#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 -7.79 -4.87 1.61 7.64 -1.26 -5.00 113.62 103.95 1wry n SER 2 Ca 0.00 1.17 -0.21 0.00 1.01 0.00 0.00 58.87 60.84 1wry n SER 2 Cb 0.00 -4.23 -0.03 0.00 -1.01 0.00 0.00 64.21 58.94 1wry n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wry s SER 3 N -3.47 5.56 0.00 6.43 0.15 -1.26 -5.08 113.70 116.03 1wry s SER 3 Ca 0.00 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1wry s SER 3 Cb 0.00 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 1wry s SER 3 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1wry n GLY 4 N -1.33 1.46 2.18 9.45 0.00 -1.26 -5.15 105.19 110.54 1wry n GLY 4 Ca -0.05 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1wry n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wry n SER 5 N 0.00 -8.89 -4.74 1.61 7.64 -1.26 -4.85 113.62 103.13 1wry n SER 5 Ca 0.00 1.62 -0.42 0.00 1.01 0.00 0.00 58.87 61.09 1wry n SER 5 Cb 0.00 -4.86 -0.02 0.00 -1.01 0.00 0.00 64.21 58.31 1wry n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wry s SER 6 N -0.54 6.54 0.00 6.43 1.04 -1.26 -4.78 113.70 121.13 1wry s SER 6 Ca 0.00 2.76 0.00 0.00 0.48 0.00 0.00 55.95 59.19 1wry s SER 6 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1wry s SER 6 CO 0.00 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1wry n GLY 7 N 2.59 -1.09 2.77 7.32 0.00 -1.26 -5.12 105.19 110.41 1wry n GLY 7 Ca 0.09 0.59 -0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -3.18 -2.40 1.61 2.00 -1.26 -4.92 117.12 108.96 1wry n MET 8 Ca 0.00 2.60 -0.40 0.00 0.00 0.00 0.00 57.70 59.90 1wry n MET 8 Cb 0.00 -4.85 -0.04 0.00 0.00 0.00 0.00 33.22 28.33 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 -1.51 3.34 -0.42 2.03 1.01 -1.26 -4.95 120.40 118.63 1wry s VAL 9 Ca -0.01 1.30 -0.09 0.00 0.00 0.00 0.00 61.98 63.18 1wry s VAL 9 Cb 0.00 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.65 1wry s VAL 9 CO 0.69 0.28 0.27 -0.63 0.00 0.00 0.00 175.10 175.71 1wry s ILE 10 N -1.22 4.26 -0.20 2.22 -1.09 -1.08 -1.53 121.20 122.57 1wry s ILE 10 Ca 0.47 -1.41 -0.09 0.00 -2.23 0.00 0.00 60.65 57.39 1wry s ILE 10 Cb -0.33 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1wry s ILE 10 CO 0.42 -0.52 0.12 -0.13 -1.23 0.00 0.00 174.94 173.60 1wry s ARG 11 N 1.43 4.11 -0.07 2.79 0.52 0.22 0.20 118.95 128.15 1wry s ARG 11 Ca 0.03 -0.26 0.02 0.00 -0.52 0.00 0.00 55.73 55.00 1wry s ARG 11 Cb -0.23 -3.39 -0.02 0.00 0.52 0.00 0.00 34.95 31.83 1wry s ARG 11 CO 0.02 0.24 -0.14 0.08 0.02 0.00 0.00 175.30 175.53 1wry s VAL 12 N 0.50 3.07 -0.59 3.52 1.01 -0.31 0.10 120.40 127.70 1wry s VAL 12 Ca 0.07 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1wry s VAL 12 Cb -0.12 -2.23 0.15 0.00 0.00 0.00 0.00 36.38 34.18 1wry s VAL 12 CO -0.00 0.57 0.50 -0.31 0.00 0.00 0.00 175.10 175.85 1wry s TYR 13 N -0.39 3.46 0.54 5.22 1.51 -0.25 0.83 117.35 128.26 1wry s TYR 13 Ca 0.04 -1.88 0.07 0.00 -1.01 0.00 0.00 57.07 54.29 1wry s TYR 13 Cb -0.12 -3.61 0.07 0.00 -0.11 0.00 0.00 41.96 38.19 1wry s TYR 13 CO 0.02 -0.98 0.58 0.44 -1.11 0.00 0.00 175.55 174.50 1wry n ILE 14 N 4.57 0.00 -3.33 2.71 -5.35 0.51 -3.13 119.36 115.34 1wry n ILE 14 Ca -0.02 -1.98 -0.26 0.00 -0.27 0.00 0.00 62.75 60.23 1wry n ILE 14 Cb 0.42 -0.29 -0.08 0.00 -1.74 0.00 0.00 39.64 37.95 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 -2.13 3.37 -0.28 -1.28 0.00 -1.26 0.23 120.51 119.16 1wry n ALA 15 Ca -0.15 -4.18 0.15 0.00 0.00 0.00 0.00 53.44 49.27 1wry n ALA 15 Cb 0.59 -0.86 0.30 0.00 0.00 0.00 0.00 19.45 19.47 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 1.11 -0.01 -2.17 0.00 2.88 -1.26 0.19 113.62 114.36 1wry n SER 16 Ca 0.26 1.38 -0.18 0.00 -1.33 0.00 0.00 58.87 58.99 1wry n SER 16 Cb 0.46 -0.54 -0.09 0.00 -0.75 0.00 0.00 64.21 63.29 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 -5.09 5.93 -4.56 -3.46 2.88 -1.26 -4.91 113.62 103.16 1wry n SER 17 Ca 0.22 -2.86 -0.26 0.00 -1.33 0.00 0.00 58.87 54.64 1wry n SER 17 Cb 0.73 -1.28 0.12 0.00 -0.75 0.00 0.00 64.21 63.03 1wry n SER 17 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wry s SER 18 N 1.07 4.07 0.08 -3.46 0.01 0.51 -4.93 113.70 111.06 1wry s SER 18 Ca 0.55 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1wry s SER 18 Cb 0.32 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1wry s SER 18 CO -0.10 -2.06 0.00 0.61 0.41 0.00 0.00 173.24 172.10 1wry n GLY 19 N -3.10 -0.05 3.65 3.44 0.00 -1.26 -5.01 105.19 102.86 1wry n GLY 19 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1wry n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wry n SER 20 N -3.32 3.80 -0.25 1.61 7.64 -1.26 -4.85 113.62 117.00 1wry n SER 20 Ca 0.00 0.81 0.02 0.00 1.01 0.00 0.00 58.87 60.71 1wry n SER 20 Cb 0.15 -1.48 0.15 0.00 -1.01 0.00 0.00 64.21 62.02 1wry n SER 20 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1wry h THR 21 N 5.85 0.81 -0.76 0.44 2.02 -1.99 -1.87 112.91 117.40 1wry h THR 21 Ca -0.48 -0.20 0.10 0.00 0.77 0.00 0.00 66.41 66.61 1wry h THR 21 Cb 1.25 0.19 -0.12 0.00 -1.74 0.00 0.00 68.15 67.73 1wry h THR 21 CO 0.95 0.10 -0.45 0.00 0.37 0.00 0.00 175.52 176.49 1wry h ALA 22 N 1.46 -0.25 0.32 6.16 0.00 -1.99 0.35 119.26 125.31 1wry h ALA 22 Ca 0.37 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.43 1wry h ALA 22 Cb 0.43 1.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1wry h ALA 22 CO -0.30 -0.80 -0.49 0.82 0.00 0.00 0.00 179.25 178.48 1wry h ILE 23 N -0.13 0.05 -0.93 0.00 2.04 -1.69 0.86 117.51 117.70 1wry h ILE 23 Ca 0.22 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.24 1wry h ILE 23 Cb 0.54 0.05 -0.16 0.00 -0.74 0.00 0.00 36.82 36.51 1wry h ILE 23 CO -0.81 0.00 -0.33 0.11 0.00 0.00 0.00 178.15 177.12 1wry h LYS 24 N -0.86 -0.02 0.82 2.37 1.57 -0.62 0.98 116.57 120.80 1wry h LYS 24 Ca -0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1wry h LYS 24 Cb 0.80 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.12 1wry h LYS 24 CO -0.16 -0.01 -0.39 -0.22 -0.57 0.00 0.00 179.45 178.10 1wry h LYS 25 N -0.02 -1.06 -0.90 3.15 3.64 0.39 -0.05 116.57 121.73 1wry h LYS 25 Ca 0.37 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.92 1wry h LYS 25 Cb 0.63 0.24 -0.12 0.00 -0.41 0.00 0.00 32.23 32.57 1wry h LYS 25 CO -0.95 -0.71 -0.55 0.87 -2.27 0.00 0.00 179.45 175.85 1wry h LYS 26 N -1.20 -0.06 -0.63 1.90 1.57 0.27 1.19 116.57 119.61 1wry h LYS 26 Ca -0.11 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1wry h LYS 26 Cb 0.84 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.08 1wry h LYS 26 CO 0.18 -0.04 0.15 1.96 -0.57 0.00 0.00 179.45 181.13 1wry h GLN 27 N -0.07 0.27 0.00 3.15 4.20 0.94 0.60 115.11 124.21 1wry h GLN 27 Ca 0.18 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1wry h GLN 27 Cb 0.47 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1wry h GLN 27 CO -0.89 0.18 -0.11 1.96 -0.67 0.00 0.00 178.83 179.30 1wry h GLN 28 N 0.28 0.00 -0.01 1.46 4.20 0.23 0.27 115.11 121.54 1wry h GLN 28 Ca 0.34 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.88 1wry h GLN 28 Cb 0.51 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1wry h GLN 28 CO -0.42 0.11 -0.76 0.22 -0.67 0.00 0.00 178.83 177.31 1wry h ASP 29 N 0.00 0.12 0.91 1.46 1.82 0.66 0.61 116.42 122.00 1wry h ASP 29 Ca -0.00 -0.09 -0.22 0.00 -0.39 0.00 0.00 57.03 56.32 1wry h ASP 29 Cb 0.35 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.29 1wry h ASP 29 CO 0.01 0.84 -1.12 0.58 -1.61 0.00 0.00 179.24 177.94 1wry h VAL 30 N 0.06 1.57 0.00 2.25 2.07 0.11 -3.00 116.25 119.32 1wry h VAL 30 Ca -0.02 -3.30 -0.01 0.00 0.82 0.00 0.00 66.70 64.19 1wry h VAL 30 Cb 1.34 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 33.90 1wry h VAL 30 CO 0.11 0.90 -0.03 -0.07 0.02 0.00 0.00 177.57 178.49 1wry h LEU 31 N 0.00 0.00 -0.83 2.57 3.38 -0.89 -3.01 115.31 116.53 1wry h LEU 31 Ca -0.06 -0.58 0.20 0.00 0.09 0.00 0.00 57.88 57.53 1wry h LEU 31 Cb 1.81 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.44 1wry h LEU 31 CO 0.12 0.81 0.26 1.23 0.09 0.00 0.00 178.44 180.95 1wry h GLY 32 N -1.00 1.27 0.98 0.83 0.00 0.10 0.33 103.07 105.58 1wry h GLY 32 Ca -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1wry h GLY 32 CO -0.00 -0.26 -0.43 -2.75 0.00 0.00 0.00 176.54 173.09 1wry h PHE 33 N 0.30 -1.12 -0.09 5.60 3.57 -1.64 1.03 116.94 124.58 1wry h PHE 33 Ca 0.50 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 62.00 1wry h PHE 33 Cb 0.92 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 1wry h PHE 33 CO -0.23 -0.69 0.23 -0.07 -2.23 0.00 0.00 178.31 175.32 1wry h LEU 34 N -1.25 0.00 0.06 0.59 3.38 -1.18 0.62 115.31 117.54 1wry h LEU 34 Ca -0.12 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 1wry h LEU 34 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1wry h LEU 34 CO 0.20 0.00 -0.80 -0.33 0.09 0.00 0.00 178.44 177.60 1wry h GLU 35 N 0.00 0.12 0.00 1.13 5.08 0.44 1.13 114.58 122.48 1wry h GLU 35 Ca 0.04 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1wry h GLU 35 Cb 0.51 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1wry h GLU 35 CO -0.00 1.10 -0.23 0.00 -1.00 0.00 0.00 179.01 178.87 1wry h ALA 36 N -0.11 1.40 -0.01 3.43 0.00 0.28 0.19 119.26 124.43 1wry h ALA 36 Ca -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wry h ALA 36 Cb 1.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1wry h ALA 36 CO -0.00 0.29 -0.04 0.09 0.00 0.00 0.00 179.25 179.59 1wry n ASN 37 N -3.94 1.47 -3.84 0.00 3.02 0.20 -4.93 115.26 107.25 1wry n ASN 37 Ca -0.02 -1.43 -0.25 0.00 -0.03 0.00 0.00 54.58 52.85 1wry n ASN 37 Cb 0.31 0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.09 -4.70 -3.30 3.52 5.02 0.05 -4.94 118.16 113.90 1wry n LYS 38 Ca 0.18 0.56 -0.33 0.00 -2.02 0.00 0.00 58.31 56.70 1wry n LYS 38 Cb 0.36 -5.14 -0.06 0.00 -0.02 0.00 0.00 35.03 30.17 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 -3.60 4.82 -1.26 -0.18 1.01 0.39 -4.99 121.20 117.38 1wry s ILE 39 Ca 0.24 0.71 -0.14 0.00 0.00 0.00 0.00 60.65 61.45 1wry s ILE 39 Cb -0.12 -3.64 0.13 0.00 0.01 0.00 0.00 42.46 38.85 1wry s ILE 39 CO 0.84 -0.06 1.63 0.61 0.00 0.00 0.00 174.94 177.96 1wry n GLY 40 N -0.07 3.38 3.88 6.18 0.00 -1.26 -4.74 105.19 112.55 1wry n GLY 40 Ca 0.01 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 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 2.30 1.91 0.07 1.61 -0.71 -1.26 -2.62 117.98 119.27 1wry s PHE 41 Ca 0.46 -0.76 0.05 0.00 -1.04 0.00 0.00 56.93 55.64 1wry s PHE 41 Cb 0.02 -1.96 -0.03 0.00 -1.21 0.00 0.00 43.02 39.84 1wry s PHE 41 CO 0.02 -0.35 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.21 1wry s GLU 42 N -4.21 0.77 -0.35 1.99 0.41 0.54 -4.85 118.70 113.00 1wry s GLU 42 Ca 0.37 -0.93 -0.11 0.00 -0.41 0.00 0.00 54.97 53.89 1wry s GLU 42 Cb -0.02 -0.72 0.01 0.00 -1.78 0.00 0.00 34.13 31.63 1wry s GLU 42 CO 0.22 0.15 0.19 -1.21 -0.49 0.00 0.00 175.26 174.13 1wry s GLU 43 N -1.77 3.02 -0.24 1.61 2.02 -1.26 -1.17 118.70 120.91 1wry s GLU 43 Ca -0.03 -0.95 -0.03 0.00 0.02 0.00 0.00 54.97 53.98 1wry s GLU 43 Cb -0.10 -3.68 0.01 0.00 0.10 0.00 0.00 34.13 30.46 1wry s GLU 43 CO 0.02 -0.60 -0.04 0.15 0.02 0.00 0.00 175.26 174.81 1wry s LYS 44 N 1.58 3.12 -0.17 1.61 -0.14 0.24 -4.96 119.74 121.03 1wry s LYS 44 Ca 0.03 -0.80 -0.19 0.00 -1.36 0.00 0.00 55.97 53.65 1wry s LYS 44 Cb -0.18 -3.02 -0.03 0.00 -1.68 0.00 0.00 37.83 32.91 1wry s LYS 44 CO 0.07 -0.31 0.54 0.34 -0.76 0.00 0.00 175.35 175.23 1wry s ASP 45 N 1.42 6.65 0.08 2.83 2.15 -1.25 0.19 116.67 128.73 1wry s ASP 45 Ca 0.03 0.78 0.23 0.00 0.43 0.00 0.00 52.55 54.01 1wry s ASP 45 Cb -0.15 -2.31 -0.07 0.00 -0.30 0.00 0.00 42.92 40.09 1wry s ASP 45 CO -0.04 -0.14 0.90 2.30 -0.17 0.00 0.00 175.17 178.02 1wry n ILE 46 N 4.29 0.27 0.09 4.11 -5.35 0.63 -4.15 119.36 119.25 1wry n ILE 46 Ca -0.04 -0.40 -0.04 0.00 -0.27 0.00 0.00 62.75 61.99 1wry n ILE 46 Cb 0.51 -0.02 -0.02 0.00 -1.74 0.00 0.00 39.64 38.37 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 2.23 -0.59 -0.27 -1.28 0.00 -1.87 -3.29 119.26 114.19 1wry h ALA 47 Ca 0.00 -0.06 -0.51 0.00 0.00 0.00 0.00 54.91 54.35 1wry h ALA 47 Cb 0.88 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1wry h ALA 47 CO 0.00 -0.58 1.51 0.00 0.00 0.00 0.00 179.25 180.18 1wry n ALA 48 N -2.25 6.80 0.00 0.00 0.00 -1.26 -4.46 120.51 119.34 1wry n ALA 48 Ca -0.03 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.35 1wry n ALA 48 Cb 0.10 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 2.21 0.00 -0.02 0.00 5.03 -1.24 -4.96 115.26 116.28 1wry n ASN 49 Ca 0.58 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.85 1wry n ASN 49 Cb 0.51 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.19 1wry n ASN 49 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 1wry h GLU 50 N 0.00 0.72 -0.96 3.52 9.09 -1.78 -3.21 114.58 121.96 1wry h GLU 50 Ca 0.00 -0.61 0.34 0.00 0.05 0.00 0.00 59.36 59.14 1wry h GLU 50 Cb 0.00 0.14 -0.18 0.00 -1.65 0.00 0.00 28.75 27.06 1wry h GLU 50 CO 0.00 1.22 0.30 -0.85 0.05 0.00 0.00 179.01 179.73 1wry n GLU 51 N -4.00 -0.07 -0.06 1.06 0.28 -1.26 0.28 120.64 116.87 1wry n GLU 51 Ca -0.08 1.38 -0.13 0.00 -0.16 0.00 0.00 57.16 58.16 1wry n GLU 51 Cb 0.73 -2.34 -0.06 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 0.51 -0.30 -1.84 4.21 -1.87 0.12 115.58 116.42 1wry h ASN 52 Ca 0.71 -0.50 -0.03 0.00 1.21 0.00 0.00 56.30 57.68 1wry h ASN 52 Cb 1.73 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 38.78 1wry h ASN 52 CO -0.81 0.91 0.05 -0.09 -1.29 0.00 0.00 177.43 176.20 1wry h ARG 53 N 0.12 0.49 0.35 0.81 2.43 0.24 0.28 114.38 119.11 1wry h ARG 53 Ca 0.02 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1wry h ARG 53 Cb 0.79 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1wry h ARG 53 CO 0.05 0.59 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.72 1wry h LYS 54 N 0.32 -0.46 -0.25 0.20 3.64 0.40 0.48 116.57 120.89 1wry h LYS 54 Ca 0.09 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1wry h LYS 54 Cb 0.34 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 1wry h LYS 54 CO 0.01 -0.31 -0.55 2.35 -2.27 0.00 0.00 179.45 178.68 1wry h TRP 55 N -0.49 -1.66 -0.78 1.91 7.01 -1.03 0.18 115.95 121.08 1wry h TRP 55 Ca -0.05 0.07 0.18 0.00 2.11 0.00 0.00 58.89 61.20 1wry h TRP 55 Cb 0.37 0.76 -0.14 0.00 -2.10 0.00 0.00 29.16 28.05 1wry h TRP 55 CO 0.14 -0.52 0.01 1.98 -2.79 0.00 0.00 178.44 177.25 1wry h MET 56 N -0.50 0.10 -0.70 2.65 4.05 -0.43 0.86 114.93 120.95 1wry h MET 56 Ca 0.05 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.51 1wry h MET 56 Cb 0.65 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.38 1wry h MET 56 CO -0.51 0.06 0.46 0.00 0.23 0.00 0.00 176.91 177.16 1wry h ARG 57 N 0.10 0.78 0.00 0.39 3.08 0.24 0.87 114.38 119.84 1wry h ARG 57 Ca 0.43 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.34 1wry h ARG 57 Cb 0.77 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1wry h ARG 57 CO -0.69 0.52 -0.44 0.93 -1.07 0.00 0.00 179.97 179.22 1wry h GLU 58 N 0.81 0.00 0.00 0.04 5.08 0.33 -3.26 114.58 117.57 1wry h GLU 58 Ca 0.29 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1wry h GLU 58 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1wry h GLU 58 CO -0.08 0.44 -0.22 -0.91 -1.00 0.00 0.00 179.01 177.24 1wry h ASN 59 N 0.00 0.00 -1.07 1.42 2.35 0.16 -3.46 115.58 114.98 1wry h ASN 59 Ca -0.00 -0.62 -0.80 0.00 -0.55 0.00 0.00 56.30 54.33 1wry h ASN 59 Cb 0.99 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.41 1wry h ASN 59 CO 0.06 0.94 0.22 0.52 -1.65 0.00 0.00 177.43 177.52 1wry n VAL 60 N -4.63 0.01 -2.28 2.81 0.31 0.28 -4.87 118.33 109.95 1wry n VAL 60 Ca -0.11 -0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.89 1wry n VAL 60 Cb 0.38 -0.19 -0.01 0.00 -0.91 0.00 0.00 33.84 33.11 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 0.65 3.57 0.43 5.55 0.04 -1.26 -4.87 135.00 139.11 1wry s PRO 61 Ca 0.93 1.25 0.13 0.00 0.04 0.00 0.00 61.00 63.36 1wry s PRO 61 Cb -1.28 -2.07 0.94 0.00 0.04 0.00 0.00 34.50 32.13 1wry s PRO 61 CO 0.61 -0.61 1.96 1.49 0.04 0.00 0.00 177.00 180.49 1wry h GLU 62 N 0.95 0.04 0.00 4.56 4.81 -1.93 0.21 114.58 123.22 1wry h GLU 62 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1wry h GLU 62 Cb 1.22 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1wry h GLU 62 CO 0.58 0.23 0.00 0.09 -0.73 0.00 0.00 179.01 179.19 1wry n ASN 63 N -4.29 0.45 -0.04 1.04 4.13 -1.26 -2.32 115.26 112.97 1wry n ASN 63 Ca -0.02 0.60 -0.00 0.00 1.68 0.00 0.00 54.58 56.84 1wry n ASN 63 Cb 0.26 -0.70 -0.12 0.00 -1.54 0.00 0.00 39.78 37.69 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 -1.99 1.44 -4.71 6.41 7.64 0.10 -5.00 113.62 117.51 1wry n SER 64 Ca 0.03 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.56 1wry n SER 64 Cb 0.23 1.26 0.11 0.00 -1.01 0.00 0.00 64.21 64.79 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 -2.69 1.95 0.89 1.43 0.52 0.52 -4.98 118.95 116.60 1wry s ARG 65 Ca -0.06 1.86 -0.12 0.00 -0.52 0.00 0.00 55.73 56.88 1wry s ARG 65 Cb 0.07 -1.80 0.13 0.00 0.52 0.00 0.00 34.95 33.87 1wry s ARG 65 CO 0.62 -2.00 1.13 -1.25 0.02 0.00 0.00 175.30 173.82 1wry s PRO 66 N -3.88 1.28 0.33 3.54 0.04 -1.26 -4.90 135.00 130.15 1wry s PRO 66 Ca 0.76 0.33 0.08 0.00 0.04 0.00 0.00 61.00 62.22 1wry s PRO 66 Cb -0.32 -1.85 0.94 0.00 0.04 0.00 0.00 34.50 33.31 1wry s PRO 66 CO 0.47 -2.11 1.58 0.00 0.04 0.00 0.00 177.00 176.97 1wry h ALA 67 N -1.44 1.49 -2.11 8.56 0.00 -1.96 -3.40 119.26 120.40 1wry h ALA 67 Ca -0.50 0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1wry h ALA 67 Cb 1.32 0.51 -0.21 0.00 0.00 0.00 0.00 17.79 19.41 1wry h ALA 67 CO 0.62 -0.69 0.08 -0.08 0.00 0.00 0.00 179.25 179.18 1wry s THR 68 N -5.85 0.00 0.00 0.00 -1.32 -1.26 -5.14 115.64 102.07 1wry s THR 68 Ca -0.12 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 1wry s THR 68 Cb 0.31 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1wry s THR 68 CO 0.78 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.79 1wry n GLY 69 N 2.23 -1.77 3.88 6.08 0.00 -1.26 -4.99 105.19 109.35 1wry n GLY 69 Ca -0.15 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.01 3.55 -0.30 1.61 2.02 -1.26 -4.45 117.35 118.50 1wry s TYR 70 Ca 0.00 1.15 -0.29 0.00 -0.37 0.00 0.00 57.07 57.56 1wry s TYR 70 Cb 0.00 -2.72 -0.00 0.00 -0.40 0.00 0.00 41.96 38.83 1wry s TYR 70 CO 0.00 -0.73 1.35 -1.25 -1.57 0.00 0.00 175.55 173.35 1wry s PRO 71 N -5.14 3.87 0.51 -1.71 0.04 -1.26 -4.65 135.00 126.66 1wry s PRO 71 Ca 0.54 1.27 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 1wry s PRO 71 Cb -0.11 -3.91 -0.07 0.00 0.04 0.00 0.00 34.50 30.45 1wry s PRO 71 CO 0.52 -1.18 1.08 -0.51 0.04 0.00 0.00 177.00 176.95 1wry s LEU 72 N 4.57 3.80 0.85 -3.56 1.43 -1.26 -4.99 118.68 119.52 1wry s LEU 72 Ca 0.59 2.05 -0.12 0.00 -1.03 0.00 0.00 54.13 55.62 1wry s LEU 72 Cb -0.17 -4.57 0.10 0.00 0.03 0.00 0.00 46.19 41.58 1wry s LEU 72 CO 0.25 -0.99 1.12 -2.16 0.23 0.00 0.00 176.35 174.79 1wry s PRO 73 N -3.25 1.63 0.88 1.29 0.04 -1.26 -4.62 135.00 129.71 1wry s PRO 73 Ca 0.70 0.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.08 1wry s PRO 73 Cb -0.20 -1.88 0.12 0.00 0.04 0.00 0.00 34.50 32.58 1wry s PRO 73 CO 0.23 -1.90 1.13 -1.25 0.04 0.00 0.00 177.00 175.26 1wry s PRO 74 N -5.22 1.37 -0.16 0.56 0.04 -1.26 -4.88 135.00 125.45 1wry s PRO 74 Ca 0.62 0.37 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 1wry s PRO 74 Cb -0.15 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.59 1wry s PRO 74 CO 0.54 -2.06 0.08 -0.65 0.04 0.00 0.00 177.00 174.95 1wry s GLN 75 N -5.25 0.10 0.02 4.56 -1.52 -1.18 -3.87 119.66 112.52 1wry s GLN 75 Ca 0.63 -0.05 -0.30 0.00 -1.95 0.00 0.00 55.36 53.68 1wry s GLN 75 Cb -0.15 -1.69 -0.04 0.00 -0.22 0.00 0.00 33.01 30.92 1wry s GLN 75 CO 0.53 -0.62 1.06 0.42 -0.25 0.00 0.00 175.29 176.43 1wry s ILE 76 N 2.12 4.58 -0.03 1.08 1.09 -0.44 -1.09 121.20 128.51 1wry s ILE 76 Ca 0.02 1.85 0.00 0.00 -1.10 0.00 0.00 60.65 61.43 1wry s ILE 76 Cb -0.16 -4.19 0.03 0.00 -1.06 0.00 0.00 42.46 37.08 1wry s ILE 76 CO -0.08 0.14 0.01 -0.36 -0.10 0.00 0.00 174.94 174.55 1wry s PHE 77 N 1.04 0.20 -0.63 3.97 0.08 0.11 -3.16 117.98 119.59 1wry s PHE 77 Ca 0.54 0.05 -0.19 0.00 0.12 0.00 0.00 56.93 57.46 1wry s PHE 77 Cb -0.24 -0.35 0.11 0.00 -0.57 0.00 0.00 43.02 41.98 1wry s PHE 77 CO 0.28 -0.12 0.75 1.21 -0.10 0.00 0.00 175.22 177.25 1wry s ASN 78 N 1.06 6.25 0.00 1.36 3.84 0.37 0.72 114.94 128.54 1wry s ASN 78 Ca -0.09 -1.54 0.00 0.00 0.21 0.00 0.00 52.86 51.44 1wry s ASN 78 Cb -0.13 -2.31 0.00 0.00 -0.55 0.00 0.00 41.25 38.26 1wry s ASN 78 CO -0.02 -1.09 0.00 -0.62 -2.79 0.00 0.00 177.10 172.57 1wry n GLU 79 N 6.26 0.00 0.00 0.43 1.02 -0.58 0.18 120.64 127.94 1wry n GLU 79 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1wry n GLU 79 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 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 1.26 0.71 -4.77 1.62 3.41 -1.26 -4.87 113.62 109.73 1wry n SER 80 Ca 0.00 -1.25 -0.22 0.00 -0.26 0.00 0.00 58.87 57.14 1wry n SER 80 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.25 2.48 0.07 4.33 -1.52 0.47 -5.07 119.66 120.17 1wry s GLN 81 Ca 0.00 -1.47 0.05 0.00 -1.95 0.00 0.00 55.36 51.99 1wry s GLN 81 Cb 0.00 -2.27 -0.04 0.00 -0.22 0.00 0.00 33.01 30.48 1wry s GLN 81 CO 0.00 0.10 -0.05 -0.47 -0.25 0.00 0.00 175.29 174.62 1wry s TYR 82 N -2.39 2.88 0.09 0.91 6.14 -1.26 0.14 117.35 123.86 1wry s TYR 82 Ca 0.39 -0.07 0.00 0.00 0.64 0.00 0.00 57.07 58.03 1wry s TYR 82 Cb -0.03 -1.52 0.00 0.00 0.42 0.00 0.00 41.96 40.83 1wry s TYR 82 CO 0.24 0.44 0.00 0.54 0.64 0.00 0.00 175.55 177.41 1wry n ARG 83 N 0.86 0.00 -3.11 4.97 5.12 -1.19 -4.82 116.66 118.49 1wry n ARG 83 Ca -0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 1wry n ARG 83 Cb 0.52 -0.50 0.00 0.00 -1.16 0.00 0.00 32.46 31.33 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 -1.27 1.96 -0.13 0.00 -1.25 -5.05 105.19 102.90 1wry n GLY 84 Ca 0.00 -0.93 -0.13 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 0.33 1.80 -0.39 1.61 5.75 -1.26 -1.33 116.55 123.06 1wry n ASP 85 Ca 0.00 -1.95 0.32 0.00 -0.01 0.00 0.00 54.79 53.15 1wry n ASP 85 Cb 0.00 -0.04 0.62 0.00 -1.03 0.00 0.00 41.12 40.66 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 0.52 0.47 0.62 2.11 5.03 -1.93 0.51 116.97 124.30 1wry h TYR 86 Ca -0.17 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.12 1wry h TYR 86 Cb 0.65 -0.13 0.01 0.00 1.55 0.00 0.00 36.73 38.81 1wry h TYR 86 CO 0.00 -0.06 -0.30 -0.44 -1.32 0.00 0.00 178.16 176.05 1wry h ASP 87 N 0.19 -0.70 -0.17 -2.11 5.19 -1.93 0.84 116.42 117.73 1wry h ASP 87 Ca 0.70 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 57.08 1wry h ASP 87 Cb 2.16 0.18 -0.01 0.00 0.18 0.00 0.00 39.33 41.84 1wry h ASP 87 CO -0.29 -0.43 0.07 0.00 -3.12 0.00 0.00 179.24 175.47 1wry h ALA 88 N -0.61 1.73 -0.72 3.45 0.00 -0.95 -0.03 119.26 122.13 1wry h ALA 88 Ca -0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1wry h ALA 88 Cb 0.67 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1wry h ALA 88 CO 0.14 0.22 0.21 0.35 0.00 0.00 0.00 179.25 180.17 1wry h PHE 89 N 0.30 1.17 -0.00 0.00 3.57 0.25 -0.04 116.94 122.19 1wry h PHE 89 Ca 0.08 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1wry h PHE 89 Cb 0.09 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1wry h PHE 89 CO 0.00 0.93 -0.01 0.35 -2.23 0.00 0.00 178.31 177.36 1wry h PHE 90 N 1.07 0.01 0.12 0.41 3.04 0.13 -2.74 116.94 118.97 1wry h PHE 90 Ca 0.23 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.20 1wry h PHE 90 Cb 0.32 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.79 1wry h PHE 90 CO 0.03 0.67 -0.31 1.49 -2.02 0.00 0.00 178.31 178.17 1wry h GLU 91 N -0.66 -0.51 -0.39 1.11 4.81 -1.01 0.43 114.58 118.37 1wry h GLU 91 Ca -0.00 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1wry h GLU 91 Cb 0.67 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1wry h GLU 91 CO 0.00 -0.34 0.37 0.00 -0.73 0.00 0.00 179.01 178.31 1wry h ALA 92 N 0.14 2.15 0.06 2.92 0.00 -1.10 0.17 119.26 123.61 1wry h ALA 92 Ca 0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1wry h ALA 92 Cb 0.56 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1wry h ALA 92 CO -0.18 -0.57 -0.83 -0.09 0.00 0.00 0.00 179.25 177.58 1wry h ARG 93 N 0.00 0.45 -0.64 0.00 2.43 -0.44 0.72 114.38 116.90 1wry h ARG 93 Ca 0.19 -0.57 -0.02 0.00 -0.81 0.00 0.00 59.98 58.77 1wry h ARG 93 Cb 0.91 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 1wry h ARG 93 CO -0.00 1.22 0.34 0.93 -1.51 0.00 0.00 179.97 180.94 1wry h GLU 94 N -0.06 0.89 -0.30 0.20 5.08 0.25 0.12 114.58 120.77 1wry h GLU 94 Ca -0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1wry h GLU 94 Cb 1.56 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1wry h GLU 94 CO 0.16 0.67 0.00 0.09 -1.00 0.00 0.00 179.01 178.93 1wry n ASN 95 N -4.37 1.40 -3.94 1.42 3.02 -0.11 -4.90 115.26 107.78 1wry n ASN 95 Ca 0.06 -2.03 -0.39 0.00 -0.03 0.00 0.00 54.58 52.19 1wry n ASN 95 Cb 0.11 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.10 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 0.20 -4.03 -1.09 6.41 4.13 0.42 -4.85 115.26 116.46 1wry n ASN 96 Ca 0.08 -1.18 -0.01 0.00 1.68 0.00 0.00 54.58 55.15 1wry n ASN 96 Cb 0.24 -2.37 -0.02 0.00 -1.54 0.00 0.00 39.78 36.08 1wry n ASN 96 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wry n ALA 97 N -4.68 2.87 0.28 5.41 0.00 0.24 -4.28 120.51 120.35 1wry n ALA 97 Ca -0.13 -1.29 -0.16 0.00 0.00 0.00 0.00 53.44 51.86 1wry n ALA 97 Cb 0.59 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.48 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 5.97 0.00 -0.97 0.00 2.07 -1.48 0.52 116.25 122.36 1wry h VAL 98 Ca -0.32 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.52 1wry h VAL 98 Cb 1.56 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.16 1wry h VAL 98 CO -0.08 0.00 0.33 1.88 0.02 0.00 0.00 177.57 179.72 1wry h TYR 99 N -0.93 0.49 -0.51 1.57 0.05 -1.89 1.50 116.97 117.24 1wry h TYR 99 Ca -0.06 0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 1wry h TYR 99 Cb 0.79 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.46 1wry h TYR 99 CO -0.21 -0.37 0.03 0.00 -1.05 0.00 0.00 178.16 176.57 1wry h ALA 100 N 1.93 0.69 0.00 3.88 0.00 -1.54 1.22 119.26 125.45 1wry h ALA 100 Ca 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1wry h ALA 100 Cb 1.64 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1wry h ALA 100 CO -0.77 0.47 0.00 0.34 0.00 0.00 0.00 179.25 179.29 1wry n PHE 101 N -4.34 0.22 0.33 0.00 7.35 0.49 -1.07 117.46 120.44 1wry n PHE 101 Ca 0.01 0.09 0.05 0.00 -0.76 0.00 0.00 57.45 56.84 1wry n PHE 101 Cb 0.30 -0.65 0.05 0.00 0.35 0.00 0.00 39.48 39.53 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 -1.70 1.89 -0.35 -2.13 4.77 0.30 -4.82 117.00 114.95 1wry n LEU 102 Ca 0.02 -1.11 -0.05 0.00 -0.03 0.00 0.00 56.01 54.84 1wry n LEU 102 Cb 0.15 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1wry n LEU 102 CO 0.13 0.39 -0.04 0.61 -1.33 0.00 0.00 177.39 177.14 1wry n GLY 103 N 0.50 0.65 1.97 -0.72 0.00 0.25 -4.96 105.19 102.89 1wry n GLY 103 Ca 0.06 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.53 0.00 -4.56 0.99 4.77 0.40 -4.96 117.00 113.11 1wry n LEU 104 Ca -0.05 -1.00 -0.31 0.00 -0.03 0.00 0.00 56.01 54.62 1wry n LEU 104 Cb 0.30 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 1wry n LEU 104 CO 0.07 -0.80 -0.42 -0.89 -1.33 0.00 0.00 177.39 174.02 1wry s THR 105 N -1.68 3.39 0.26 -5.08 2.01 -1.26 -4.20 115.64 109.08 1wry s THR 105 Ca 0.35 -1.03 -0.14 0.00 0.31 0.00 0.00 61.69 61.18 1wry s THR 105 Cb -0.02 -2.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.91 1wry s THR 105 CO 0.23 0.28 0.66 0.00 -0.69 0.00 0.00 174.62 175.11 1wry s ALA 106 N -1.06 3.43 0.40 7.40 0.00 -1.26 -4.94 121.76 125.73 1wry s ALA 106 Ca 0.18 -0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.86 1wry s ALA 106 Cb -0.11 -2.66 -0.09 0.00 0.00 0.00 0.00 23.12 20.27 1wry s ALA 106 CO 0.09 0.39 1.05 -1.25 0.00 0.00 0.00 175.76 176.05 1wry s PRO 107 N -2.70 4.14 -1.20 0.00 0.04 -1.26 -4.93 135.00 129.09 1wry s PRO 107 Ca 0.49 1.52 -0.20 0.00 0.04 0.00 0.00 61.00 62.85 1wry s PRO 107 Cb -0.12 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 1wry s PRO 107 CO 0.19 -0.17 1.91 -0.35 0.04 0.00 0.00 177.00 178.62 1wry n PRO 108 N -0.12 2.33 0.00 0.56 -0.04 -1.26 -3.27 135.00 133.20 1wry n PRO 108 Ca 0.05 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.84 1wry n PRO 108 Cb 0.50 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 1wry n PRO 108 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wry n GLY 109 N 5.19 0.00 3.36 0.55 0.00 -1.26 -5.13 105.19 107.91 1wry n GLY 109 Ca 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 1wry n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry s SER 110 N 0.00 -0.03 0.17 1.61 0.01 -1.20 -5.01 113.70 109.25 1wry s SER 110 Ca 0.00 -0.74 -0.29 0.00 1.31 0.00 0.00 55.95 56.23 1wry s SER 110 Cb 0.00 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.66 1wry s SER 110 CO 0.00 -0.91 1.54 0.50 0.41 0.00 0.00 173.24 174.78 1wry h LYS 111 N 2.48 -0.02 -0.85 12.44 1.63 -1.96 1.48 116.57 131.77 1wry h LYS 111 Ca -0.31 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.65 1wry h LYS 111 Cb 1.23 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.71 1wry h LYS 111 CO 0.47 -0.01 -0.26 0.93 -3.45 0.00 0.00 179.45 177.13 1wry h GLU 112 N -0.02 -0.02 -0.42 1.90 5.08 -1.91 1.75 114.58 120.94 1wry h GLU 112 Ca 0.18 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1wry h GLU 112 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1wry h GLU 112 CO -0.93 -0.01 -0.08 0.00 -1.00 0.00 0.00 179.01 176.99 1wry h ALA 113 N 1.69 0.58 0.42 3.43 0.00 -0.08 -3.28 119.26 122.01 1wry h ALA 113 Ca 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wry h ALA 113 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wry h ALA 113 CO -0.88 0.43 -0.20 0.93 0.00 0.00 0.00 179.25 179.53 1wry h GLU 114 N 0.62 -0.54 -5.73 0.00 5.08 0.72 -3.43 114.58 111.30 1wry h GLU 114 Ca 0.11 0.04 -0.72 0.00 -1.00 0.00 0.00 59.36 57.78 1wry h GLU 114 Cb 0.60 0.12 0.06 0.00 0.50 0.00 0.00 28.75 30.04 1wry h GLU 114 CO 0.04 -0.36 -0.09 1.33 -1.00 0.00 0.00 179.01 178.93 1wry n VAL 115 N -3.53 0.49 -3.15 3.13 0.24 0.54 -4.92 118.33 111.14 1wry n VAL 115 Ca -0.07 -0.12 0.06 0.00 -2.04 0.00 0.00 64.34 62.17 1wry n VAL 115 Cb 0.22 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.59 1wry n VAL 115 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1wry s SER 116 N -0.25 -0.05 0.00 -1.34 0.15 -1.26 -4.90 113.70 106.05 1wry s SER 116 Ca 0.80 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1wry s SER 116 Cb -1.13 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1wry s SER 116 CO 0.54 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.58 1wry n GLY 117 N 5.08 0.46 3.71 9.45 0.00 -1.26 -5.08 105.19 117.55 1wry n GLY 117 Ca 0.08 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.00 4.45 0.02 1.61 0.04 -1.26 -5.02 135.00 132.84 1wry s PRO 118 Ca 0.00 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 1wry s PRO 118 Cb 0.00 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1wry s PRO 118 CO 0.00 -0.23 0.28 -1.54 0.04 0.00 0.00 177.00 175.55 1wry s SER 119 N 1.06 -0.12 0.12 6.66 1.04 -1.26 -5.17 113.70 116.02 1wry s SER 119 Ca 0.58 -0.12 -0.17 0.00 0.48 0.00 0.00 55.95 56.71 1wry s SER 119 Cb -0.28 0.33 0.04 0.00 0.10 0.00 0.00 66.02 66.20 1wry s SER 119 CO 0.29 -0.54 0.43 -0.94 0.98 0.00 0.00 173.24 173.46 1wry s SER 120 N -1.79 -0.28 0.00 7.02 1.04 -1.26 -5.25 113.70 113.18 1wry s SER 120 Ca -0.08 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1wry s SER 120 Cb -0.03 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1wry s SER 120 CO -0.01 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.98