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1wry h ALA 88 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1wry h ALA 88 CO 0.06 0.40 0.21 0.35 0.00 0.00 0.00 179.25 180.27 1wry h PHE 89 N 0.32 1.10 -0.02 0.00 3.57 0.64 0.19 116.94 122.74 1wry h PHE 89 Ca 0.07 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1wry h PHE 89 Cb 0.39 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1wry h PHE 89 CO 0.01 0.87 -0.08 0.35 -2.23 0.00 0.00 178.31 177.23 1wry h PHE 90 N 1.02 0.12 0.22 0.41 3.04 -0.22 -2.71 116.94 118.83 1wry h PHE 90 Ca 0.22 -0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.13 1wry h PHE 90 Cb 0.30 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1wry h PHE 90 CO 0.02 0.71 -0.27 1.49 -2.02 0.00 0.00 178.31 178.24 1wry h GLU 91 N -0.50 -0.52 -0.08 1.11 4.81 -1.13 0.25 114.58 118.53 1wry h GLU 91 Ca -0.00 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1wry h GLU 91 Cb 0.71 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1wry h GLU 91 CO 0.02 -0.35 0.22 0.00 -0.73 0.00 0.00 179.01 178.17 1wry h ALA 92 N 0.11 1.44 0.11 2.92 0.00 -1.05 0.48 119.26 123.27 1wry h ALA 92 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1wry h ALA 92 Cb 0.52 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1wry h ALA 92 CO -0.09 -0.26 -0.65 -0.09 0.00 0.00 0.00 179.25 178.16 1wry h ARG 93 N 0.00 0.22 -0.87 0.00 2.43 -0.50 1.25 114.38 116.91 1wry h ARG 93 Ca 0.04 -0.38 0.05 0.00 -0.81 0.00 0.00 59.98 58.87 1wry h ARG 93 Cb 0.48 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1wry h ARG 93 CO -0.00 1.18 0.57 0.93 -1.51 0.00 0.00 179.97 181.14 1wry h GLU 94 N -0.53 1.01 -0.23 0.20 5.08 0.15 0.40 114.58 120.66 1wry h GLU 94 Ca -0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1wry h GLU 94 Cb 1.49 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1wry h GLU 94 CO 0.11 0.67 0.00 0.09 -1.00 0.00 0.00 179.01 178.87 1wry n ASN 95 N -4.46 1.24 -3.95 1.42 3.02 -0.50 -4.90 115.26 107.13 1wry n ASN 95 Ca 0.12 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.35 1wry n ASN 95 Cb 0.15 -0.15 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 0.17 -2.68 -0.46 6.41 3.02 0.14 -4.84 115.26 117.01 1wry n ASN 96 Ca 0.08 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 1wry n ASN 96 Cb 0.20 -2.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 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 -4.53 1.93 -0.11 5.41 0.00 0.39 -4.78 120.51 118.83 1wry n ALA 97 Ca -0.19 -0.89 -0.07 0.00 0.00 0.00 0.00 53.44 52.28 1wry n ALA 97 Cb 0.63 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 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 6.57 0.28 -0.92 0.00 2.07 -0.80 0.39 116.25 123.83 1wry h VAL 98 Ca 0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 1wry h VAL 98 Cb 1.34 0.28 -0.10 0.00 -1.52 0.00 0.00 31.29 31.30 1wry h VAL 98 CO 0.00 0.00 0.51 1.88 0.02 0.00 0.00 177.57 179.98 1wry h TYR 99 N -0.23 0.90 0.00 1.57 0.05 -1.90 0.70 116.97 118.05 1wry h TYR 99 Ca 0.17 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.91 1wry h TYR 99 Cb 0.51 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1wry h TYR 99 CO -0.50 0.20 -0.36 0.00 -1.05 0.00 0.00 178.16 176.45 1wry h ALA 100 N 1.60 1.16 -0.00 3.88 0.00 -0.92 0.46 119.26 125.45 1wry h ALA 100 Ca 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wry h ALA 100 Cb 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1wry h ALA 100 CO -0.38 0.45 -0.16 0.34 0.00 0.00 0.00 179.25 179.51 1wry n PHE 101 N -3.77 0.00 0.72 0.00 7.35 0.21 -3.01 117.46 118.97 1wry n PHE 101 Ca -0.01 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.76 1wry n PHE 101 Cb 0.45 -0.38 0.02 0.00 0.35 0.00 0.00 39.48 39.91 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 -1.42 1.83 0.00 -2.13 4.77 0.49 -4.78 117.00 115.75 1wry n LEU 102 Ca 0.08 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1wry n LEU 102 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1wry n LEU 102 CO 0.29 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1wry n GLY 103 N 1.11 0.50 1.60 -0.72 0.00 -0.74 -4.86 105.19 102.08 1wry n GLY 103 Ca 0.08 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.00 -0.05 0.99 4.77 0.15 -5.00 117.00 117.87 1wry n LEU 104 Ca 0.00 -0.82 0.01 0.00 -0.03 0.00 0.00 56.01 55.17 1wry n LEU 104 Cb 0.00 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1wry n LEU 104 CO 0.00 -0.73 0.42 1.07 -1.33 0.00 0.00 177.39 176.82 1wry n THR 105 N -2.12 0.77 -1.11 -5.08 5.66 -1.26 -4.35 114.28 106.78 1wry n THR 105 Ca 0.07 -0.83 0.00 0.00 -3.05 0.00 0.00 64.05 60.24 1wry n THR 105 Cb 0.24 0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.56 1wry n THR 105 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wry n ALA 106 N -0.46 -1.54 -1.72 1.79 0.00 -1.26 -4.50 120.51 112.82 1wry n ALA 106 Ca 0.02 0.34 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 1wry n ALA 106 Cb 0.40 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 1wry n ALA 106 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wry s PRO 107 N -4.97 3.51 -0.63 0.00 0.04 -1.26 -4.90 135.00 126.79 1wry s PRO 107 Ca 0.00 1.23 -0.06 0.00 0.04 0.00 0.00 61.00 62.21 1wry s PRO 107 Cb 0.00 -2.06 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 1wry s PRO 107 CO 0.00 -0.65 2.65 -0.35 0.04 0.00 0.00 177.00 178.69 1wry n PRO 108 N -1.69 2.16 0.00 0.56 -0.04 -1.26 -2.81 135.00 131.92 1wry n PRO 108 Ca 0.09 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1wry n PRO 108 Cb 0.53 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 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 3.18 0.00 3.21 0.55 0.00 -1.26 -5.09 105.19 105.78 1wry n GLY 109 Ca 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 1wry n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wry s SER 110 N 0.00 1.47 0.23 1.61 0.15 -1.12 -4.98 113.70 111.06 1wry s SER 110 Ca 0.00 -1.01 -0.08 0.00 0.70 0.00 0.00 55.95 55.56 1wry s SER 110 Cb 0.00 0.04 0.39 0.00 -1.71 0.00 0.00 66.02 64.74 1wry s SER 110 CO 0.00 -0.40 1.65 0.11 1.20 0.00 0.00 173.24 175.80 1wry h LYS 111 N 2.88 0.12 -0.54 5.44 1.57 -1.96 1.79 116.57 125.86 1wry h LYS 111 Ca -0.36 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1wry h LYS 111 Cb 1.18 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1wry h LYS 111 CO 0.64 0.08 0.45 0.93 -0.57 0.00 0.00 179.45 180.98 1wry h GLU 112 N 0.12 0.00 0.06 3.15 4.39 -1.92 1.44 114.58 121.82 1wry h GLU 112 Ca 0.38 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.73 1wry h GLU 112 Cb 0.66 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 1wry h GLU 112 CO -0.61 0.00 -1.98 0.00 -1.16 0.00 0.00 179.01 175.26 1wry n ALA 113 N -2.52 0.99 -0.11 3.43 0.00 0.45 -3.85 120.51 118.90 1wry n ALA 113 Ca 0.10 -0.71 -0.09 0.00 0.00 0.00 0.00 53.44 52.74 1wry n ALA 113 Cb 0.67 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.27 0.48 0.00 0.00 5.08 0.34 -3.41 114.58 116.80 1wry h GLU 114 Ca -0.46 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1wry h GLU 114 Cb 1.81 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1wry h GLU 114 CO -0.06 0.38 0.00 1.33 -1.00 0.00 0.00 179.01 179.67 1wry n VAL 115 N -4.79 0.00 -0.09 3.13 0.24 0.48 -4.81 118.33 112.49 1wry n VAL 115 Ca -0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 1wry n VAL 115 Cb 0.07 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.37 1wry n VAL 115 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1wry h SER 116 N -0.16 -1.55 -0.10 -1.34 0.87 -1.84 -3.48 113.55 105.95 1wry h SER 116 Ca 0.00 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1wry h SER 116 Cb 0.00 0.65 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1wry h SER 116 CO 0.00 -0.41 0.00 0.61 -0.53 0.00 0.00 176.83 176.50 1wry n GLY 117 N -1.41 0.07 0.18 5.77 0.00 -1.25 -4.98 105.19 103.56 1wry n GLY 117 Ca -0.03 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 -0.97 1.61 0.13 -1.93 -3.44 132.00 127.39 1wry h PRO 118 Ca 0.00 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.31 1wry h PRO 118 Cb 0.00 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 30.88 1wry h PRO 118 CO 0.00 0.37 0.29 -1.12 -0.23 0.00 0.00 178.00 177.30 1wry s SER 119 N -6.36 -0.50 -0.25 1.44 0.01 -1.26 -5.14 113.70 101.63 1wry s SER 119 Ca 0.02 0.70 -0.03 0.00 1.31 0.00 0.00 55.95 57.96 1wry s SER 119 Cb 0.09 1.53 0.14 0.00 0.21 0.00 0.00 66.02 67.99 1wry s SER 119 CO 0.69 -0.10 0.42 -0.44 0.41 0.00 0.00 173.24 174.22 1wry s SER 120 N 2.25 -0.06 0.00 2.44 0.01 -1.26 -4.58 113.70 112.50 1wry s SER 120 Ca -0.03 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1wry s SER 120 Cb -0.05 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.49 1wry s SER 120 CO -0.17 -0.29 0.14 0.61 0.41 0.00 0.00 173.24 173.94