#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 -5.44 -2.45 1.61 7.64 -1.26 -4.13 113.62 109.59 1wry n SER 2 Ca 0.00 -0.14 -0.00 0.00 1.01 0.00 0.00 58.87 59.74 1wry n SER 2 Cb 0.00 -1.57 -0.00 0.00 -1.01 0.00 0.00 64.21 61.63 1wry n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wry n SER 3 N -0.09 -6.14 -3.50 6.43 7.64 -1.26 -5.08 113.62 111.62 1wry n SER 3 Ca -0.08 1.14 -0.12 0.00 1.01 0.00 0.00 58.87 60.81 1wry n SER 3 Cb 0.67 -4.45 -0.04 0.00 -1.01 0.00 0.00 64.21 59.39 1wry n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wry s GLY 4 N -1.21 -0.49 0.20 0.23 0.00 -1.26 -5.09 107.32 99.71 1wry s GLY 4 Ca -0.02 1.19 0.00 0.00 0.00 0.00 0.00 44.72 45.88 1wry s GLY 4 CO 0.63 0.60 0.00 1.44 0.00 0.00 0.00 173.10 175.76 1wry n SER 5 N 0.22 0.34 -4.82 1.64 7.64 -1.26 -5.10 113.62 112.28 1wry n SER 5 Ca -0.13 0.34 -0.29 0.00 1.01 0.00 0.00 58.87 59.79 1wry n SER 5 Cb 0.61 0.10 0.10 0.00 -1.01 0.00 0.00 64.21 64.01 1wry n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wry s SER 6 N -5.40 4.23 0.00 6.43 0.01 -1.26 -4.86 113.70 112.86 1wry s SER 6 Ca 0.00 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1wry s SER 6 Cb 0.00 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.49 1wry s SER 6 CO 0.00 -2.11 0.00 0.61 0.41 0.00 0.00 173.24 172.15 1wry n GLY 7 N -2.40 0.10 3.31 3.44 0.00 -1.26 -5.07 105.19 103.30 1wry n GLY 7 Ca 0.07 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.03 -3.29 1.61 2.00 -1.26 -4.90 117.12 110.26 1wry n MET 8 Ca 0.00 1.06 -0.39 0.00 0.00 0.00 0.00 57.70 58.37 1wry n MET 8 Cb 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 33.22 31.73 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 4.85 -0.45 2.03 1.01 -1.26 -4.97 120.40 120.41 1wry s VAL 9 Ca 0.18 1.16 -0.13 0.00 0.00 0.00 0.00 61.98 63.19 1wry s VAL 9 Cb -0.02 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.56 1wry s VAL 9 CO 0.41 0.51 0.34 -0.63 0.00 0.00 0.00 175.10 175.73 1wry s ILE 10 N -0.74 4.77 -0.24 2.22 -1.09 -1.12 -1.25 121.20 123.75 1wry s ILE 10 Ca 0.29 -1.26 -0.10 0.00 -2.23 0.00 0.00 60.65 57.35 1wry s ILE 10 Cb -0.18 -3.90 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 1wry s ILE 10 CO 0.17 -0.57 0.14 -0.13 -1.23 0.00 0.00 174.94 173.32 1wry s ARG 11 N 1.54 4.03 -0.11 2.79 0.52 0.71 0.20 118.95 128.62 1wry s ARG 11 Ca 0.04 -0.29 -0.02 0.00 -0.52 0.00 0.00 55.73 54.93 1wry s ARG 11 Cb -0.24 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 31.71 1wry s ARG 11 CO 0.04 0.06 -0.03 0.08 0.02 0.00 0.00 175.30 175.47 1wry s VAL 12 N 1.04 3.96 -0.65 3.52 1.01 -0.13 -0.63 120.40 128.53 1wry s VAL 12 Ca 0.07 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 1wry s VAL 12 Cb -0.14 -2.69 0.17 0.00 0.00 0.00 0.00 36.38 33.73 1wry s VAL 12 CO 0.04 0.55 0.57 -0.31 0.00 0.00 0.00 175.10 175.95 1wry s TYR 13 N -0.28 3.51 0.42 5.22 1.51 0.23 0.89 117.35 128.85 1wry s TYR 13 Ca 0.05 -1.88 0.06 0.00 -1.01 0.00 0.00 57.07 54.28 1wry s TYR 13 Cb -0.13 -3.67 0.06 0.00 -0.11 0.00 0.00 41.96 38.11 1wry s TYR 13 CO 0.02 -0.98 0.46 0.44 -1.11 0.00 0.00 175.55 174.39 1wry n ILE 14 N 4.43 0.00 -3.34 2.71 -5.35 0.51 -2.78 119.36 115.54 1wry n ILE 14 Ca 0.01 -1.53 -0.26 0.00 -0.27 0.00 0.00 62.75 60.70 1wry n ILE 14 Cb 0.43 -0.41 -0.08 0.00 -1.74 0.00 0.00 39.64 37.84 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 -2.33 3.10 -0.23 -1.28 0.00 -1.26 0.22 120.51 118.72 1wry n ALA 15 Ca -0.11 -3.90 0.11 0.00 0.00 0.00 0.00 53.44 49.53 1wry n ALA 15 Cb 0.46 -0.85 0.22 0.00 0.00 0.00 0.00 19.45 19.28 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 1.43 -0.04 0.00 0.00 2.88 -1.26 -0.69 113.62 115.94 1wry n SER 16 Ca 0.25 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1wry n SER 16 Cb 0.47 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 -4.85 0.00 -0.28 -3.46 2.88 -1.26 -4.97 113.62 101.67 1wry n SER 17 Ca 0.17 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1wry n SER 17 Cb 0.56 -0.45 -0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1wry n SER 17 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wry n SER 18 N -1.84 -1.69 0.00 -3.46 7.64 0.13 -4.87 113.62 109.52 1wry n SER 18 Ca 0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1wry n SER 18 Cb 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1wry n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wry n GLY 19 N -0.08 0.00 3.85 0.23 0.00 -1.26 -5.10 105.19 102.82 1wry n GLY 19 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.15 5.47 -0.17 1.61 0.01 -1.26 -5.01 113.70 110.20 1wry s SER 20 Ca 0.00 1.39 -0.17 0.00 1.31 0.00 0.00 55.95 58.48 1wry s SER 20 Cb 0.00 -2.28 -0.22 0.00 0.21 0.00 0.00 66.02 63.73 1wry s SER 20 CO 0.00 -1.36 0.30 0.74 0.41 0.00 0.00 173.24 173.33 1wry h THR 21 N -0.66 0.86 -0.97 1.44 2.02 -1.99 -3.33 112.91 110.28 1wry h THR 21 Ca -0.45 -2.25 0.21 0.00 0.77 0.00 0.00 66.41 64.70 1wry h THR 21 Cb 1.22 2.36 -0.18 0.00 -1.74 0.00 0.00 68.15 69.82 1wry h THR 21 CO 0.60 0.51 -0.18 0.00 0.37 0.00 0.00 175.52 176.82 1wry h ALA 22 N -0.29 0.75 0.46 6.16 0.00 -1.99 0.32 119.26 124.67 1wry h ALA 22 Ca -0.36 0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wry h ALA 22 Cb 1.54 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 20.01 1wry h ALA 22 CO -0.10 -0.42 -0.46 0.82 0.00 0.00 0.00 179.25 179.08 1wry h ILE 23 N 0.00 0.00 -0.95 0.00 2.04 -1.91 0.61 117.51 117.31 1wry h ILE 23 Ca 0.49 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.56 1wry h ILE 23 Cb 0.82 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.72 1wry h ILE 23 CO -0.98 0.00 -0.14 0.11 0.00 0.00 0.00 178.15 177.14 1wry h LYS 24 N -0.92 0.01 0.57 2.37 1.57 -0.59 0.75 116.57 120.33 1wry h LYS 24 Ca -0.06 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1wry h LYS 24 Cb 0.80 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.11 1wry h LYS 24 CO -0.06 0.01 -0.27 0.87 -0.57 0.00 0.00 179.45 179.43 1wry h LYS 25 N 0.01 -0.73 -0.94 3.15 1.57 -0.20 0.09 116.57 119.52 1wry h LYS 25 Ca 0.49 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.43 1wry h LYS 25 Cb 0.85 0.17 -0.13 0.00 0.08 0.00 0.00 32.23 33.20 1wry h LYS 25 CO -0.94 -0.49 -0.51 0.87 -0.57 0.00 0.00 179.45 177.81 1wry h LYS 26 N -0.84 -0.03 -0.77 3.15 1.57 0.22 1.14 116.57 121.00 1wry h LYS 26 Ca -0.08 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.85 1wry h LYS 26 Cb 0.58 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.81 1wry h LYS 26 CO 0.13 -0.02 0.33 1.96 -0.57 0.00 0.00 179.45 181.28 1wry h GLN 27 N -0.04 0.47 0.00 3.15 4.20 0.45 0.76 115.11 124.11 1wry h GLN 27 Ca 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1wry h GLN 27 Cb 0.49 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1wry h GLN 27 CO -0.92 0.31 -0.07 1.96 -0.67 0.00 0.00 178.83 179.44 1wry h GLN 28 N 0.49 0.00 0.07 1.46 4.20 0.30 0.20 115.11 121.83 1wry h GLN 28 Ca 0.42 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.89 1wry h GLN 28 Cb 0.62 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1wry h GLN 28 CO -0.39 0.07 -1.10 0.22 -0.67 0.00 0.00 178.83 176.96 1wry h ASP 29 N 0.00 0.31 0.79 1.46 1.82 0.66 0.34 116.42 121.80 1wry h ASP 29 Ca -0.00 -0.31 -0.25 0.00 -0.39 0.00 0.00 57.03 56.09 1wry h ASP 29 Cb 0.41 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 1wry h ASP 29 CO 0.01 1.21 -1.17 0.58 -1.61 0.00 0.00 179.24 178.25 1wry h VAL 30 N 0.07 1.55 0.02 2.25 2.07 -0.17 -2.80 116.25 119.25 1wry h VAL 30 Ca -0.09 -3.21 -0.00 0.00 0.82 0.00 0.00 66.70 64.23 1wry h VAL 30 Cb 1.82 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 34.45 1wry h VAL 30 CO 0.17 0.91 -0.01 -0.07 0.02 0.00 0.00 177.57 178.59 1wry h LEU 31 N 0.03 -0.03 -1.13 2.57 3.38 -0.67 -2.98 115.31 116.48 1wry h LEU 31 Ca -0.09 -0.51 0.21 0.00 0.09 0.00 0.00 57.88 57.57 1wry h LEU 31 Cb 1.88 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 42.53 1wry h LEU 31 CO 0.16 0.71 0.62 1.23 0.09 0.00 0.00 178.44 181.25 1wry h GLY 32 N -0.98 1.60 0.87 0.83 0.00 -0.45 0.76 103.07 105.70 1wry h GLY 32 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1wry h GLY 32 CO 0.01 -0.08 -0.24 -2.75 0.00 0.00 0.00 176.54 173.47 1wry h PHE 33 N 0.65 -0.62 -0.04 5.60 3.57 -1.59 0.47 116.94 124.98 1wry h PHE 33 Ca 0.57 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.07 1wry h PHE 33 Cb 1.05 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 1wry h PHE 33 CO -0.00 -0.33 0.08 -0.07 -2.23 0.00 0.00 178.31 175.75 1wry h LEU 34 N -0.80 0.00 0.17 0.59 3.38 -1.13 0.58 115.31 118.10 1wry h LEU 34 Ca -0.07 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.65 1wry h LEU 34 Cb 0.57 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.34 1wry h LEU 34 CO 0.11 0.00 -1.16 -0.33 0.09 0.00 0.00 178.44 177.15 1wry h GLU 35 N 0.00 0.35 0.00 1.13 5.08 -0.23 1.03 114.58 121.94 1wry h GLU 35 Ca 0.02 -0.60 -0.10 0.00 -1.00 0.00 0.00 59.36 57.68 1wry h GLU 35 Cb 0.17 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1wry h GLU 35 CO -0.00 1.29 -0.46 0.00 -1.00 0.00 0.00 179.01 178.83 1wry h ALA 36 N 0.07 1.04 -0.11 3.43 0.00 0.15 -1.91 119.26 121.93 1wry h ALA 36 Ca -0.22 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1wry h ALA 36 Cb 1.82 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1wry h ALA 36 CO 0.16 0.58 0.00 0.09 0.00 0.00 0.00 179.25 180.08 1wry n ASN 37 N -3.71 1.62 -3.87 0.00 3.02 0.19 -4.93 115.26 107.59 1wry n ASN 37 Ca -0.01 -1.62 -0.27 0.00 -0.03 0.00 0.00 54.58 52.65 1wry n ASN 37 Cb 0.53 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.28 -2.91 -3.66 3.52 4.76 -0.72 -4.94 118.16 114.48 1wry n LYS 38 Ca 0.17 0.43 -0.33 0.00 -2.87 0.00 0.00 58.31 55.71 1wry n LYS 38 Cb 0.34 -4.46 -0.05 0.00 -1.84 0.00 0.00 35.03 29.03 1wry n LYS 38 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1wry s ILE 39 N -3.81 5.18 -1.30 -0.18 1.01 0.35 -5.01 121.20 117.44 1wry s ILE 39 Ca 0.12 0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.85 1wry s ILE 39 Cb -0.05 -3.62 0.12 0.00 0.01 0.00 0.00 42.46 38.93 1wry s ILE 39 CO 0.88 0.22 1.79 0.61 0.00 0.00 0.00 174.94 178.44 1wry n GLY 40 N 0.67 3.83 3.91 6.18 0.00 -1.26 -4.75 105.19 113.77 1wry n GLY 40 Ca -0.07 -1.83 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 1wry n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wry s PHE 41 N 2.12 1.87 0.07 1.61 -0.71 -1.26 -2.80 117.98 118.89 1wry s PHE 41 Ca 0.45 -0.74 0.05 0.00 -1.04 0.00 0.00 56.93 55.65 1wry s PHE 41 Cb 0.06 -2.01 -0.03 0.00 -1.21 0.00 0.00 43.02 39.82 1wry s PHE 41 CO 0.00 -0.47 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.07 1wry s GLU 42 N -4.29 0.81 -0.36 1.99 0.41 0.53 -4.86 118.70 112.94 1wry s GLU 42 Ca 0.41 -0.97 -0.11 0.00 -0.41 0.00 0.00 54.97 53.89 1wry s GLU 42 Cb -0.03 -0.76 0.01 0.00 -1.78 0.00 0.00 34.13 31.57 1wry s GLU 42 CO 0.25 0.16 0.21 -1.21 -0.49 0.00 0.00 175.26 174.18 1wry s GLU 43 N -1.85 3.08 -0.26 1.61 2.02 -1.26 -0.96 118.70 121.07 1wry s GLU 43 Ca -0.02 -0.91 -0.03 0.00 0.02 0.00 0.00 54.97 54.03 1wry s GLU 43 Cb -0.09 -3.72 0.02 0.00 0.10 0.00 0.00 34.13 30.44 1wry s GLU 43 CO 0.02 -0.59 -0.02 0.15 0.02 0.00 0.00 175.26 174.84 1wry s LYS 44 N 1.61 2.89 -0.19 1.61 -0.14 0.26 -4.95 119.74 120.82 1wry s LYS 44 Ca 0.04 -0.95 -0.20 0.00 -1.36 0.00 0.00 55.97 53.49 1wry s LYS 44 Cb -0.18 -3.09 -0.03 0.00 -1.68 0.00 0.00 37.83 32.85 1wry s LYS 44 CO 0.07 -0.41 0.60 0.34 -0.76 0.00 0.00 175.35 175.19 1wry s ASP 45 N 1.37 6.66 -0.09 2.83 -1.08 -1.25 0.19 116.67 125.30 1wry s ASP 45 Ca 0.01 0.80 -0.01 0.00 -0.52 0.00 0.00 52.55 52.83 1wry s ASP 45 Cb -0.17 -2.33 -0.25 0.00 -1.46 0.00 0.00 42.92 38.70 1wry s ASP 45 CO -0.03 -0.23 0.47 0.16 0.52 0.00 0.00 175.17 176.06 1wry h ILE 46 N 5.14 0.71 0.00 4.11 3.07 0.26 -3.22 117.51 127.57 1wry h ILE 46 Ca -0.33 -2.46 0.00 0.00 1.55 0.00 0.00 64.86 63.63 1wry h ILE 46 Cb 1.15 2.50 0.00 0.00 -0.27 0.00 0.00 36.82 40.20 1wry h ILE 46 CO 0.76 0.78 0.00 0.00 -1.05 0.00 0.00 178.15 178.65 1wry n ALA 47 N -2.86 -0.07 -0.83 0.16 0.00 -1.25 -3.43 120.51 112.23 1wry n ALA 47 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1wry n ALA 47 Cb 1.05 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.92 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 -2.81 -0.07 -1.61 0.00 0.00 -1.26 -4.31 120.51 110.45 1wry n ALA 48 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1wry n ALA 48 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.88 4.27 0.01 0.00 3.84 -1.22 -4.78 114.94 115.18 1wry s ASN 49 Ca 0.00 0.54 -0.25 0.00 0.21 0.00 0.00 52.86 53.36 1wry s ASN 49 Cb 0.00 -2.53 -0.17 0.00 -0.55 0.00 0.00 41.25 38.00 1wry s ASN 49 CO 0.00 -3.28 1.31 1.05 -2.79 0.00 0.00 177.10 173.39 1wry h GLU 50 N 16.15 -0.27 -0.92 0.43 4.11 -1.74 -3.00 114.58 129.34 1wry h GLU 50 Ca -0.13 0.02 0.36 0.00 0.07 0.00 0.00 59.36 59.68 1wry h GLU 50 Cb 1.14 0.06 -0.17 0.00 0.50 0.00 0.00 28.75 30.28 1wry h GLU 50 CO 1.10 0.06 0.40 -0.85 0.07 0.00 0.00 179.01 179.79 1wry n GLU 51 N -5.07 -0.06 0.04 1.06 0.28 -1.26 0.20 120.64 115.84 1wry n GLU 51 Ca -0.09 1.29 -0.11 0.00 -0.16 0.00 0.00 57.16 58.09 1wry n GLU 51 Cb 0.23 -2.26 -0.05 0.00 1.43 0.00 0.00 31.44 30.80 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 -0.26 -0.68 -1.84 4.21 -1.86 0.38 115.58 115.54 1wry h ASN 52 Ca 0.74 0.04 -0.04 0.00 1.21 0.00 0.00 56.30 58.25 1wry h ASN 52 Cb 1.89 0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 39.17 1wry h ASN 52 CO -0.74 -0.13 0.26 -0.09 -1.29 0.00 0.00 177.43 175.45 1wry h ARG 53 N -0.15 1.04 0.39 0.81 2.43 0.23 0.25 114.38 119.39 1wry h ARG 53 Ca 0.04 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1wry h ARG 53 Cb 0.20 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1wry h ARG 53 CO -0.11 0.86 -0.19 -0.22 -1.51 0.00 0.00 179.97 178.80 1wry h LYS 54 N 1.02 -0.50 -0.08 0.20 3.64 0.14 1.58 116.57 122.56 1wry h LYS 54 Ca 0.23 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 1wry h LYS 54 Cb 0.22 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1wry h LYS 54 CO -0.02 -0.34 -0.46 2.35 -2.27 0.00 0.00 179.45 178.72 1wry h TRP 55 N -0.55 -1.32 -0.36 1.91 7.01 -0.24 -0.67 115.95 121.73 1wry h TRP 55 Ca -0.05 0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.07 1wry h TRP 55 Cb 0.40 0.59 -0.08 0.00 -2.10 0.00 0.00 29.16 27.97 1wry h TRP 55 CO 0.13 -0.51 -0.18 1.98 -2.79 0.00 0.00 178.44 177.07 1wry h MET 56 N -0.55 -0.11 -1.09 2.65 4.05 -0.50 0.19 114.93 119.58 1wry h MET 56 Ca 0.05 0.01 0.30 0.00 -0.28 0.00 0.00 59.70 59.78 1wry h MET 56 Cb 0.66 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 31.39 1wry h MET 56 CO -0.38 -0.07 0.71 0.00 0.23 0.00 0.00 176.91 177.39 1wry h ARG 57 N -0.12 0.31 -0.01 0.39 3.08 0.34 0.45 114.38 118.82 1wry h ARG 57 Ca 0.18 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1wry h ARG 57 Cb 0.39 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1wry h ARG 57 CO -0.43 0.20 -0.08 0.93 -1.07 0.00 0.00 179.97 179.52 1wry h GLU 58 N 0.31 0.07 -0.15 0.04 4.39 0.74 -3.30 114.58 116.69 1wry h GLU 58 Ca 0.62 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 60.30 1wry h GLU 58 Cb 1.72 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.33 1wry h GLU 58 CO -0.29 0.76 -0.14 -0.91 -1.16 0.00 0.00 179.01 177.27 1wry h ASN 59 N -0.60 -0.45 -0.94 1.42 2.35 0.11 -3.42 115.58 114.04 1wry h ASN 59 Ca -0.01 0.09 -0.75 0.00 -0.55 0.00 0.00 56.30 55.08 1wry h ASN 59 Cb 0.78 0.22 0.04 0.00 0.05 0.00 0.00 38.32 39.42 1wry h ASN 59 CO 0.02 -0.19 0.13 0.52 -1.65 0.00 0.00 177.43 176.26 1wry n VAL 60 N -5.29 0.00 -2.35 2.81 0.31 0.13 -4.86 118.33 109.07 1wry n VAL 60 Ca -0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.97 1wry n VAL 60 Cb 0.21 -0.06 -0.02 0.00 -0.91 0.00 0.00 33.84 33.07 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 0.33 3.63 0.34 5.55 0.04 -1.26 -4.89 135.00 138.74 1wry s PRO 61 Ca 0.87 1.28 0.05 0.00 0.04 0.00 0.00 61.00 63.25 1wry s PRO 61 Cb -1.22 -2.07 0.60 0.00 0.04 0.00 0.00 34.50 31.85 1wry s PRO 61 CO 0.56 -0.57 1.85 1.49 0.04 0.00 0.00 177.00 180.38 1wry h GLU 62 N 1.11 0.42 0.00 4.56 4.81 -1.93 0.18 114.58 123.73 1wry h GLU 62 Ca -0.48 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1wry h GLU 62 Cb 1.22 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1wry h GLU 62 CO 0.59 0.54 0.00 -1.71 -0.73 0.00 0.00 179.01 177.69 1wry n ASN 63 N -4.23 0.00 -0.02 1.04 5.15 -1.26 -1.73 115.26 114.20 1wry n ASN 63 Ca 0.00 0.20 0.02 0.00 -0.60 0.00 0.00 54.58 54.20 1wry n ASN 63 Cb 0.29 -0.36 -0.02 0.00 -0.53 0.00 0.00 39.78 39.17 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 -1.36 0.32 -4.81 1.20 7.64 -0.10 -5.03 113.62 111.48 1wry n SER 64 Ca 0.07 -0.66 -0.33 0.00 1.01 0.00 0.00 58.87 58.96 1wry n SER 64 Cb 0.16 0.88 -0.02 0.00 -1.01 0.00 0.00 64.21 64.22 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 -1.25 3.67 0.85 1.43 0.52 0.46 -4.91 118.95 119.71 1wry s ARG 65 Ca 0.02 1.17 -0.12 0.00 -0.52 0.00 0.00 55.73 56.28 1wry s ARG 65 Cb 0.03 -2.09 0.10 0.00 0.52 0.00 0.00 34.95 33.52 1wry s ARG 65 CO 0.15 -0.52 1.12 -1.25 0.02 0.00 0.00 175.30 174.82 1wry s PRO 66 N -3.80 1.63 0.25 3.54 0.04 -1.26 -4.92 135.00 130.47 1wry s PRO 66 Ca 0.63 0.47 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 1wry s PRO 66 Cb -0.14 -1.88 0.33 0.00 0.04 0.00 0.00 34.50 32.85 1wry s PRO 66 CO 0.29 -1.90 1.56 0.00 0.04 0.00 0.00 177.00 176.99 1wry h ALA 67 N -1.29 0.37 -2.53 8.56 0.00 -1.96 -3.41 119.26 119.00 1wry h ALA 67 Ca -0.49 0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1wry h ALA 67 Cb 1.30 0.89 -0.20 0.00 0.00 0.00 0.00 17.79 19.78 1wry h ALA 67 CO 0.61 -0.52 -0.27 -0.08 0.00 0.00 0.00 179.25 178.99 1wry s THR 68 N -6.09 0.05 0.00 0.00 -1.32 -1.26 -5.13 115.64 101.90 1wry s THR 68 Ca -0.14 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 1wry s THR 68 Cb 0.23 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.61 1wry s THR 68 CO 0.74 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 173.52 1wry n GLY 69 N 1.38 -1.81 3.91 6.08 0.00 -1.26 -4.96 105.19 108.53 1wry n GLY 69 Ca -0.21 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 43.84 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 3.41 -0.18 1.61 2.02 -1.26 -4.59 117.35 118.37 1wry s TYR 70 Ca 0.00 0.75 -0.29 0.00 -0.37 0.00 0.00 57.07 57.16 1wry s TYR 70 Cb 0.00 -2.54 -0.01 0.00 -0.40 0.00 0.00 41.96 39.01 1wry s TYR 70 CO 0.00 -0.57 1.28 -1.25 -1.57 0.00 0.00 175.55 173.44 1wry s PRO 71 N -4.89 4.19 0.48 -1.71 0.04 -1.26 -4.69 135.00 127.16 1wry s PRO 71 Ca 0.51 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.97 1wry s PRO 71 Cb -0.10 -3.79 -0.08 0.00 0.04 0.00 0.00 34.50 30.57 1wry s PRO 71 CO 0.45 -0.77 1.07 -0.51 0.04 0.00 0.00 177.00 177.29 1wry s LEU 72 N 3.65 3.89 0.87 -3.56 1.43 -1.26 -4.99 118.68 118.70 1wry s LEU 72 Ca 0.56 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.57 1wry s LEU 72 Cb -0.21 -4.48 0.11 0.00 0.03 0.00 0.00 46.19 41.65 1wry s LEU 72 CO 0.16 -0.84 1.12 -2.16 0.23 0.00 0.00 176.35 174.86 1wry s PRO 73 N -3.08 1.47 0.86 1.29 0.04 -1.26 -4.63 135.00 129.69 1wry s PRO 73 Ca 0.67 0.41 -0.12 0.00 0.04 0.00 0.00 61.00 62.00 1wry s PRO 73 Cb -0.20 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.58 1wry s PRO 73 CO 0.24 -2.00 1.12 -1.25 0.04 0.00 0.00 177.00 175.15 1wry s PRO 74 N -5.23 1.56 -0.17 0.56 0.04 -1.26 -4.90 135.00 125.60 1wry s PRO 74 Ca 0.63 0.44 -0.04 0.00 0.04 0.00 0.00 61.00 62.07 1wry s PRO 74 Cb -0.15 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.58 1wry s PRO 74 CO 0.54 -1.94 0.07 -0.65 0.04 0.00 0.00 177.00 175.06 1wry s GLN 75 N -5.23 0.24 0.11 4.56 -1.52 -1.12 -3.85 119.66 112.86 1wry s GLN 75 Ca 0.62 -0.15 -0.30 0.00 -1.95 0.00 0.00 55.36 53.58 1wry s GLN 75 Cb -0.15 -1.82 -0.06 0.00 -0.22 0.00 0.00 33.01 30.77 1wry s GLN 75 CO 0.54 -0.63 1.04 0.42 -0.25 0.00 0.00 175.29 176.40 1wry s ILE 76 N 2.06 4.31 -0.05 1.08 1.09 0.34 -0.60 121.20 129.43 1wry s ILE 76 Ca 0.01 1.85 -0.02 0.00 -1.10 0.00 0.00 60.65 61.40 1wry s ILE 76 Cb -0.16 -4.18 0.04 0.00 -1.06 0.00 0.00 42.46 37.09 1wry s ILE 76 CO -0.08 0.25 0.10 -0.36 -0.10 0.00 0.00 174.94 174.75 1wry s PHE 77 N 0.24 -0.08 -0.65 3.97 0.40 0.20 -2.61 117.98 119.44 1wry s PHE 77 Ca 0.50 0.35 -0.21 0.00 -0.60 0.00 0.00 56.93 56.96 1wry s PHE 77 Cb -0.26 -0.16 0.08 0.00 0.51 0.00 0.00 43.02 43.20 1wry s PHE 77 CO 0.31 -0.14 0.89 1.21 0.70 0.00 0.00 175.22 178.19 1wry s ASN 78 N 1.18 6.20 0.00 1.36 3.84 0.42 -0.21 114.94 127.73 1wry s ASN 78 Ca -0.09 -1.18 0.00 0.00 0.21 0.00 0.00 52.86 51.80 1wry s ASN 78 Cb -0.12 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 1wry s ASN 78 CO -0.05 -1.32 0.00 -0.62 -2.79 0.00 0.00 177.10 172.32 1wry n GLU 79 N 7.22 0.00 0.00 0.43 1.02 -0.38 0.18 120.64 129.11 1wry n GLU 79 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 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 1.34 0.64 -4.90 1.62 3.41 -1.26 -4.83 113.62 109.64 1wry n SER 80 Ca 0.00 -1.02 -0.20 0.00 -0.26 0.00 0.00 58.87 57.39 1wry n SER 80 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.02 2.68 0.20 4.33 -1.52 0.48 -5.05 119.66 120.76 1wry s GLN 81 Ca 0.00 -1.38 0.07 0.00 -1.95 0.00 0.00 55.36 52.09 1wry s GLN 81 Cb 0.00 -2.49 -0.04 0.00 -0.22 0.00 0.00 33.01 30.26 1wry s GLN 81 CO 0.00 -0.10 0.12 -0.47 -0.25 0.00 0.00 175.29 174.59 1wry s TYR 82 N -2.38 3.04 0.15 0.91 6.14 -1.26 0.16 117.35 124.10 1wry s TYR 82 Ca 0.47 -0.09 0.00 0.00 0.64 0.00 0.00 57.07 58.09 1wry s TYR 82 Cb -0.05 -1.42 0.00 0.00 0.42 0.00 0.00 41.96 40.91 1wry s TYR 82 CO 0.28 0.53 0.00 0.54 0.64 0.00 0.00 175.55 177.54 1wry n ARG 83 N -0.62 0.00 -3.19 4.97 5.12 -1.07 -4.69 116.66 117.18 1wry n ARG 83 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1wry n ARG 83 Cb 0.56 -0.24 0.00 0.00 -1.16 0.00 0.00 32.46 31.62 1wry n ARG 83 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wry n GLY 84 N 2.69 -1.35 1.08 -0.13 0.00 -1.24 -5.05 105.19 101.20 1wry n GLY 84 Ca 0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 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 0.56 1.11 -0.26 1.61 5.75 -1.26 -0.50 116.55 123.56 1wry n ASP 85 Ca 0.00 -1.49 0.24 0.00 -0.01 0.00 0.00 54.79 53.53 1wry n ASP 85 Cb 0.00 -0.06 0.58 0.00 -1.03 0.00 0.00 41.12 40.62 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 0.33 0.40 0.61 2.11 5.03 -1.92 0.32 116.97 123.84 1wry h TYR 86 Ca -0.09 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.20 1wry h TYR 86 Cb 0.35 -0.12 0.01 0.00 1.55 0.00 0.00 36.73 38.52 1wry h TYR 86 CO 0.00 0.07 -0.29 -0.44 -1.32 0.00 0.00 178.16 176.18 1wry h ASP 87 N 0.27 -0.69 -0.08 -2.11 5.19 -1.93 0.27 116.42 117.34 1wry h ASP 87 Ca 0.51 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.90 1wry h ASP 87 Cb 1.51 0.18 -0.01 0.00 0.18 0.00 0.00 39.33 41.19 1wry h ASP 87 CO -0.16 -0.43 0.02 0.00 -3.12 0.00 0.00 179.24 175.55 1wry h ALA 88 N -0.57 1.78 -0.41 3.45 0.00 -1.43 0.31 119.26 122.38 1wry h ALA 88 Ca -0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1wry h ALA 88 Cb 0.66 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1wry h ALA 88 CO 0.14 0.17 -0.04 0.35 0.00 0.00 0.00 179.25 179.88 1wry h PHE 89 N 0.19 0.82 -0.12 0.00 3.57 0.00 -0.27 116.94 121.14 1wry h PHE 89 Ca 0.05 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.34 1wry h PHE 89 Cb 0.11 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1wry h PHE 89 CO 0.00 0.84 -0.13 0.35 -2.23 0.00 0.00 178.31 177.14 1wry h PHE 90 N 0.57 0.37 -0.14 0.41 3.04 0.34 -2.17 116.94 119.36 1wry h PHE 90 Ca 0.11 -0.11 0.02 0.00 3.98 0.00 0.00 57.97 61.97 1wry h PHE 90 Cb 0.53 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1wry h PHE 90 CO 0.04 0.72 0.01 1.49 -2.02 0.00 0.00 178.31 178.55 1wry h GLU 91 N -0.09 0.06 0.00 1.11 4.81 -0.96 0.94 114.58 120.44 1wry h GLU 91 Ca 0.02 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1wry h GLU 91 Cb 0.67 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1wry h GLU 91 CO 0.03 0.04 -0.00 0.00 -0.73 0.00 0.00 179.01 178.35 1wry h ALA 92 N 1.11 1.62 0.22 2.92 0.00 -1.07 0.12 119.26 124.18 1wry h ALA 92 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wry h ALA 92 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wry h ALA 92 CO -0.10 0.00 -0.11 -0.09 0.00 0.00 0.00 179.25 178.96 1wry h ARG 93 N 0.00 -0.29 -0.53 0.00 2.43 -0.34 1.15 114.38 116.81 1wry h ARG 93 Ca -0.00 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.27 1wry h ARG 93 Cb 0.01 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1wry h ARG 93 CO 0.00 0.05 0.36 0.93 -1.51 0.00 0.00 179.97 179.80 1wry h GLU 94 N -0.95 0.38 -0.21 0.20 4.39 -0.45 0.75 114.58 118.70 1wry h GLU 94 Ca -0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wry h GLU 94 Cb 0.47 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1wry h GLU 94 CO 0.05 0.25 0.00 0.09 -1.16 0.00 0.00 179.01 178.24 1wry n ASN 95 N -4.47 1.17 -4.04 1.42 3.02 -0.01 -4.90 115.26 107.44 1wry n ASN 95 Ca 0.08 -1.94 -0.40 0.00 -0.03 0.00 0.00 54.58 52.28 1wry n ASN 95 Cb 0.31 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.12 -3.23 -0.61 6.41 3.02 0.26 -4.82 115.26 116.40 1wry n ASN 96 Ca 0.09 -1.23 -0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1wry n ASN 96 Cb 0.19 -2.04 -0.00 0.00 -0.61 0.00 0.00 39.78 37.32 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 -4.80 2.12 0.05 5.41 0.00 0.38 -4.15 120.51 119.52 1wry n ALA 97 Ca -0.16 -0.78 -0.13 0.00 0.00 0.00 0.00 53.44 52.37 1wry n ALA 97 Cb 0.60 -0.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 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 6.24 0.14 -0.97 0.00 2.07 -1.34 0.56 116.25 122.95 1wry h VAL 98 Ca -0.05 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.79 1wry h VAL 98 Cb 1.31 0.14 -0.16 0.00 -1.52 0.00 0.00 31.29 31.07 1wry h VAL 98 CO -0.01 0.00 0.43 1.88 0.02 0.00 0.00 177.57 179.89 1wry h TYR 99 N -0.56 0.67 -0.45 1.57 0.05 -1.90 1.51 116.97 117.86 1wry h TYR 99 Ca 0.05 0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.75 1wry h TYR 99 Cb 0.65 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 1wry h TYR 99 CO -0.44 -0.28 -0.21 0.00 -1.05 0.00 0.00 178.16 176.17 1wry h ALA 100 N 1.88 0.77 0.00 3.88 0.00 -1.20 0.85 119.26 125.44 1wry h ALA 100 Ca 0.71 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wry h ALA 100 Cb 1.63 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1wry h ALA 100 CO -0.69 0.66 0.00 0.34 0.00 0.00 0.00 179.25 179.56 1wry n PHE 101 N -4.11 0.00 0.39 0.00 7.35 0.49 -1.61 117.46 119.96 1wry n PHE 101 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 1wry n PHE 101 Cb 0.45 -0.48 0.04 0.00 0.35 0.00 0.00 39.48 39.84 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 -1.48 1.77 -1.21 -2.13 4.77 0.48 -4.75 117.00 114.46 1wry n LEU 102 Ca 0.04 -1.00 -0.13 0.00 -0.03 0.00 0.00 56.01 54.89 1wry n LEU 102 Cb 0.19 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1wry n LEU 102 CO 0.15 0.35 -0.14 0.61 -1.33 0.00 0.00 177.39 177.02 1wry n GLY 103 N 0.52 0.81 2.62 -0.72 0.00 -0.11 -4.91 105.19 103.41 1wry n GLY 103 Ca 0.05 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.50 0.99 4.77 0.28 -4.99 117.00 111.89 1wry n LEU 104 Ca -0.14 -1.55 -0.32 0.00 -0.03 0.00 0.00 56.01 53.97 1wry n LEU 104 Cb 0.51 -0.36 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 1wry n LEU 104 CO 0.20 -0.74 -0.45 -0.89 -1.33 0.00 0.00 177.39 174.18 1wry s THR 105 N -1.71 3.13 0.08 -5.08 2.01 -1.26 -4.38 115.64 108.42 1wry s THR 105 Ca 0.43 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1wry s THR 105 Cb -0.03 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1wry s THR 105 CO 0.28 0.48 0.19 0.00 -0.69 0.00 0.00 174.62 174.88 1wry s ALA 106 N -0.84 3.90 0.52 7.40 0.00 -1.26 -5.01 121.76 126.46 1wry s ALA 106 Ca 0.14 -0.91 -0.19 0.00 0.00 0.00 0.00 51.96 51.00 1wry s ALA 106 Cb -0.11 -1.73 -0.07 0.00 0.00 0.00 0.00 23.12 21.22 1wry s ALA 106 CO 0.03 0.77 1.04 -1.25 0.00 0.00 0.00 175.76 176.36 1wry s PRO 107 N -2.57 3.67 -0.29 0.00 0.04 -1.26 -4.94 135.00 129.64 1wry s PRO 107 Ca 0.34 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 1wry s PRO 107 Cb -0.13 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1wry s PRO 107 CO 0.27 -0.53 1.35 -1.25 0.04 0.00 0.00 177.00 176.87 1wry s PRO 108 N -3.52 3.89 0.00 0.56 0.04 -1.26 -2.52 135.00 132.18 1wry s PRO 108 Ca 0.66 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1wry s PRO 108 Cb -0.16 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1wry s PRO 108 CO 0.25 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.54 1wry n GLY 109 N 4.39 1.24 3.90 0.56 0.00 -1.26 -5.11 105.19 108.90 1wry n GLY 109 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1wry n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wry s SER 110 N -1.83 5.06 0.28 1.61 1.04 -1.05 -4.79 113.70 114.02 1wry s SER 110 Ca 0.00 0.90 -0.02 0.00 0.48 0.00 0.00 55.95 57.31 1wry s SER 110 Cb 0.00 -1.59 0.41 0.00 0.10 0.00 0.00 66.02 64.94 1wry s SER 110 CO 0.00 -1.54 1.89 0.50 0.98 0.00 0.00 173.24 175.06 1wry h LYS 111 N -0.75 0.97 0.00 4.02 1.63 -1.94 0.49 116.57 120.99 1wry h LYS 111 Ca -0.45 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.21 1wry h LYS 111 Cb 1.29 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1wry h LYS 111 CO 0.64 0.75 -0.04 0.93 -3.45 0.00 0.00 179.45 178.27 1wry h GLU 112 N 0.97 0.00 0.06 1.90 3.07 -1.90 0.24 114.58 118.91 1wry h GLU 112 Ca 0.24 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.82 1wry h GLU 112 Cb 0.10 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1wry h GLU 112 CO -0.03 0.04 -1.48 0.00 -1.40 0.00 0.00 179.01 176.14 1wry h ALA 113 N 1.96 0.29 0.17 3.43 0.00 -1.35 -3.40 119.26 120.37 1wry h ALA 113 Ca -0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 54.91 53.67 1wry h ALA 113 Cb 0.09 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1wry h ALA 113 CO 0.01 0.90 -0.10 0.93 0.00 0.00 0.00 179.25 180.99 1wry h GLU 114 N -0.55 -0.24 -6.35 0.00 4.39 0.29 -3.48 114.58 108.64 1wry h GLU 114 Ca -0.36 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.34 1wry h GLU 114 Cb 1.60 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1wry h GLU 114 CO -0.06 -0.16 -1.01 0.28 -1.16 0.00 0.00 179.01 176.89 1wry n VAL 115 N -2.75 -2.40 0.11 3.13 0.31 0.80 -4.92 118.33 112.62 1wry n VAL 115 Ca -0.03 0.51 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1wry n VAL 115 Cb 0.10 -3.14 0.00 0.00 -0.91 0.00 0.00 33.84 29.89 1wry n VAL 115 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wry n SER 116 N 1.18 -1.56 -3.93 4.52 2.88 -1.26 -5.12 113.62 110.33 1wry n SER 116 Ca -0.01 0.42 -0.38 0.00 -1.33 0.00 0.00 58.87 57.58 1wry n SER 116 Cb 0.50 1.64 -0.00 0.00 -0.75 0.00 0.00 64.21 65.59 1wry n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wry n GLY 117 N -0.41 -2.47 3.66 0.46 0.00 -1.26 -4.80 105.19 100.37 1wry n GLY 117 Ca 0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.91 4.23 -0.42 1.61 0.04 -1.26 -4.96 135.00 133.32 1wry s PRO 118 Ca 0.54 1.67 0.03 0.00 0.04 0.00 0.00 61.00 63.29 1wry s PRO 118 Cb -0.59 -3.77 0.16 0.00 0.04 0.00 0.00 34.50 30.35 1wry s PRO 118 CO 0.57 -0.71 0.33 -1.12 0.04 0.00 0.00 177.00 176.11 1wry s SER 119 N 2.00 1.91 0.63 6.66 0.01 -1.26 -5.12 113.70 118.53 1wry s SER 119 Ca 0.55 -2.99 -0.17 0.00 1.31 0.00 0.00 55.95 54.65 1wry s SER 119 Cb -0.22 -0.52 -0.05 0.00 0.21 0.00 0.00 66.02 65.43 1wry s SER 119 CO 0.15 -0.19 0.72 -1.20 0.41 0.00 0.00 173.24 173.13 1wry n SER 120 N 2.97 -0.33 -0.89 2.44 7.64 -1.26 -5.02 113.62 119.17 1wry n SER 120 Ca 0.26 0.72 0.12 0.00 1.01 0.00 0.00 58.87 60.98 1wry n SER 120 Cb 0.45 -1.28 0.17 0.00 -1.01 0.00 0.00 64.21 62.54 1wry n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64