#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 6.69 -0.56 1.61 0.01 -1.26 -4.89 113.70 115.29 1wry s SER 2 Ca 0.00 1.71 -0.26 0.00 1.31 0.00 0.00 55.95 58.70 1wry s SER 2 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 1wry s SER 2 CO 0.00 -0.99 2.44 -0.24 0.41 0.00 0.00 173.24 174.86 1wry n SER 3 N 7.39 2.08 -2.92 2.44 2.88 -1.26 -4.81 113.62 119.44 1wry n SER 3 Ca 0.16 -0.55 -0.27 0.00 -1.33 0.00 0.00 58.87 56.88 1wry n SER 3 Cb 0.45 -1.53 -0.04 0.00 -0.75 0.00 0.00 64.21 62.33 1wry n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wry n GLY 4 N 6.11 5.63 3.15 0.46 0.00 -1.26 -4.93 105.19 114.35 1wry n GLY 4 Ca 0.40 -2.79 0.06 0.00 0.00 0.00 0.00 46.02 43.69 1wry n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wry s SER 5 N -3.48 -0.37 -1.03 1.61 0.15 -1.26 -5.09 113.70 104.23 1wry s SER 5 Ca 0.49 0.15 -0.10 0.00 0.70 0.00 0.00 55.95 57.19 1wry s SER 5 Cb 0.29 1.27 0.26 0.00 -1.71 0.00 0.00 66.02 66.13 1wry s SER 5 CO -0.14 -0.07 1.01 -0.44 1.20 0.00 0.00 173.24 174.80 1wry s SER 6 N 2.96 7.11 0.34 5.45 0.01 -1.26 -4.98 113.70 123.33 1wry s SER 6 Ca 0.09 -3.40 0.02 0.00 1.31 0.00 0.00 55.95 53.97 1wry s SER 6 Cb -0.06 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 1wry s SER 6 CO -0.15 -0.34 0.39 -0.83 0.41 0.00 0.00 173.24 172.71 1wry s GLY 7 N 1.41 1.85 -0.51 3.44 0.00 -1.26 -5.12 107.32 107.13 1wry s GLY 7 Ca 0.28 -1.76 0.04 0.00 0.00 0.00 0.00 44.72 43.27 1wry s GLY 7 CO -0.08 -1.21 0.25 1.06 0.00 0.00 0.00 173.10 173.12 1wry s MET 8 N -3.22 1.97 0.51 2.90 1.00 -1.26 -5.07 119.30 116.12 1wry s MET 8 Ca 0.35 -2.60 -0.19 0.00 0.00 0.00 0.00 55.69 53.24 1wry s MET 8 Cb 0.01 -3.32 -0.07 0.00 0.00 0.00 0.00 34.83 31.45 1wry s MET 8 CO 0.23 -1.10 1.04 0.08 0.00 0.00 0.00 175.02 175.27 1wry s VAL 9 N -0.26 3.83 -0.32 -6.03 1.01 -1.26 -4.85 120.40 112.52 1wry s VAL 9 Ca 0.17 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.24 1wry s VAL 9 Cb -0.26 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.76 1wry s VAL 9 CO -0.00 -0.31 0.02 -0.63 0.00 0.00 0.00 175.10 174.17 1wry s ILE 10 N -2.11 2.47 -0.23 2.22 -1.09 -1.16 -2.12 121.20 119.18 1wry s ILE 10 Ca 0.66 -1.98 -0.10 0.00 -2.23 0.00 0.00 60.65 57.01 1wry s ILE 10 Cb -0.16 -2.64 -0.05 0.00 -1.58 0.00 0.00 42.46 38.03 1wry s ILE 10 CO 0.24 -0.38 0.13 -0.13 -1.23 0.00 0.00 174.94 173.58 1wry s ARG 11 N 1.04 4.03 -0.16 2.79 0.52 0.45 0.22 118.95 127.83 1wry s ARG 11 Ca 0.03 -0.30 -0.05 0.00 -0.52 0.00 0.00 55.73 54.89 1wry s ARG 11 Cb -0.20 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 1wry s ARG 11 CO -0.06 0.09 -0.01 0.08 0.02 0.00 0.00 175.30 175.43 1wry s VAL 12 N 0.95 4.18 -0.68 3.52 1.01 0.93 -1.04 120.40 129.27 1wry s VAL 12 Ca 0.07 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1wry s VAL 12 Cb -0.13 -2.85 0.17 0.00 0.00 0.00 0.00 36.38 33.57 1wry s VAL 12 CO 0.03 0.49 0.63 -0.31 0.00 0.00 0.00 175.10 175.94 1wry s TYR 13 N 0.34 3.49 0.33 5.22 1.51 -0.77 0.12 117.35 127.59 1wry s TYR 13 Ca -0.02 -1.61 0.07 0.00 -1.01 0.00 0.00 57.07 54.50 1wry s TYR 13 Cb -0.14 -3.81 -0.02 0.00 -0.11 0.00 0.00 41.96 37.88 1wry s TYR 13 CO 0.02 -1.01 0.32 0.96 -1.11 0.00 0.00 175.55 174.73 1wry s ILE 14 N 0.95 3.66 -0.75 2.71 -4.36 0.21 -3.31 121.20 120.31 1wry s ILE 14 Ca 0.10 -1.30 0.03 0.00 -0.26 0.00 0.00 60.65 59.22 1wry s ILE 14 Cb -0.21 -3.23 0.30 0.00 1.25 0.00 0.00 42.46 40.57 1wry s ILE 14 CO -0.03 -0.18 1.08 0.00 0.24 0.00 0.00 174.94 176.06 1wry n ALA 15 N -1.42 4.73 -1.25 2.27 0.00 -1.26 0.21 120.51 123.79 1wry n ALA 15 Ca -0.02 -4.74 -0.44 0.00 0.00 0.00 0.00 53.44 48.24 1wry n ALA 15 Cb 0.59 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 0.46 -0.93 -1.23 0.00 2.88 -1.26 -0.28 113.62 113.26 1wry n SER 16 Ca 0.32 1.00 -0.11 0.00 -1.33 0.00 0.00 58.87 58.75 1wry n SER 16 Cb 0.37 -0.83 -0.01 0.00 -0.75 0.00 0.00 64.21 62.98 1wry n SER 16 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wry n SER 17 N 1.70 -3.74 -4.47 -3.46 7.64 -1.26 -4.55 113.62 105.47 1wry n SER 17 Ca 0.16 0.03 -0.28 0.00 1.01 0.00 0.00 58.87 59.79 1wry n SER 17 Cb 0.20 -2.88 0.26 0.00 -1.01 0.00 0.00 64.21 60.78 1wry n SER 17 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wry s SER 18 N -2.54 0.76 -0.69 6.43 0.15 0.62 -4.94 113.70 113.49 1wry s SER 18 Ca 0.00 1.54 0.02 0.00 0.70 0.00 0.00 55.95 58.21 1wry s SER 18 Cb 0.00 -2.34 0.37 0.00 -1.71 0.00 0.00 66.02 62.34 1wry s SER 18 CO 0.00 -4.34 1.46 0.61 1.20 0.00 0.00 173.24 172.17 1wry n GLY 19 N 0.97 5.82 3.15 9.45 0.00 -1.26 -4.85 105.19 118.47 1wry n GLY 19 Ca 0.03 -2.66 0.05 0.00 0.00 0.00 0.00 46.02 43.44 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 -2.46 -0.57 0.50 1.61 0.01 -1.26 -5.01 113.70 106.52 1wry s SER 20 Ca 0.48 0.07 0.41 0.00 1.31 0.00 0.00 55.95 58.21 1wry s SER 20 Cb 0.35 1.36 1.60 0.00 0.21 0.00 0.00 66.02 69.54 1wry s SER 20 CO -0.23 -0.10 1.60 0.74 0.41 0.00 0.00 173.24 175.66 1wry h THR 21 N 4.70 0.07 0.43 1.44 2.02 -1.99 0.64 112.91 120.22 1wry h THR 21 Ca -0.08 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1wry h THR 21 Cb 1.18 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1wry h THR 21 CO -0.07 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.42 1wry h ALA 22 N 1.31 -0.90 0.61 6.16 0.00 -1.98 0.17 119.26 124.63 1wry h ALA 22 Ca 0.87 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.61 1wry h ALA 22 Cb 3.17 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 21.52 1wry h ALA 22 CO -0.21 -1.04 -0.51 0.82 0.00 0.00 0.00 179.25 178.31 1wry h ILE 23 N -0.85 0.00 -1.00 0.00 2.04 -0.07 0.57 117.51 118.21 1wry h ILE 23 Ca -0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.96 1wry h ILE 23 Cb 0.75 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.67 1wry h ILE 23 CO -0.05 0.00 -0.43 0.29 0.00 0.00 0.00 178.15 177.96 1wry n LYS 24 N -5.58 -0.28 0.29 2.37 5.02 -0.84 0.17 118.16 119.31 1wry n LYS 24 Ca -0.13 1.53 -0.12 0.00 -2.02 0.00 0.00 58.31 57.57 1wry n LYS 24 Cb 0.48 -2.27 -0.06 0.00 -0.02 0.00 0.00 35.03 33.17 1wry n LYS 24 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1wry h LYS 25 N 0.00 -0.74 -0.95 1.97 3.64 -0.25 0.24 116.57 120.48 1wry h LYS 25 Ca 0.31 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.85 1wry h LYS 25 Cb 0.56 0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 32.41 1wry h LYS 25 CO -0.98 -0.49 -0.51 0.87 -2.27 0.00 0.00 179.45 176.06 1wry h LYS 26 N -0.77 -0.03 0.03 1.90 1.57 0.18 1.29 116.57 120.74 1wry h LYS 26 Ca -0.07 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1wry h LYS 26 Cb 0.60 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1wry h LYS 26 CO 0.11 -0.02 -0.43 1.96 -0.57 0.00 0.00 179.45 180.49 1wry h GLN 27 N -0.03 -0.59 -0.03 3.15 4.20 0.18 0.37 115.11 122.36 1wry h GLN 27 Ca 0.22 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.98 1wry h GLN 27 Cb 0.49 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1wry h GLN 27 CO -0.93 -0.39 0.13 1.96 -0.67 0.00 0.00 178.83 178.93 1wry h GLN 28 N -0.61 0.00 0.06 1.46 4.20 0.22 0.46 115.11 120.89 1wry h GLN 28 Ca 0.04 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.51 1wry h GLN 28 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1wry h GLN 28 CO -0.30 0.00 -1.06 0.22 -0.67 0.00 0.00 178.83 177.02 1wry h ASP 29 N 0.00 0.32 0.78 1.46 1.82 0.54 0.43 116.42 121.77 1wry h ASP 29 Ca 0.01 -0.31 -0.25 0.00 -0.39 0.00 0.00 57.03 56.10 1wry h ASP 29 Cb 0.26 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.15 1wry h ASP 29 CO -0.00 1.18 -1.22 0.58 -1.61 0.00 0.00 179.24 178.17 1wry h VAL 30 N 0.09 1.48 0.02 2.25 2.07 0.22 -3.04 116.25 119.34 1wry h VAL 30 Ca -0.08 -3.17 -0.00 0.00 0.82 0.00 0.00 66.70 64.27 1wry h VAL 30 Cb 1.75 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 34.32 1wry h VAL 30 CO 0.17 0.87 -0.01 -0.07 0.02 0.00 0.00 177.57 178.55 1wry h LEU 31 N 0.02 -0.02 -1.26 2.57 3.38 -0.33 -3.07 115.31 116.61 1wry h LEU 31 Ca -0.11 -0.55 0.27 0.00 0.09 0.00 0.00 57.88 57.58 1wry h LEU 31 Cb 1.88 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.53 1wry h LEU 31 CO 0.14 0.74 0.65 1.23 0.09 0.00 0.00 178.44 181.30 1wry h GLY 32 N -0.98 1.42 0.78 0.83 0.00 -0.28 0.21 103.07 105.05 1wry h GLY 32 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1wry h GLY 32 CO 0.00 -0.18 -0.11 -2.75 0.00 0.00 0.00 176.54 173.50 1wry h PHE 33 N 0.43 -0.30 0.00 5.60 3.57 -1.62 0.55 116.94 125.19 1wry h PHE 33 Ca 0.62 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.11 1wry h PHE 33 Cb 1.47 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.31 1wry h PHE 33 CO -0.00 -0.03 0.00 -0.07 -2.23 0.00 0.00 178.31 175.98 1wry h LEU 34 N -0.54 0.00 0.10 0.59 3.38 -0.94 0.38 115.31 118.28 1wry h LEU 34 Ca -0.03 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 1wry h LEU 34 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wry h LEU 34 CO 0.05 0.00 -1.24 -0.33 0.09 0.00 0.00 178.44 177.02 1wry h GLU 35 N 0.00 0.21 -0.10 1.13 5.08 -0.08 0.86 114.58 121.68 1wry h GLU 35 Ca 0.00 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 57.88 1wry h GLU 35 Cb 0.15 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1wry h GLU 35 CO 0.00 1.18 -0.45 0.00 -1.00 0.00 0.00 179.01 178.73 1wry h ALA 36 N -0.06 1.05 -0.15 3.43 0.00 0.79 -1.70 119.26 122.62 1wry h ALA 36 Ca -0.27 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1wry h ALA 36 Cb 1.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1wry h ALA 36 CO 0.04 0.62 0.00 0.09 0.00 0.00 0.00 179.25 180.01 1wry n ASN 37 N -3.99 1.28 -4.13 0.00 3.02 0.13 -4.90 115.26 106.67 1wry n ASN 37 Ca -0.02 -1.69 -0.29 0.00 -0.03 0.00 0.00 54.58 52.55 1wry n ASN 37 Cb 0.51 -0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.08 -2.48 -3.09 3.52 5.02 -0.64 -4.91 118.16 115.67 1wry n LYS 38 Ca 0.15 0.30 -0.32 0.00 -2.02 0.00 0.00 58.31 56.42 1wry n LYS 38 Cb 0.26 -4.35 -0.05 0.00 -0.02 0.00 0.00 35.03 30.87 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 -3.95 4.74 -1.35 -0.18 1.01 0.29 -4.98 121.20 116.79 1wry s ILE 39 Ca 0.15 0.79 -0.11 0.00 0.00 0.00 0.00 60.65 61.47 1wry s ILE 39 Cb -0.08 -3.65 0.12 0.00 0.01 0.00 0.00 42.46 38.86 1wry s ILE 39 CO 0.93 -0.28 1.99 0.61 0.00 0.00 0.00 174.94 178.20 1wry n GLY 40 N -0.63 4.55 3.93 6.18 0.00 -1.26 -4.77 105.19 113.19 1wry n GLY 40 Ca 0.03 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.92 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 1.54 1.87 0.06 1.61 -0.71 -1.26 -2.98 117.98 118.11 1wry s PHE 41 Ca 0.43 -0.72 0.03 0.00 -1.04 0.00 0.00 56.93 55.64 1wry s PHE 41 Cb 0.11 -2.06 -0.03 0.00 -1.21 0.00 0.00 43.02 39.83 1wry s PHE 41 CO -0.03 -0.54 -0.10 -1.21 -1.34 0.00 0.00 175.22 172.00 1wry s GLU 42 N -4.33 0.69 -0.27 1.99 0.41 0.59 -4.86 118.70 112.92 1wry s GLU 42 Ca 0.45 -0.91 -0.08 0.00 -0.41 0.00 0.00 54.97 54.02 1wry s GLU 42 Cb -0.03 -0.52 -0.02 0.00 -1.78 0.00 0.00 34.13 31.78 1wry s GLU 42 CO 0.27 0.10 0.08 -1.21 -0.49 0.00 0.00 175.26 174.02 1wry s GLU 43 N -1.91 3.50 -0.33 1.61 2.02 -1.26 -0.05 118.70 122.28 1wry s GLU 43 Ca -0.04 -0.58 -0.00 0.00 0.02 0.00 0.00 54.97 54.37 1wry s GLU 43 Cb -0.08 -3.37 0.08 0.00 0.10 0.00 0.00 34.13 30.86 1wry s GLU 43 CO 0.01 -0.27 0.05 0.15 0.02 0.00 0.00 175.26 175.22 1wry s LYS 44 N 1.59 2.08 -0.16 1.61 -0.14 0.33 -4.93 119.74 120.12 1wry s LYS 44 Ca 0.05 -1.56 -0.29 0.00 -1.36 0.00 0.00 55.97 52.82 1wry s LYS 44 Cb -0.16 -3.25 -0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1wry s LYS 44 CO 0.04 -0.80 1.00 0.34 -0.76 0.00 0.00 175.35 175.16 1wry s ASP 45 N 1.30 7.15 0.02 2.83 2.15 -1.25 0.63 116.67 129.51 1wry s ASP 45 Ca 0.01 1.42 0.23 0.00 0.43 0.00 0.00 52.55 54.65 1wry s ASP 45 Cb -0.20 -2.54 0.16 0.00 -0.30 0.00 0.00 42.92 40.04 1wry s ASP 45 CO -0.04 -0.53 1.15 2.30 -0.17 0.00 0.00 175.17 177.88 1wry n ILE 46 N 4.87 0.08 -1.53 4.11 -5.35 0.55 -3.74 119.36 118.35 1wry n ILE 46 Ca 0.09 -0.10 -0.28 0.00 -0.27 0.00 0.00 62.75 62.19 1wry n ILE 46 Cb 0.48 0.38 -0.05 0.00 -1.74 0.00 0.00 39.64 38.71 1wry n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wry n ALA 47 N -1.64 6.47 0.02 -1.28 0.00 -1.26 -4.30 120.51 118.52 1wry n ALA 47 Ca 0.04 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.34 1wry n ALA 47 Cb 0.38 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1wry n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wry n ALA 48 N 0.84 0.00 -3.09 0.00 0.00 -1.26 -4.84 120.51 112.16 1wry n ALA 48 Ca 0.49 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.48 1wry n ALA 48 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 1wry n ALA 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wry s ASN 49 N -1.25 6.65 0.24 0.00 2.47 -1.25 -4.88 114.94 116.92 1wry s ASN 49 Ca 0.00 -2.24 -0.05 0.00 0.42 0.00 0.00 52.86 50.99 1wry s ASN 49 Cb 0.00 -2.32 0.43 0.00 -1.45 0.00 0.00 41.25 37.91 1wry s ASN 49 CO 0.00 -0.88 1.71 1.05 -3.72 0.00 0.00 177.10 175.25 1wry h GLU 50 N 8.47 0.34 -0.82 0.43 4.11 -1.88 -0.00 114.58 125.22 1wry h GLU 50 Ca 0.10 -0.02 0.32 0.00 0.07 0.00 0.00 59.36 59.83 1wry h GLU 50 Cb 1.04 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.06 1wry h GLU 50 CO 0.97 0.22 0.35 -0.85 0.07 0.00 0.00 179.01 179.77 1wry n GLU 51 N -5.08 -0.05 0.15 1.06 0.28 -1.26 0.20 120.64 115.94 1wry n GLU 51 Ca 0.13 1.15 -0.12 0.00 -0.16 0.00 0.00 57.16 58.16 1wry n GLU 51 Cb 0.42 -2.01 -0.07 0.00 1.43 0.00 0.00 31.44 31.20 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 -0.37 -0.50 -1.84 4.21 -1.33 0.33 115.58 116.08 1wry h ASN 52 Ca 0.65 -0.18 0.05 0.00 1.21 0.00 0.00 56.30 58.03 1wry h ASN 52 Cb 1.66 0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 38.90 1wry h ASN 52 CO -0.66 0.06 0.23 -0.09 -1.29 0.00 0.00 177.43 175.68 1wry h ARG 53 N -0.88 0.44 0.21 0.81 2.43 0.13 0.66 114.38 118.18 1wry h ARG 53 Ca -0.04 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1wry h ARG 53 Cb 0.52 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1wry h ARG 53 CO 0.07 0.29 -0.12 -0.22 -1.51 0.00 0.00 179.97 178.49 1wry h LYS 54 N 0.45 -0.29 -0.62 0.20 3.64 0.23 1.22 116.57 121.40 1wry h LYS 54 Ca 0.23 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.74 1wry h LYS 54 Cb 0.17 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 31.94 1wry h LYS 54 CO -0.18 -0.19 -0.32 2.35 -2.27 0.00 0.00 179.45 178.83 1wry h TRP 55 N -0.30 -0.89 -0.98 1.91 7.01 -0.82 0.76 115.95 122.64 1wry h TRP 55 Ca -0.03 0.07 0.11 0.00 2.11 0.00 0.00 58.89 61.16 1wry h TRP 55 Cb 0.24 0.48 -0.08 0.00 -2.10 0.00 0.00 29.16 27.70 1wry h TRP 55 CO 0.11 -0.38 0.61 1.98 -2.79 0.00 0.00 178.44 177.97 1wry h MET 56 N -0.14 0.95 -0.20 2.65 4.05 0.47 0.48 114.93 123.18 1wry h MET 56 Ca 0.25 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.56 1wry h MET 56 Cb 0.55 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1wry h MET 56 CO -0.70 0.63 -0.12 0.00 0.23 0.00 0.00 176.91 176.95 1wry h ARG 57 N 0.98 0.32 0.00 0.39 3.08 0.76 0.26 114.38 120.16 1wry h ARG 57 Ca 0.48 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 1wry h ARG 57 Cb 0.45 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1wry h ARG 57 CO -0.26 0.44 -0.35 0.93 -1.07 0.00 0.00 179.97 179.66 1wry h GLU 58 N 0.30 0.00 0.00 0.04 5.08 0.22 -3.34 114.58 116.88 1wry h GLU 58 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1wry h GLU 58 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1wry h GLU 58 CO 0.02 0.04 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.04 1wry h ASN 59 N 0.00 0.00 -1.35 1.42 -0.26 0.78 -3.46 115.58 112.72 1wry h ASN 59 Ca -0.00 -0.40 -0.74 0.00 -0.56 0.00 0.00 56.30 54.59 1wry h ASN 59 Cb 1.04 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 38.35 1wry h ASN 59 CO 0.01 0.77 0.34 0.52 -1.06 0.00 0.00 177.43 178.00 1wry n VAL 60 N -4.68 0.02 -2.13 2.81 0.31 0.82 -4.89 118.33 110.58 1wry n VAL 60 Ca -0.06 -0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.94 1wry n VAL 60 Cb 0.24 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 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 0.67 3.44 0.24 5.55 0.04 -1.26 -4.85 135.00 138.83 1wry s PRO 61 Ca 0.89 1.19 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 1wry s PRO 61 Cb -1.13 -2.05 0.27 0.00 0.04 0.00 0.00 34.50 31.64 1wry s PRO 61 CO 0.55 -0.71 1.76 1.49 0.04 0.00 0.00 177.00 180.13 1wry h GLU 62 N 0.59 0.93 0.00 4.56 4.81 -1.93 0.46 114.58 124.00 1wry h GLU 62 Ca -0.47 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 1wry h GLU 62 Cb 1.22 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1wry h GLU 62 CO 0.58 0.86 0.00 0.09 -0.73 0.00 0.00 179.01 179.81 1wry n ASN 63 N -4.24 0.19 -0.00 1.04 4.13 -1.26 -1.31 115.26 113.81 1wry n ASN 63 Ca 0.04 0.56 0.05 0.00 1.68 0.00 0.00 54.58 56.91 1wry n ASN 63 Cb 0.27 -0.60 -0.08 0.00 -1.54 0.00 0.00 39.78 37.83 1wry n ASN 63 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wry n SER 64 N -1.73 2.42 -4.67 6.41 7.64 -0.23 -5.02 113.62 118.44 1wry n SER 64 Ca 0.02 -0.07 -0.30 0.00 1.01 0.00 0.00 58.87 59.53 1wry n SER 64 Cb 0.12 1.43 0.16 0.00 -1.01 0.00 0.00 64.21 64.91 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 -2.66 0.89 0.79 1.43 0.52 0.15 -4.94 118.95 115.13 1wry s ARG 65 Ca -0.03 1.05 -0.11 0.00 -0.52 0.00 0.00 55.73 56.12 1wry s ARG 65 Cb 0.07 -1.75 0.07 0.00 0.52 0.00 0.00 34.95 33.85 1wry s ARG 65 CO 0.43 -2.56 1.09 -1.25 0.02 0.00 0.00 175.30 173.04 1wry s PRO 66 N -4.77 2.14 0.57 3.54 0.04 -1.26 -4.86 135.00 130.40 1wry s PRO 66 Ca 0.65 0.65 0.39 0.00 0.04 0.00 0.00 61.00 62.73 1wry s PRO 66 Cb -0.20 -1.92 1.45 0.00 0.04 0.00 0.00 34.50 33.86 1wry s PRO 66 CO 0.59 -1.59 1.59 0.00 0.04 0.00 0.00 177.00 177.63 1wry h ALA 67 N -1.06 3.28 -1.49 8.56 0.00 -1.95 -3.40 119.26 123.20 1wry h ALA 67 Ca -0.47 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.49 1wry h ALA 67 Cb 1.27 0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.90 1wry h ALA 67 CO 0.59 -1.85 0.57 -0.08 0.00 0.00 0.00 179.25 178.49 1wry s THR 68 N -4.74 0.00 0.00 0.00 -1.32 -1.26 -5.16 115.64 103.16 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 0.21 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 1wry s THR 68 CO 0.72 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.74 1wry n GLY 69 N 1.50 -0.86 3.65 6.08 0.00 -1.26 -4.97 105.19 109.33 1wry n GLY 69 Ca -0.11 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.83 1.67 -0.10 1.61 2.02 -1.26 -4.17 117.35 115.28 1wry s TYR 70 Ca 0.00 1.66 -0.30 0.00 -0.37 0.00 0.00 57.07 58.06 1wry s TYR 70 Cb 0.00 -3.27 -0.03 0.00 -0.40 0.00 0.00 41.96 38.26 1wry s TYR 70 CO 0.00 -2.90 1.24 -1.25 -1.57 0.00 0.00 175.55 171.08 1wry s PRO 71 N -4.65 4.29 0.39 -1.71 0.04 -1.26 -4.65 135.00 127.46 1wry s PRO 71 Ca 0.66 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 63.21 1wry s PRO 71 Cb -0.23 -3.66 -0.10 0.00 0.04 0.00 0.00 34.50 30.56 1wry s PRO 71 CO 0.59 -0.58 0.87 -0.51 0.04 0.00 0.00 177.00 177.41 1wry s LEU 72 N 2.83 3.97 0.85 -3.56 1.43 -1.26 -5.02 118.68 117.92 1wry s LEU 72 Ca 0.56 1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 55.06 1wry s LEU 72 Cb -0.24 -4.36 0.10 0.00 0.03 0.00 0.00 46.19 41.73 1wry s LEU 72 CO 0.19 -0.31 1.12 -2.16 0.23 0.00 0.00 176.35 175.41 1wry s PRO 73 N -3.15 1.64 0.84 1.29 0.04 -1.26 -4.61 135.00 129.79 1wry s PRO 73 Ca 0.59 0.47 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 1wry s PRO 73 Cb -0.09 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.66 1wry s PRO 73 CO 0.16 -1.89 1.11 -1.25 0.04 0.00 0.00 177.00 175.17 1wry s PRO 74 N -5.22 1.72 -0.17 0.56 0.04 -1.26 -4.87 135.00 125.81 1wry s PRO 74 Ca 0.62 0.51 -0.04 0.00 0.04 0.00 0.00 61.00 62.13 1wry s PRO 74 Cb -0.15 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1wry s PRO 74 CO 0.54 -1.84 0.07 -0.65 0.04 0.00 0.00 177.00 175.16 1wry s GLN 75 N -5.20 0.25 -0.02 4.56 -1.52 -1.21 -3.88 119.66 112.63 1wry s GLN 75 Ca 0.62 -0.16 -0.30 0.00 -1.95 0.00 0.00 55.36 53.57 1wry s GLN 75 Cb -0.15 -1.83 -0.04 0.00 -0.22 0.00 0.00 33.01 30.78 1wry s GLN 75 CO 0.54 -0.63 1.14 0.42 -0.25 0.00 0.00 175.29 176.50 1wry s ILE 76 N 2.05 4.37 -0.04 1.08 1.09 0.15 -1.85 121.20 128.05 1wry s ILE 76 Ca 0.01 1.69 -0.02 0.00 -1.10 0.00 0.00 60.65 61.24 1wry s ILE 76 Cb -0.16 -4.09 0.03 0.00 -1.06 0.00 0.00 42.46 37.19 1wry s ILE 76 CO -0.08 0.05 0.09 -0.36 -0.10 0.00 0.00 174.94 174.54 1wry s PHE 77 N 1.71 -0.08 -0.56 3.97 0.08 -0.20 -2.66 117.98 120.23 1wry s PHE 77 Ca 0.55 0.32 -0.13 0.00 0.12 0.00 0.00 56.93 57.79 1wry s PHE 77 Cb -0.24 -0.14 0.14 0.00 -0.57 0.00 0.00 43.02 42.21 1wry s PHE 77 CO 0.24 -0.13 0.49 1.21 -0.10 0.00 0.00 175.22 176.93 1wry s ASN 78 N 1.06 6.08 0.00 1.36 3.84 0.35 0.17 114.94 127.80 1wry s ASN 78 Ca -0.08 -1.99 0.00 0.00 0.21 0.00 0.00 52.86 51.00 1wry s ASN 78 Cb -0.11 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 1wry s ASN 78 CO -0.04 -0.75 0.00 -0.62 -2.79 0.00 0.00 177.10 172.89 1wry n GLU 79 N 4.91 0.00 -0.15 0.43 1.02 -0.90 0.50 120.64 126.45 1wry n GLU 79 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1wry n GLU 79 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 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 1.20 0.00 -4.55 1.62 3.41 -1.26 -4.94 113.62 109.10 1wry n SER 80 Ca 0.00 -1.27 -0.32 0.00 -0.26 0.00 0.00 58.87 57.01 1wry n SER 80 Cb 0.00 -0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 63.78 1wry n SER 80 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1wry s GLN 81 N 0.00 2.52 -0.34 4.33 0.74 0.18 -5.10 119.66 122.00 1wry s GLN 81 Ca 0.00 -0.71 -0.16 0.00 0.05 0.00 0.00 55.36 54.54 1wry s GLN 81 Cb 0.00 -2.46 -0.01 0.00 1.10 0.00 0.00 33.01 31.64 1wry s GLN 81 CO 0.00 0.61 0.42 -0.47 -0.55 0.00 0.00 175.29 175.30 1wry s TYR 82 N -0.89 3.20 -0.17 1.67 6.14 -1.26 0.13 117.35 126.17 1wry s TYR 82 Ca 0.15 0.06 -0.18 0.00 0.64 0.00 0.00 57.07 57.73 1wry s TYR 82 Cb -0.11 -2.76 -0.15 0.00 0.42 0.00 0.00 41.96 39.36 1wry s TYR 82 CO 0.04 -0.47 0.22 0.00 0.64 0.00 0.00 175.55 175.99 1wry h ARG 83 N 8.45 0.00 0.00 4.97 2.47 -1.82 -3.48 114.38 124.97 1wry h ARG 83 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1wry h ARG 83 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1wry h ARG 83 CO 0.72 0.69 0.00 0.41 0.56 0.00 0.00 179.97 182.35 1wry n GLY 84 N 1.54 -0.73 0.54 0.04 0.00 -1.21 -5.02 105.19 100.35 1wry n GLY 84 Ca -0.19 -0.91 -0.05 0.00 0.00 0.00 0.00 46.02 44.87 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 0.41 2.04 -0.37 1.61 5.75 -1.26 0.34 116.55 125.06 1wry n ASP 85 Ca 0.00 -1.33 0.29 0.00 -0.01 0.00 0.00 54.79 53.74 1wry n ASP 85 Cb 0.00 0.07 0.56 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 1.05 0.68 0.50 2.11 5.03 -1.93 0.72 116.97 125.12 1wry h TYR 86 Ca -0.06 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 1wry h TYR 86 Cb 0.19 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.29 1wry h TYR 86 CO 0.00 -0.12 -0.24 -0.44 -1.32 0.00 0.00 178.16 176.04 1wry h ASP 87 N 0.24 -0.57 -0.26 -2.11 3.32 -1.94 0.13 116.42 115.23 1wry h ASP 87 Ca 0.73 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.74 1wry h ASP 87 Cb 1.99 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 41.68 1wry h ASP 87 CO -0.44 -0.37 0.07 0.00 -1.72 0.00 0.00 179.24 176.79 1wry h ALA 88 N -0.26 1.50 -0.60 3.45 0.00 -0.80 0.76 119.26 123.31 1wry h ALA 88 Ca -0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1wry h ALA 88 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1wry h ALA 88 CO 0.11 0.37 0.19 0.35 0.00 0.00 0.00 179.25 180.28 1wry h PHE 89 N 0.49 0.92 0.01 0.00 3.57 0.68 -0.04 116.94 122.57 1wry h PHE 89 Ca 0.11 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1wry h PHE 89 Cb 0.20 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1wry h PHE 89 CO 0.01 0.74 -0.01 0.35 -2.23 0.00 0.00 178.31 177.17 1wry h PHE 90 N 0.88 -0.01 0.08 0.41 3.04 0.11 -2.97 116.94 118.47 1wry h PHE 90 Ca 0.20 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.17 1wry h PHE 90 Cb 0.25 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.71 1wry h PHE 90 CO 0.02 0.79 -0.35 1.49 -2.02 0.00 0.00 178.31 178.23 1wry h GLU 91 N -0.88 -0.54 -0.30 1.11 4.81 -0.84 0.59 114.58 118.54 1wry h GLU 91 Ca -0.00 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1wry h GLU 91 Cb 0.81 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1wry h GLU 91 CO 0.00 -0.36 0.33 0.00 -0.73 0.00 0.00 179.01 178.26 1wry h ALA 92 N 0.06 1.97 0.11 2.92 0.00 -1.14 0.12 119.26 123.30 1wry h ALA 92 Ca 0.04 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1wry h ALA 92 Cb 0.61 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.44 1wry h ALA 92 CO -0.23 -0.49 -0.77 -0.09 0.00 0.00 0.00 179.25 177.67 1wry h ARG 93 N 0.00 0.34 -0.86 0.00 2.43 -0.40 1.18 114.38 117.07 1wry h ARG 93 Ca 0.14 -0.50 0.02 0.00 -0.81 0.00 0.00 59.98 58.83 1wry h ARG 93 Cb 0.81 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 1wry h ARG 93 CO -0.00 1.21 0.57 0.93 -1.51 0.00 0.00 179.97 181.17 1wry h GLU 94 N -0.29 1.10 -0.14 0.20 5.08 0.25 0.27 114.58 121.05 1wry h GLU 94 Ca -0.13 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1wry h GLU 94 Cb 1.56 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1wry h GLU 94 CO 0.15 0.73 0.00 0.09 -1.00 0.00 0.00 179.01 178.97 1wry n ASN 95 N -4.42 0.86 -3.83 1.42 3.02 -0.18 -4.89 115.26 107.24 1wry n ASN 95 Ca 0.10 -1.84 -0.28 0.00 -0.03 0.00 0.00 54.58 52.54 1wry n ASN 95 Cb 0.05 -0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.10 -2.32 -2.45 6.41 3.02 0.95 -4.88 115.26 115.89 1wry n ASN 96 Ca 0.09 -1.00 -0.01 0.00 -0.03 0.00 0.00 54.58 53.64 1wry n ASN 96 Cb 0.16 -3.25 0.06 0.00 -0.61 0.00 0.00 39.78 36.14 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 -4.32 2.75 0.39 5.41 0.00 0.39 -4.31 120.51 120.82 1wry n ALA 97 Ca -0.23 -1.98 -0.16 0.00 0.00 0.00 0.00 53.44 51.07 1wry n ALA 97 Cb 0.65 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 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 5.25 0.00 -0.93 0.00 2.07 -1.46 -0.95 116.25 120.23 1wry h VAL 98 Ca -0.28 -0.25 0.27 0.00 0.82 0.00 0.00 66.70 67.25 1wry h VAL 98 Cb 1.38 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.98 1wry h VAL 98 CO 0.02 0.00 0.17 1.88 0.02 0.00 0.00 177.57 179.66 1wry h TYR 99 N -1.28 0.22 -0.58 1.57 0.05 -1.88 1.19 116.97 116.25 1wry h TYR 99 Ca -0.10 0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 1wry h TYR 99 Cb 0.78 0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.56 1wry h TYR 99 CO 0.00 -0.34 0.15 0.00 -1.05 0.00 0.00 178.16 176.92 1wry h ALA 100 N 1.89 0.76 0.00 3.88 0.00 -1.69 1.20 119.26 125.30 1wry h ALA 100 Ca 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1wry h ALA 100 Cb 1.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wry h ALA 100 CO -0.78 0.46 0.00 0.34 0.00 0.00 0.00 179.25 179.27 1wry n PHE 101 N -4.38 0.32 0.27 0.00 7.35 0.38 -1.00 117.46 120.40 1wry n PHE 101 Ca 0.03 0.14 0.04 0.00 -0.76 0.00 0.00 57.45 56.90 1wry n PHE 101 Cb 0.23 -0.72 0.05 0.00 0.35 0.00 0.00 39.48 39.40 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 -1.80 1.92 -1.16 -2.13 4.77 0.44 -4.82 117.00 114.22 1wry n LEU 102 Ca 0.02 -1.19 -0.14 0.00 -0.03 0.00 0.00 56.01 54.67 1wry n LEU 102 Cb 0.15 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1wry n LEU 102 CO 0.13 0.41 -0.14 0.61 -1.33 0.00 0.00 177.39 177.06 1wry n GLY 103 N 0.46 1.17 3.72 -0.72 0.00 0.45 -4.92 105.19 105.35 1wry n GLY 103 Ca 0.06 -0.36 -0.20 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 -1.66 0.00 -4.64 0.99 4.77 0.39 -4.83 117.00 112.02 1wry n LEU 104 Ca -0.14 -2.27 -0.32 0.00 -0.03 0.00 0.00 56.01 53.25 1wry n LEU 104 Cb 0.49 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 1wry n LEU 104 CO 0.21 -0.79 -0.35 -0.89 -1.33 0.00 0.00 177.39 174.23 1wry s THR 105 N -2.60 3.88 0.22 -5.08 2.01 -1.26 -4.15 115.64 108.66 1wry s THR 105 Ca 0.60 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.74 1wry s THR 105 Cb -0.04 -2.74 -0.07 0.00 0.01 0.00 0.00 72.50 69.66 1wry s THR 105 CO 0.39 0.32 0.52 0.00 -0.69 0.00 0.00 174.62 175.15 1wry s ALA 106 N -1.10 3.62 0.52 7.40 0.00 -1.26 -4.97 121.76 125.97 1wry s ALA 106 Ca 0.20 -0.38 -0.19 0.00 0.00 0.00 0.00 51.96 51.59 1wry s ALA 106 Cb -0.11 -2.35 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 1wry s ALA 106 CO 0.11 0.49 1.04 -1.25 0.00 0.00 0.00 175.76 176.15 1wry s PRO 107 N -2.92 3.67 -0.90 0.00 0.04 -1.26 -4.90 135.00 128.72 1wry s PRO 107 Ca 0.46 1.30 -0.07 0.00 0.04 0.00 0.00 61.00 62.72 1wry s PRO 107 Cb -0.11 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1wry s PRO 107 CO 0.23 -0.53 2.58 -0.35 0.04 0.00 0.00 177.00 178.97 1wry n PRO 108 N -1.30 2.45 0.00 0.56 -0.04 -1.26 -2.86 135.00 132.54 1wry n PRO 108 Ca 0.09 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 1wry n PRO 108 Cb 0.53 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 3.40 0.00 3.06 0.55 0.00 -1.26 -5.12 105.19 105.83 1wry n GLY 109 Ca 0.52 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 1wry n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wry n SER 110 N 0.00 0.79 -0.02 1.61 3.41 -1.14 -5.03 113.62 113.24 1wry n SER 110 Ca 0.00 -3.01 -0.08 0.00 -0.26 0.00 0.00 58.87 55.53 1wry n SER 110 Cb 0.00 1.08 0.10 0.00 -0.26 0.00 0.00 64.21 65.13 1wry n SER 110 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1wry h LYS 111 N 0.00 0.61 -0.61 4.33 1.63 -1.93 0.13 116.57 120.73 1wry h LYS 111 Ca -0.28 -0.30 -0.00 0.00 -0.85 0.00 0.00 60.65 59.22 1wry h LYS 111 Cb 1.12 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.72 1wry h LYS 111 CO 0.43 0.89 0.38 0.93 -3.45 0.00 0.00 179.45 178.63 1wry h GLU 112 N 0.51 0.82 0.05 1.90 4.39 -1.91 1.44 114.58 121.78 1wry h GLU 112 Ca 0.05 -0.06 -0.26 0.00 0.34 0.00 0.00 59.36 59.43 1wry h GLU 112 Cb 0.88 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1wry h GLU 112 CO 0.08 0.56 -1.28 0.00 -1.16 0.00 0.00 179.01 177.21 1wry h ALA 113 N 1.58 0.35 0.32 3.43 0.00 -1.70 -3.36 119.26 119.88 1wry h ALA 113 Ca 0.22 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.07 1wry h ALA 113 Cb -0.05 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wry h ALA 113 CO -0.04 1.23 -0.15 0.93 0.00 0.00 0.00 179.25 181.21 1wry h GLU 114 N 0.03 -0.41 -5.26 0.00 4.39 0.12 -3.43 114.58 110.02 1wry h GLU 114 Ca -0.13 0.03 -0.56 0.00 0.34 0.00 0.00 59.36 59.04 1wry h GLU 114 Cb 1.90 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 30.57 1wry h GLU 114 CO 0.14 -0.21 1.65 1.33 -1.16 0.00 0.00 179.01 180.77 1wry n VAL 115 N -5.06 0.00 -3.62 3.13 0.24 0.49 -4.76 118.33 108.75 1wry n VAL 115 Ca -0.06 -0.03 -0.03 0.00 -2.04 0.00 0.00 64.34 62.18 1wry n VAL 115 Cb 0.20 -0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 31.96 1wry n VAL 115 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1wry s SER 116 N 8.40 -0.07 0.00 -1.34 0.01 -1.26 -4.92 113.70 114.51 1wry s SER 116 Ca 1.31 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1wry s SER 116 Cb -1.28 0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.03 1wry s SER 116 CO 0.52 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1wry n GLY 117 N -0.05 1.39 3.69 3.44 0.00 -1.26 -5.05 105.19 107.34 1wry n GLY 117 Ca 0.03 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 1wry n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wry s PRO 118 N -0.48 4.35 -0.47 1.61 0.04 -1.26 -4.06 135.00 134.72 1wry s PRO 118 Ca 0.00 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 1wry s PRO 118 Cb 0.00 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 31.01 1wry s PRO 118 CO 0.00 -0.44 0.60 0.45 0.04 0.00 0.00 177.00 177.64 1wry n SER 119 N 5.14 -7.75 -4.60 6.66 2.88 -1.26 -5.05 113.62 109.64 1wry n SER 119 Ca 0.11 0.42 -0.27 0.00 -1.33 0.00 0.00 58.87 57.79 1wry n SER 119 Cb 0.46 -5.26 -0.11 0.00 -0.75 0.00 0.00 64.21 58.56 1wry n SER 119 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wry s SER 120 N -2.63 3.82 0.00 -3.46 0.15 -1.26 -5.29 113.70 105.03 1wry s SER 120 Ca 0.20 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.51 1wry s SER 120 Cb -0.06 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1wry s SER 120 CO 0.74 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.38