#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysx s SER 2 N 0.00 6.34 1.17 1.61 0.01 -1.26 -5.05 113.70 116.52 2ysx s SER 2 Ca 0.00 -0.30 -0.19 0.00 1.31 0.00 0.00 55.95 56.78 2ysx s SER 2 Cb 0.00 -2.33 0.28 0.00 0.21 0.00 0.00 66.02 64.17 2ysx s SER 2 CO 0.00 -0.80 1.14 -0.94 0.41 0.00 0.00 173.24 173.05 2ysx s SER 3 N 2.02 1.21 0.00 2.44 1.04 -1.26 -5.04 113.70 114.11 2ysx s SER 3 Ca 0.24 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2ysx s SER 3 Cb -0.14 -0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.21 2ysx s SER 3 CO 0.20 -3.94 0.00 0.61 0.98 0.00 0.00 173.24 171.09 2ysx n GLY 4 N -1.36 4.06 3.33 7.32 0.00 -1.26 -5.07 105.19 112.21 2ysx n GLY 4 Ca 0.14 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 2ysx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ysx s SER 5 N 0.00 5.35 -0.13 1.61 1.04 -1.26 -5.07 113.70 115.23 2ysx s SER 5 Ca 0.00 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 55.54 2ysx s SER 5 Cb 0.00 -1.91 0.01 0.00 0.10 0.00 0.00 66.02 64.22 2ysx s SER 5 CO 0.00 -0.28 -0.18 -0.44 0.98 0.00 0.00 173.24 173.32 2ysx s SER 6 N 1.48 2.80 -0.02 7.02 0.01 -1.26 -4.99 113.70 118.74 2ysx s SER 6 Ca 0.01 -0.52 -0.00 0.00 1.31 0.00 0.00 55.95 56.75 2ysx s SER 6 Cb -0.18 -1.28 -0.01 0.00 0.21 0.00 0.00 66.02 64.76 2ysx s SER 6 CO 0.04 0.03 -0.02 0.61 0.41 0.00 0.00 173.24 174.31 2ysx n GLY 7 N 4.24 -0.02 3.17 3.44 0.00 -1.26 -5.10 105.19 109.65 2ysx n GLY 7 Ca -0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2ysx n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ysx s MET 8 N -2.03 0.75 0.02 1.61 1.00 -1.26 -5.17 119.30 114.22 2ysx s MET 8 Ca -0.02 -0.94 0.04 0.00 0.00 0.00 0.00 55.69 54.77 2ysx s MET 8 Cb 0.01 0.30 -0.02 0.00 0.00 0.00 0.00 34.83 35.12 2ysx s MET 8 CO 0.04 -0.22 -0.13 0.14 0.00 0.00 0.00 175.02 174.85 2ysx s VAL 9 N -3.56 1.01 0.27 -6.03 -7.23 -1.26 -5.13 120.40 98.47 2ysx s VAL 9 Ca 0.03 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 2ysx s VAL 9 Cb 0.04 -0.90 -0.10 0.00 0.56 0.00 0.00 36.38 35.98 2ysx s VAL 9 CO -0.09 0.06 1.26 -2.16 -0.31 0.00 0.00 175.10 173.85 2ysx s PRO 10 N -0.89 4.44 -0.08 4.82 0.04 -1.26 -4.94 135.00 137.12 2ysx s PRO 10 Ca 0.02 2.06 0.10 0.00 0.04 0.00 0.00 61.00 63.21 2ysx s PRO 10 Cb -0.07 -3.15 -0.15 0.00 0.04 0.00 0.00 34.50 31.18 2ysx s PRO 10 CO 0.01 -0.12 0.10 0.00 0.04 0.00 0.00 177.00 177.03 2ysx h TRP 12 N 0.00 0.00 -1.83 0.00 5.08 -1.79 -3.35 115.95 114.06 2ysx h TRP 12 Ca -0.21 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 59.22 2ysx h TRP 12 Cb 1.34 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 27.42 2ysx h TRP 12 CO 0.00 0.00 1.21 1.21 -1.28 0.00 0.00 178.44 179.58 2ysx s ASN 13 N -5.55 6.13 -0.13 0.11 3.84 -1.26 -0.95 114.94 117.13 2ysx s ASN 13 Ca -0.04 -0.71 0.01 0.00 0.21 0.00 0.00 52.86 52.33 2ysx s ASN 13 Cb 0.15 -2.56 0.20 0.00 -0.55 0.00 0.00 41.25 38.49 2ysx s ASN 13 CO 0.53 -1.83 1.29 1.41 -2.79 0.00 0.00 177.10 175.71 2ysx n HIS 14 N 9.79 0.91 0.00 0.43 8.25 0.02 -4.96 115.22 129.67 2ysx n HIS 14 Ca 0.16 -0.92 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 2ysx n HIS 14 Cb 0.50 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2ysx n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ysx n GLY 15 N 0.03 1.38 2.67 -1.41 0.00 -1.26 -3.33 105.19 103.27 2ysx n GLY 15 Ca 0.18 0.60 -0.29 0.00 0.00 0.00 0.00 46.02 46.50 2ysx n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysx s ASN 16 N -4.00 3.60 0.29 1.61 4.22 -1.26 0.52 114.94 119.92 2ysx s ASN 16 Ca 0.00 -2.36 0.09 0.00 -2.14 0.00 0.00 52.86 48.45 2ysx s ASN 16 Cb 0.00 -0.89 -0.05 0.00 1.28 0.00 0.00 41.25 41.60 2ysx s ASN 16 CO 0.00 -0.30 0.01 0.27 -2.04 0.00 0.00 177.10 175.04 2ysx s ILE 17 N 0.72 3.15 0.62 0.54 -4.36 -1.21 -4.95 121.20 115.71 2ysx s ILE 17 Ca 0.16 -1.92 -0.18 0.00 -0.26 0.00 0.00 60.65 58.46 2ysx s ILE 17 Cb -0.23 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.63 2ysx s ILE 17 CO -0.04 -0.31 1.17 0.28 0.24 0.00 0.00 174.94 176.28 2ysx s THR 18 N -2.39 2.83 0.15 8.37 -1.32 -1.26 -4.84 115.64 117.19 2ysx s THR 18 Ca 0.33 0.47 -0.18 0.00 -1.21 0.00 0.00 61.69 61.11 2ysx s THR 18 Cb -0.04 -3.11 0.04 0.00 -1.51 0.00 0.00 72.50 67.88 2ysx s THR 18 CO 0.20 -0.16 1.69 -0.09 -2.21 0.00 0.00 174.62 174.06 2ysx h ARG 19 N 0.60 0.05 -0.97 7.08 9.65 -1.99 -1.28 114.38 127.51 2ysx h ARG 19 Ca -0.49 -0.00 0.23 0.00 -1.10 0.00 0.00 59.98 58.61 2ysx h ARG 19 Cb 1.28 -0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 29.73 2ysx h ARG 19 CO 0.54 0.03 0.55 1.03 2.80 0.00 0.00 179.97 184.92 2ysx h SER 20 N 0.05 0.61 0.38 -3.80 0.87 -2.00 -1.21 113.55 108.46 2ysx h SER 20 Ca 0.16 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 2ysx h SER 20 Cb 0.23 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2ysx h SER 20 CO -0.30 0.12 -0.18 0.50 -0.53 0.00 0.00 176.83 176.43 2ysx h LYS 21 N 0.57 -0.49 -0.56 2.24 1.63 -1.61 0.34 116.57 118.69 2ysx h LYS 21 Ca 0.61 0.03 0.08 0.00 -0.85 0.00 0.00 60.65 60.52 2ysx h LYS 21 Cb 1.11 0.11 -0.10 0.00 -0.60 0.00 0.00 32.23 32.75 2ysx h LYS 21 CO -0.47 -0.24 -0.48 0.00 -3.45 0.00 0.00 179.45 174.81 2ysx h ALA 22 N -0.11 -0.46 -0.17 5.00 0.00 -0.82 -1.63 119.26 121.07 2ysx h ALA 22 Ca -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2ysx h ALA 22 Cb 0.48 1.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2ysx h ALA 22 CO 0.09 -0.89 0.00 0.93 0.00 0.00 0.00 179.25 179.37 2ysx h GLU 23 N -0.26 0.31 -0.68 0.00 5.08 -1.44 -3.26 114.58 114.33 2ysx h GLU 23 Ca 0.15 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2ysx h GLU 23 Cb 0.56 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 2ysx h GLU 23 CO -0.68 0.52 -0.40 -1.91 -1.00 0.00 0.00 179.01 175.53 2ysx n GLU 24 N -4.73 -0.30 -0.01 2.33 2.13 0.12 -1.05 120.64 119.13 2ysx n GLU 24 Ca -0.05 1.19 -0.03 0.00 0.66 0.00 0.00 57.16 58.94 2ysx n GLU 24 Cb 0.22 -1.76 -0.02 0.00 0.27 0.00 0.00 31.44 30.15 2ysx n GLU 24 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2ysx h LEU 25 N 0.00 -0.33 -0.35 4.31 3.38 -1.44 -0.93 115.31 119.94 2ysx h LEU 25 Ca 0.11 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2ysx h LEU 25 Cb 0.28 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2ysx h LEU 25 CO -0.64 -0.09 -0.21 0.18 0.09 0.00 0.00 178.44 177.77 2ysx n LEU 26 N -3.14 -0.38 -0.20 1.67 4.32 -0.59 -0.86 117.00 117.82 2ysx n LEU 26 Ca -0.01 1.23 -0.07 0.00 -0.02 0.00 0.00 56.01 57.15 2ysx n LEU 26 Cb 0.07 -0.38 -0.06 0.00 -1.62 0.00 0.00 43.42 41.43 2ysx n LEU 26 CO 0.01 -0.82 0.49 -1.28 -1.22 0.00 0.00 177.39 174.58 2ysx h SER 27 N 0.00 -1.19 -0.39 -1.43 0.87 -0.89 0.16 113.55 110.68 2ysx h SER 27 Ca 0.06 0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 2ysx h SER 27 Cb 0.15 0.52 -0.06 0.00 -0.44 0.00 0.00 62.40 62.56 2ysx h SER 27 CO -0.33 -0.16 -0.39 0.03 -0.53 0.00 0.00 176.83 175.45 2ysx h ARG 28 N -0.06 -0.20 -0.32 2.24 3.08 -0.16 -2.22 114.38 116.75 2ysx h ARG 28 Ca 0.08 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.18 2ysx h ARG 28 Cb 0.26 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.28 2ysx h ARG 28 CO -0.48 -0.13 -0.56 1.15 -1.07 0.00 0.00 179.97 178.88 2ysx h THR 29 N -0.20 0.00 -4.58 2.04 2.02 -0.17 -3.47 112.91 108.55 2ysx h THR 29 Ca 0.07 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.06 2ysx h THR 29 Cb 0.38 0.00 0.13 0.00 -1.74 0.00 0.00 68.15 66.91 2ysx h THR 29 CO -0.47 0.00 -0.56 0.61 0.37 0.00 0.00 175.52 175.47 2ysx n GLY 30 N -1.39 -0.37 3.36 2.16 0.00 0.49 -5.05 105.19 104.39 2ysx n GLY 30 Ca -0.04 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 2ysx n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysx s LYS 31 N -4.21 1.34 -0.19 1.61 1.02 -1.26 -5.03 119.74 113.02 2ysx s LYS 31 Ca 0.22 -1.33 -0.04 0.00 0.02 0.00 0.00 55.97 54.84 2ysx s LYS 31 Cb -0.03 -1.73 -0.08 0.00 -0.52 0.00 0.00 37.83 35.47 2ysx s LYS 31 CO 0.49 0.40 2.99 -3.47 -0.92 0.00 0.00 175.35 174.85 2ysx n ASP 32 N 0.83 5.80 0.00 2.83 2.03 -1.26 -3.57 116.55 123.21 2ysx n ASP 32 Ca -0.17 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.36 2ysx n ASP 32 Cb 0.54 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 2ysx n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ysx n GLY 33 N 1.61 0.00 3.77 0.27 0.00 -1.26 -4.99 105.19 104.59 2ysx n GLY 33 Ca 0.39 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 2ysx n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysx s SER 34 N 0.00 6.54 0.19 1.61 0.01 -1.23 -1.74 113.70 119.08 2ysx s SER 34 Ca 0.00 0.64 -0.11 0.00 1.31 0.00 0.00 55.95 57.79 2ysx s SER 34 Cb 0.00 -2.20 -0.00 0.00 0.21 0.00 0.00 66.02 64.03 2ysx s SER 34 CO 0.00 0.17 0.38 0.72 0.41 0.00 0.00 173.24 174.92 2ysx s PHE 35 N -0.02 0.31 0.03 2.43 -0.71 -1.23 0.48 117.98 119.26 2ysx s PHE 35 Ca 0.19 -0.66 -0.29 0.00 -1.04 0.00 0.00 56.93 55.13 2ysx s PHE 35 Cb -0.14 0.08 0.10 0.00 -1.21 0.00 0.00 43.02 41.86 2ysx s PHE 35 CO 0.07 -0.83 1.18 -0.48 -1.34 0.00 0.00 175.22 173.81 2ysx s LEU 36 N -2.97 -0.10 -0.00 -1.99 0.05 0.06 -1.96 118.68 111.76 2ysx s LEU 36 Ca 0.18 -0.21 0.03 0.00 0.05 0.00 0.00 54.13 54.18 2ysx s LEU 36 Cb 0.01 1.63 -0.01 0.00 -2.05 0.00 0.00 46.19 45.78 2ysx s LEU 36 CO 0.02 -0.49 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.54 2ysx s VAL 37 N -2.70 0.84 0.04 1.48 1.01 -0.13 -1.07 120.40 119.88 2ysx s VAL 37 Ca 0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 2ysx s VAL 37 Cb 0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2ysx s VAL 37 CO -0.02 0.21 -0.01 0.00 0.00 0.00 0.00 175.10 175.28 2ysx s ARG 38 N -0.31 0.51 0.16 2.72 1.70 -0.24 -0.80 118.95 122.69 2ysx s ARG 38 Ca 0.04 -0.97 -0.28 0.00 -0.47 0.00 0.00 55.73 54.05 2ysx s ARG 38 Cb -0.04 0.18 -0.07 0.00 -0.57 0.00 0.00 34.95 34.44 2ysx s ARG 38 CO -0.00 -0.10 0.88 0.00 -1.08 0.00 0.00 175.30 175.00 2ysx s ALA 39 N -2.99 3.35 -0.82 7.88 0.00 0.18 -0.68 121.76 128.69 2ysx s ALA 39 Ca -0.02 0.49 -0.24 0.00 0.00 0.00 0.00 51.96 52.19 2ysx s ALA 39 Cb 0.01 -3.13 0.05 0.00 0.00 0.00 0.00 23.12 20.05 2ysx s ALA 39 CO -0.07 0.16 1.26 0.45 0.00 0.00 0.00 175.76 177.56 2ysx s SER 40 N -0.74 6.30 0.31 0.00 0.15 -1.10 -4.63 113.70 113.99 2ysx s SER 40 Ca 0.41 -0.98 0.08 0.00 0.70 0.00 0.00 55.95 56.15 2ysx s SER 40 Cb -0.24 -2.52 0.88 0.00 -1.71 0.00 0.00 66.02 62.43 2ysx s SER 40 CO 0.29 -1.60 1.65 1.05 1.20 0.00 0.00 173.24 175.83 2ysx h GLU 41 N 9.77 0.25 0.24 5.44 4.11 -1.93 -0.25 114.58 132.21 2ysx h GLU 41 Ca -0.10 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.32 2ysx h GLU 41 Cb 1.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 2ysx h GLU 41 CO 1.29 0.16 -0.36 1.03 0.07 0.00 0.00 179.01 181.20 2ysx h SER 42 N 0.26 -1.02 -3.29 3.06 0.87 -1.98 -3.40 113.55 108.04 2ysx h SER 42 Ca 0.64 0.10 -0.65 0.00 -1.23 0.00 0.00 61.79 60.65 2ysx h SER 42 Cb 1.37 0.37 -0.36 0.00 -0.44 0.00 0.00 62.40 63.33 2ysx h SER 42 CO -0.64 -0.47 -0.83 -0.63 -0.53 0.00 0.00 176.83 173.72 2ysx s ILE 43 N -5.98 1.91 0.30 2.23 -1.09 -0.11 -5.00 121.20 113.46 2ysx s ILE 43 Ca -0.16 -1.03 -0.02 0.00 -2.23 0.00 0.00 60.65 57.21 2ysx s ILE 43 Cb 0.07 -1.84 0.25 0.00 -1.58 0.00 0.00 42.46 39.36 2ysx s ILE 43 CO 0.63 0.35 1.95 -1.28 -1.23 0.00 0.00 174.94 175.37 2ysx h SER 44 N 7.93 0.93 -0.28 3.58 0.87 -1.78 -2.96 113.55 121.85 2ysx h SER 44 Ca -0.36 -0.04 -0.39 0.00 -1.23 0.00 0.00 61.79 59.77 2ysx h SER 44 Cb 1.11 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.77 2ysx h SER 44 CO 0.55 0.70 0.89 -1.14 -0.53 0.00 0.00 176.83 177.30 2ysx n ARG 45 N -4.40 2.64 -3.57 2.24 0.63 -1.26 -4.80 116.66 108.15 2ysx n ARG 45 Ca 0.09 -1.69 -0.08 0.00 -0.92 0.00 0.00 57.85 55.25 2ysx n ARG 45 Cb 0.05 -2.25 -0.04 0.00 0.45 0.00 0.00 32.46 30.67 2ysx n ARG 45 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ysx s ALA 46 N 0.60 -1.95 0.37 5.13 0.00 -1.12 -4.12 121.76 120.67 2ysx s ALA 46 Ca 0.65 1.47 0.04 0.00 0.00 0.00 0.00 51.96 54.13 2ysx s ALA 46 Cb 0.29 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 2ysx s ALA 46 CO -0.06 -0.45 0.16 0.71 0.00 0.00 0.00 175.76 176.12 2ysx s TYR 47 N -1.83 1.74 -0.05 0.00 1.51 -0.31 -2.72 117.35 115.69 2ysx s TYR 47 Ca 0.03 -1.35 -0.02 0.00 -1.01 0.00 0.00 57.07 54.72 2ysx s TYR 47 Cb -0.01 -1.02 0.03 0.00 -0.11 0.00 0.00 41.96 40.85 2ysx s TYR 47 CO -0.03 -0.43 0.04 0.00 -1.11 0.00 0.00 175.55 174.02 2ysx s ALA 48 N -3.35 0.38 -0.60 3.71 0.00 0.15 0.14 121.76 122.18 2ysx s ALA 48 Ca 0.30 0.09 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 2ysx s ALA 48 Cb 0.03 -0.65 0.15 0.00 0.00 0.00 0.00 23.12 22.65 2ysx s ALA 48 CO 0.17 -0.48 0.48 -1.17 0.00 0.00 0.00 175.76 174.77 2ysx s LEU 49 N 2.10 5.90 0.14 0.00 2.96 -0.81 -1.08 118.68 127.89 2ysx s LEU 49 Ca 0.05 -2.31 -0.27 0.00 -0.22 0.00 0.00 54.13 51.38 2ysx s LEU 49 Cb -0.12 -2.04 -0.07 0.00 0.50 0.00 0.00 46.19 44.46 2ysx s LEU 49 CO -0.04 -0.60 0.85 0.00 -1.32 0.00 0.00 176.35 175.24 2ysx s VAL 51 N -0.61 -0.13 0.40 0.00 1.01 -0.77 -0.76 120.40 119.53 2ysx s VAL 51 Ca 0.40 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 2ysx s VAL 51 Cb -0.23 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 2ysx s VAL 51 CO 0.27 -0.11 1.12 -0.22 0.00 0.00 0.00 175.10 176.17 2ysx s LEU 52 N 2.18 4.18 -0.28 3.92 2.96 0.18 -0.19 118.68 131.63 2ysx s LEU 52 Ca 0.03 2.23 -0.25 0.00 -0.22 0.00 0.00 54.13 55.92 2ysx s LEU 52 Cb -0.15 -4.07 0.14 0.00 0.50 0.00 0.00 46.19 42.61 2ysx s LEU 52 CO -0.07 -0.60 1.12 -0.47 -1.32 0.00 0.00 176.35 175.00 2ysx s TYR 53 N -1.49 -0.37 -1.46 5.38 5.04 0.15 -4.16 117.35 120.44 2ysx s TYR 53 Ca 0.57 0.88 -0.01 0.00 -2.44 0.00 0.00 57.07 56.08 2ysx s TYR 53 Cb -0.28 0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.43 2ysx s TYR 53 CO 0.35 -0.19 0.01 0.54 -1.34 0.00 0.00 175.55 174.92 2ysx n ARG 54 N 1.93 -0.93 -3.71 4.97 5.12 -1.26 0.65 116.66 123.44 2ysx n ARG 54 Ca -0.12 0.08 -0.22 0.00 -1.93 0.00 0.00 57.85 55.67 2ysx n ARG 54 Cb 0.56 -3.36 0.03 0.00 -1.16 0.00 0.00 32.46 28.54 2ysx n ARG 54 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2ysx n ASN 55 N -2.70 -1.38 -3.60 0.55 4.13 -1.26 -4.99 115.26 106.01 2ysx n ASN 55 Ca -0.31 -0.81 -0.15 0.00 1.68 0.00 0.00 54.58 54.99 2ysx n ASN 55 Cb 0.66 -4.06 -0.07 0.00 -1.54 0.00 0.00 39.78 34.77 2ysx n ASN 55 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ysx s VAL 57 N -0.21 5.20 -0.85 0.00 1.01 -1.26 0.29 120.40 124.57 2ysx s VAL 57 Ca -0.04 0.67 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 2ysx s VAL 57 Cb -0.03 -3.72 0.22 0.00 0.00 0.00 0.00 36.38 32.85 2ysx s VAL 57 CO 0.04 0.24 0.77 -0.31 0.00 0.00 0.00 175.10 175.84 2ysx s TYR 58 N 1.44 3.81 -0.37 5.22 1.51 0.73 -4.89 117.35 124.79 2ysx s TYR 58 Ca 0.18 -2.48 -0.29 0.00 -1.01 0.00 0.00 57.07 53.47 2ysx s TYR 58 Cb -0.15 -3.59 0.00 0.00 -0.11 0.00 0.00 41.96 38.12 2ysx s TYR 58 CO 0.08 -0.90 1.49 0.99 -1.11 0.00 0.00 175.55 176.09 2ysx s THR 59 N -0.45 3.84 -1.01 -0.71 2.01 -1.26 -1.85 115.64 116.20 2ysx s THR 59 Ca 0.22 0.87 -0.10 0.00 0.31 0.00 0.00 61.69 62.99 2ysx s THR 59 Cb -0.12 -4.05 0.26 0.00 0.01 0.00 0.00 72.50 68.60 2ysx s THR 59 CO -0.08 -0.62 0.99 -0.31 -0.69 0.00 0.00 174.62 173.91 2ysx s TYR 60 N 5.54 4.10 -0.12 4.92 2.02 0.94 -4.90 117.35 129.86 2ysx s TYR 60 Ca 0.65 -2.52 -0.35 0.00 -0.37 0.00 0.00 57.07 54.48 2ysx s TYR 60 Cb -0.17 -3.79 -0.12 0.00 -0.40 0.00 0.00 41.96 37.48 2ysx s TYR 60 CO 0.31 -0.95 1.87 0.54 -1.57 0.00 0.00 175.55 175.76 2ysx n ARG 61 N 3.04 2.05 -3.19 -0.62 1.74 -1.26 -1.92 116.66 116.50 2ysx n ARG 61 Ca 0.21 0.75 -0.45 0.00 -0.77 0.00 0.00 57.85 57.59 2ysx n ARG 61 Cb 0.41 -2.58 -0.04 0.00 -1.02 0.00 0.00 32.46 29.23 2ysx n ARG 61 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ysx s ILE 62 N 4.08 5.03 -0.09 0.55 1.09 0.12 -2.46 121.20 129.52 2ysx s ILE 62 Ca 0.94 -1.35 -0.06 0.00 -1.10 0.00 0.00 60.65 59.08 2ysx s ILE 62 Cb -0.74 -4.45 -0.04 0.00 -1.06 0.00 0.00 42.46 36.17 2ysx s ILE 62 CO 0.53 -1.05 0.14 -0.76 -0.10 0.00 0.00 174.94 173.70 2ysx s LEU 63 N 2.06 4.33 -0.17 2.97 2.01 -1.26 -1.16 118.68 127.46 2ysx s LEU 63 Ca 0.10 0.42 -0.29 0.00 0.01 0.00 0.00 54.13 54.37 2ysx s LEU 63 Cb -0.24 -2.17 -0.03 0.00 0.01 0.00 0.00 46.19 43.76 2ysx s LEU 63 CO 0.03 0.37 1.58 -2.16 1.01 0.00 0.00 176.35 177.18 2ysx s PRO 64 N -1.23 3.96 1.07 1.29 0.04 -1.26 -3.93 135.00 134.94 2ysx s PRO 64 Ca 0.18 1.80 -0.18 0.00 0.04 0.00 0.00 61.00 62.84 2ysx s PRO 64 Cb -0.12 -3.98 0.28 0.00 0.04 0.00 0.00 34.50 30.71 2ysx s PRO 64 CO 0.07 -1.09 0.64 0.27 0.04 0.00 0.00 177.00 176.93 2ysx n ASN 65 N 7.83 -3.54 -0.30 6.66 6.94 -0.65 -4.59 115.26 127.61 2ysx n ASN 65 Ca 0.18 -0.65 0.12 0.00 -0.02 0.00 0.00 54.58 54.20 2ysx n ASN 65 Cb 0.44 -0.72 0.35 0.00 -2.36 0.00 0.00 39.78 37.49 2ysx n ASN 65 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2ysx h GLU 66 N 0.00 0.73 -0.47 -3.83 4.11 -1.94 0.52 114.58 113.70 2ysx h GLU 66 Ca -0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.10 2ysx h GLU 66 Cb 0.97 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2ysx h GLU 66 CO 0.17 0.48 0.00 -0.25 0.07 0.00 0.00 179.01 179.49 2ysx n ASP 67 N -4.60 1.02 -2.31 3.06 9.92 -1.26 -4.84 116.55 117.54 2ysx n ASP 67 Ca 0.19 -2.06 -0.19 0.00 -0.53 0.00 0.00 54.79 52.21 2ysx n ASP 67 Cb 0.48 -0.27 -0.02 0.00 -0.64 0.00 0.00 41.12 40.67 2ysx n ASP 67 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2ysx n ASP 68 N -0.08 -5.32 -4.85 -2.24 2.03 0.18 -4.96 116.55 101.31 2ysx n ASP 68 Ca 0.04 0.09 -0.37 0.00 0.52 0.00 0.00 54.79 55.07 2ysx n ASP 68 Cb 0.21 -4.49 -0.06 0.00 -0.72 0.00 0.00 41.12 36.07 2ysx n ASP 68 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2ysx s LYS 69 N -4.87 3.80 -0.65 -0.67 -0.14 -1.25 -4.74 119.74 111.21 2ysx s LYS 69 Ca 0.00 0.26 -0.27 0.00 -1.36 0.00 0.00 55.97 54.60 2ysx s LYS 69 Cb 0.00 -3.16 0.00 0.00 -1.68 0.00 0.00 37.83 32.99 2ysx s LYS 69 CO 0.00 0.68 1.56 -0.06 -0.76 0.00 0.00 175.35 176.76 2ysx s PHE 70 N -1.15 2.01 -0.24 3.18 0.08 -0.37 -1.64 117.98 119.85 2ysx s PHE 70 Ca 0.24 0.40 -0.01 0.00 0.12 0.00 0.00 56.93 57.69 2ysx s PHE 70 Cb -0.15 -4.35 0.07 0.00 -0.57 0.00 0.00 43.02 38.02 2ysx s PHE 70 CO 0.13 -2.18 0.03 0.95 -0.10 0.00 0.00 175.22 174.06 2ysx s THR 71 N 7.22 0.92 0.24 0.64 -4.23 -1.25 -3.56 115.64 115.61 2ysx s THR 71 Ca 0.52 -1.01 -0.27 0.00 -1.18 0.00 0.00 61.69 59.75 2ysx s THR 71 Cb -0.11 -1.44 -0.16 0.00 1.34 0.00 0.00 72.50 72.13 2ysx s THR 71 CO 0.19 -0.33 0.58 0.52 -0.54 0.00 0.00 174.62 175.04 2ysx n VAL 72 N 4.88 1.89 -1.04 2.29 0.31 -1.26 -4.22 118.33 121.17 2ysx n VAL 72 Ca -0.07 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.46 2ysx n VAL 72 Cb 0.45 -0.20 -0.03 0.00 -0.91 0.00 0.00 33.84 33.14 2ysx n VAL 72 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2ysx n GLN 73 N 0.96 2.89 -4.16 5.55 7.27 -1.03 -4.81 117.38 124.05 2ysx n GLN 73 Ca 0.16 -1.79 -0.27 0.00 0.07 0.00 0.00 57.00 55.17 2ysx n GLN 73 Cb 0.28 -2.59 -0.17 0.00 2.41 0.00 0.00 30.24 30.18 2ysx n GLN 73 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ysx s ALA 74 N 2.59 1.46 -0.14 1.69 0.00 -1.26 -4.89 121.76 121.21 2ysx s ALA 74 Ca 0.57 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 2ysx s ALA 74 Cb 0.16 -0.85 -0.06 0.00 0.00 0.00 0.00 23.12 22.37 2ysx s ALA 74 CO -0.04 -0.24 2.07 -1.12 0.00 0.00 0.00 175.76 176.42 2ysx s SER 75 N 1.33 5.87 -0.43 0.00 0.01 -1.26 -4.86 113.70 114.35 2ysx s SER 75 Ca -0.01 2.08 0.04 0.00 1.31 0.00 0.00 55.95 59.37 2ysx s SER 75 Cb -0.14 -2.52 0.45 0.00 0.21 0.00 0.00 66.02 64.03 2ysx s SER 75 CO -0.05 -1.60 1.50 1.21 0.41 0.00 0.00 173.24 174.70 2ysx n GLU 76 N 8.26 3.28 0.00 12.44 4.07 -1.26 -5.05 120.64 142.38 2ysx n GLU 76 Ca 0.25 -3.86 0.00 0.00 -0.06 0.00 0.00 57.16 53.50 2ysx n GLU 76 Cb 0.44 -2.28 0.00 0.00 -0.06 0.00 0.00 31.44 29.54 2ysx n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ysx n GLY 77 N -0.78 2.37 3.25 8.31 0.00 -1.26 -4.57 105.19 112.52 2ysx n GLY 77 Ca 0.51 0.32 -0.34 0.00 0.00 0.00 0.00 46.02 46.51 2ysx n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ysx n VAL 78 N 0.00 0.00 -1.23 1.61 0.24 -1.26 -4.79 118.33 112.89 2ysx n VAL 78 Ca 0.00 -0.25 -0.40 0.00 -2.04 0.00 0.00 64.34 61.66 2ysx n VAL 78 Cb 0.00 -0.48 -0.00 0.00 -1.47 0.00 0.00 33.84 31.89 2ysx n VAL 78 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ysx n SER 79 N -0.47 -2.89 -4.13 -1.34 7.64 -1.26 -4.97 113.62 106.20 2ysx n SER 79 Ca 0.01 0.75 -0.24 0.00 1.01 0.00 0.00 58.87 60.40 2ysx n SER 79 Cb 0.62 -0.84 -0.15 0.00 -1.01 0.00 0.00 64.21 62.83 2ysx n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ysx s MET 80 N -0.96 1.37 0.75 1.43 0.00 -1.26 -5.05 119.30 115.58 2ysx s MET 80 Ca 0.56 -0.56 -0.15 0.00 0.00 0.00 0.00 55.69 55.54 2ysx s MET 80 Cb -0.59 -1.29 0.02 0.00 0.00 0.00 0.00 34.83 32.98 2ysx s MET 80 CO 0.61 0.30 0.98 0.54 0.00 0.00 0.00 175.02 177.45 2ysx n ARG 81 N 2.84 0.40 -5.17 3.16 1.74 -1.26 -5.01 116.66 113.35 2ysx n ARG 81 Ca -0.16 0.20 -0.31 0.00 -0.77 0.00 0.00 57.85 56.81 2ysx n ARG 81 Cb 0.54 -2.24 -0.17 0.00 -1.02 0.00 0.00 32.46 29.57 2ysx n ARG 81 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2ysx s PHE 82 N -1.91 2.43 0.24 -1.55 0.08 -1.26 -4.98 117.98 111.03 2ysx s PHE 82 Ca 0.72 -0.93 0.10 0.00 0.12 0.00 0.00 56.93 56.94 2ysx s PHE 82 Cb -0.33 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 2ysx s PHE 82 CO 0.51 -0.36 -0.07 -0.06 -0.10 0.00 0.00 175.22 175.14 2ysx s PHE 83 N 0.26 2.60 -0.08 0.36 0.40 -1.23 -5.00 117.98 115.29 2ysx s PHE 83 Ca -0.15 -0.24 0.11 0.00 -0.60 0.00 0.00 56.93 56.05 2ysx s PHE 83 Cb -0.17 -1.19 -0.16 0.00 0.51 0.00 0.00 43.02 42.01 2ysx s PHE 83 CO 0.07 0.60 0.13 2.41 0.70 0.00 0.00 175.22 179.13 2ysx n THR 84 N -0.51 0.50 -4.89 0.64 -1.04 -1.26 -1.24 114.28 106.48 2ysx n THR 84 Ca -0.08 -0.42 -0.33 0.00 -2.04 0.00 0.00 64.05 61.19 2ysx n THR 84 Cb 0.58 -0.35 -0.15 0.00 -1.82 0.00 0.00 70.33 68.58 2ysx n THR 84 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2ysx s LYS 85 N -2.50 3.24 0.09 -2.82 -0.14 -1.26 -4.75 119.74 111.60 2ysx s LYS 85 Ca -0.05 -0.76 -0.20 0.00 -1.36 0.00 0.00 55.97 53.59 2ysx s LYS 85 Cb 0.05 -2.51 -0.06 0.00 -1.68 0.00 0.00 37.83 33.63 2ysx s LYS 85 CO 0.49 0.17 1.35 -0.07 -0.76 0.00 0.00 175.35 176.53 2ysx h LEU 86 N 6.80 -1.30 -0.93 3.17 -0.00 -1.96 0.17 115.31 121.26 2ysx h LEU 86 Ca -0.24 0.19 0.23 0.00 -0.00 0.00 0.00 57.88 58.05 2ysx h LEU 86 Cb 1.22 0.56 -0.17 0.00 -0.00 0.00 0.00 40.66 42.27 2ysx h LEU 86 CO 0.53 -0.19 -0.04 -0.78 -0.00 0.00 0.00 178.44 177.95 2ysx h ASP 87 N -0.11 -0.55 0.22 -0.43 3.58 -1.99 1.64 116.42 118.78 2ysx h ASP 87 Ca 0.08 0.26 -0.05 0.00 0.42 0.00 0.00 57.03 57.74 2ysx h ASP 87 Cb 0.31 0.48 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2ysx h ASP 87 CO -0.50 -0.30 -0.22 1.56 -2.88 0.00 0.00 179.24 176.89 2ysx h GLN 88 N 0.03 0.01 0.09 0.28 1.08 -1.20 -1.86 115.11 113.55 2ysx h GLN 88 Ca 0.52 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.71 2ysx h GLN 88 Cb 0.98 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 2ysx h GLN 88 CO -0.88 0.24 -0.04 1.25 -0.95 0.00 0.00 178.83 178.44 2ysx h LEU 89 N 0.01 -0.11 -0.05 1.46 6.46 0.44 -3.32 115.31 120.21 2ysx h LEU 89 Ca 0.00 -0.35 0.04 0.00 -0.12 0.00 0.00 57.88 57.44 2ysx h LEU 89 Cb 0.40 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.30 2ysx h LEU 89 CO 0.03 0.52 -0.36 0.40 -0.62 0.00 0.00 178.44 178.42 2ysx h ILE 90 N -0.97 0.24 -0.90 4.05 1.08 -0.38 -1.07 117.51 119.57 2ysx h ILE 90 Ca -0.01 0.00 0.35 0.00 -0.39 0.00 0.00 64.86 64.81 2ysx h ILE 90 Cb 0.45 0.24 -0.16 0.00 -3.07 0.00 0.00 36.82 34.28 2ysx h ILE 90 CO 0.02 0.00 0.40 -0.62 -0.69 0.00 0.00 178.15 177.26 2ysx n GLU 91 N -5.43 -0.06 -0.02 2.37 -0.58 -0.70 0.13 120.64 116.35 2ysx n GLU 91 Ca -0.04 1.25 -0.16 0.00 -0.42 0.00 0.00 57.16 57.79 2ysx n GLU 91 Cb 0.34 -2.21 -0.09 0.00 -0.57 0.00 0.00 31.44 28.91 2ysx n GLU 91 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2ysx h PHE 92 N 0.00 0.56 0.00 -0.32 3.57 -1.32 -3.19 116.94 116.25 2ysx h PHE 92 Ca 0.72 -0.26 -0.02 0.00 3.53 0.00 0.00 57.97 61.95 2ysx h PHE 92 Cb 1.86 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.51 2ysx h PHE 92 CO -0.09 1.03 -0.08 1.88 -2.23 0.00 0.00 178.31 178.82 2ysx h TYR 93 N -0.06 0.00 -0.98 0.41 -1.99 0.18 -2.59 116.97 111.94 2ysx h TYR 93 Ca -0.04 0.00 0.29 0.00 2.00 0.00 0.00 58.73 60.98 2ysx h TYR 93 Cb 1.10 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.69 2ysx h TYR 93 CO 0.13 0.08 0.52 0.87 -0.00 0.00 0.00 178.16 179.76 2ysx h LYS 94 N 0.00 0.37 -6.08 4.88 1.57 -0.36 -3.39 116.57 113.56 2ysx h LYS 94 Ca -0.00 -0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 58.23 2ysx h LYS 94 Cb 0.15 -0.08 0.24 0.00 0.08 0.00 0.00 32.23 32.62 2ysx h LYS 94 CO 0.01 0.25 -2.01 1.63 -0.57 0.00 0.00 179.45 178.76 2ysx n LYS 95 N -5.03 -0.08 -0.09 3.15 5.02 -0.98 -3.48 118.16 116.67 2ysx n LYS 95 Ca 0.29 -0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.37 2ysx n LYS 95 Cb 0.87 -1.09 -0.07 0.00 -0.02 0.00 0.00 35.03 34.72 2ysx n LYS 95 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2ysx n GLU 96 N 2.04 0.41 -0.37 1.97 -0.00 -1.26 -4.36 120.64 119.07 2ysx n GLU 96 Ca -0.01 0.16 -0.10 0.00 -0.00 0.00 0.00 57.16 57.21 2ysx n GLU 96 Cb 0.62 -1.20 -0.09 0.00 -0.00 0.00 0.00 31.44 30.77 2ysx n GLU 96 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2ysx n ASN 97 N -3.71 -0.93 -3.78 -1.84 3.02 -1.26 -3.68 115.26 103.08 2ysx n ASN 97 Ca -0.36 1.68 -0.30 0.00 -0.03 0.00 0.00 54.58 55.57 2ysx n ASN 97 Cb 0.78 -0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 39.55 2ysx n ASN 97 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2ysx s MET 98 N -5.20 1.34 0.00 3.52 -1.94 -1.26 -5.07 119.30 110.69 2ysx s MET 98 Ca -0.10 -1.98 0.00 0.00 -1.71 0.00 0.00 55.69 51.89 2ysx s MET 98 Cb 0.10 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.42 2ysx s MET 98 CO 0.54 -1.11 0.00 0.41 -0.01 0.00 0.00 175.02 174.85 2ysx n GLY 99 N 3.69 4.57 3.93 -0.03 0.00 -1.24 -4.83 105.19 111.28 2ysx n GLY 99 Ca 0.06 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 2ysx n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ysx s LEU 100 N 0.00 2.73 0.37 0.99 1.43 -1.26 -4.88 118.68 118.06 2ysx s LEU 100 Ca 0.00 0.22 0.23 0.00 -1.03 0.00 0.00 54.13 53.55 2ysx s LEU 100 Cb 0.00 -2.21 1.32 0.00 0.03 0.00 0.00 46.19 45.33 2ysx s LEU 100 CO 0.00 -2.82 1.49 0.55 0.23 0.00 0.00 176.35 175.80 2ysx n VAL 101 N -3.82 -0.35 -3.74 -1.59 3.14 -1.26 -4.18 118.33 106.54 2ysx n VAL 101 Ca 0.16 1.85 -0.14 0.00 -2.96 0.00 0.00 64.34 63.25 2ysx n VAL 101 Cb 0.59 -3.02 -0.14 0.00 -1.06 0.00 0.00 33.84 30.21 2ysx n VAL 101 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2ysx s THR 102 N -5.35 -0.06 -0.05 1.55 -1.32 -1.26 -5.12 115.64 104.04 2ysx s THR 102 Ca -0.08 0.19 -0.35 0.00 -1.21 0.00 0.00 61.69 60.24 2ysx s THR 102 Cb 0.31 -0.24 -0.13 0.00 -1.51 0.00 0.00 72.50 70.93 2ysx s THR 102 CO 0.75 0.08 1.75 0.00 -2.21 0.00 0.00 174.62 174.99 2ysx n HIS 103 N 4.27 2.21 -1.71 9.09 -0.00 -1.26 -4.80 115.22 123.02 2ysx n HIS 103 Ca -0.26 0.19 -0.58 0.00 -0.00 0.00 0.00 57.72 57.07 2ysx n HIS 103 Cb 0.51 -2.58 -0.07 0.00 -0.00 0.00 0.00 29.99 27.85 2ysx n HIS 103 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2ysx n LEU 104 N 5.40 2.20 0.04 2.39 4.77 -1.23 -4.83 117.00 125.74 2ysx n LEU 104 Ca 0.22 1.09 -0.01 0.00 -0.03 0.00 0.00 56.01 57.28 2ysx n LEU 104 Cb 0.26 -1.11 -0.00 0.00 -2.33 0.00 0.00 43.42 40.23 2ysx n LEU 104 CO 0.71 -0.52 -0.04 0.00 -1.33 0.00 0.00 177.39 176.21 2ysx n GLN 105 N 5.03 0.03 -3.71 3.23 6.02 -1.24 -4.92 117.38 121.83 2ysx n GLN 105 Ca 0.26 0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.89 2ysx n GLN 105 Cb 0.11 -0.51 -0.10 0.00 1.02 0.00 0.00 30.24 30.76 2ysx n GLN 105 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2ysx s TYR 106 N -1.96 3.50 -0.99 1.08 2.02 -0.71 -5.03 117.35 115.27 2ysx s TYR 106 Ca -0.02 -2.43 -0.24 0.00 -0.37 0.00 0.00 57.07 54.01 2ysx s TYR 106 Cb 0.00 -3.28 -0.06 0.00 -0.40 0.00 0.00 41.96 38.23 2ysx s TYR 106 CO 0.03 -0.93 1.94 -1.25 -1.57 0.00 0.00 175.55 173.77 2ysx s PRO 107 N 0.70 2.55 -0.36 -1.71 0.04 -1.26 -3.53 135.00 131.43 2ysx s PRO 107 Ca 0.11 -0.57 -0.32 0.00 0.04 0.00 0.00 61.00 60.26 2ysx s PRO 107 Cb -0.22 -5.12 -0.14 0.00 0.04 0.00 0.00 34.50 29.06 2ysx s PRO 107 CO -0.04 -3.55 1.47 0.28 0.04 0.00 0.00 177.00 175.21 2ysx n VAL 108 N 7.85 0.00 -0.79 -0.36 0.31 -0.83 -4.48 118.33 120.03 2ysx n VAL 108 Ca 0.42 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.58 2ysx n VAL 108 Cb 0.47 -0.36 0.14 0.00 -0.91 0.00 0.00 33.84 33.17 2ysx n VAL 108 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2ysx n PRO 109 N 4.96 -2.19 -1.68 5.55 -0.04 -1.26 -4.12 135.00 136.22 2ysx n PRO 109 Ca 0.37 -0.95 -0.30 0.00 -0.04 0.00 0.00 63.50 62.58 2ysx n PRO 109 Cb -0.03 -0.89 0.07 0.00 -0.04 0.00 0.00 33.50 32.61 2ysx n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ysx s LEU 110 N 0.00 2.71 -0.05 1.53 1.43 -1.25 -4.90 118.68 118.14 2ysx s LEU 110 Ca 0.39 1.23 -0.29 0.00 -1.03 0.00 0.00 54.13 54.42 2ysx s LEU 110 Cb -0.04 -3.91 0.10 0.00 0.03 0.00 0.00 46.19 42.37 2ysx s LEU 110 CO 0.30 -1.74 0.82 -0.70 0.23 0.00 0.00 176.35 175.25 2ysx s GLU 111 N -5.24 0.88 -0.01 1.70 2.12 -1.26 -5.17 118.70 111.72 2ysx s GLU 111 Ca 0.60 0.02 0.04 0.00 0.36 0.00 0.00 54.97 55.99 2ysx s GLU 111 Cb -0.13 0.41 -0.01 0.00 0.26 0.00 0.00 34.13 34.66 2ysx s GLU 111 CO 0.53 -0.31 -0.13 -2.00 -0.54 0.00 0.00 175.26 172.81 2ysx s GLU 112 N -1.85 1.04 0.39 4.30 2.56 -1.26 -5.14 118.70 118.75 2ysx s GLU 112 Ca -0.03 -0.47 -0.23 0.00 0.00 0.00 0.00 54.97 54.24 2ysx s GLU 112 Cb -0.00 -1.01 -0.11 0.00 2.00 0.00 0.00 34.13 35.01 2ysx s GLU 112 CO 0.01 0.28 0.94 -1.83 -0.56 0.00 0.00 175.26 174.10 2ysx s GLU 113 N -0.33 4.34 0.07 4.30 -1.05 -1.26 -5.08 118.70 119.70 2ysx s GLU 113 Ca 0.05 1.18 -0.01 0.00 -0.15 0.00 0.00 54.97 56.03 2ysx s GLU 113 Cb -0.05 -2.39 -0.04 0.00 -0.44 0.00 0.00 34.13 31.22 2ysx s GLU 113 CO -0.00 0.07 0.00 0.16 0.95 0.00 0.00 175.26 176.44 2ysx s ASP 114 N -2.00 0.43 0.02 0.83 -4.77 -1.26 -5.17 116.67 104.75 2ysx s ASP 114 Ca 0.58 -1.04 0.04 0.00 -3.30 0.00 0.00 52.55 48.82 2ysx s ASP 114 Cb -0.12 0.23 -0.02 0.00 -1.09 0.00 0.00 42.92 41.92 2ysx s ASP 114 CO 0.17 -0.64 -0.11 -0.89 0.70 0.00 0.00 175.17 174.39 2ysx s THR 115 N -3.95 0.88 0.00 2.11 2.01 -1.26 -5.09 115.64 110.34 2ysx s THR 115 Ca 0.11 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.33 2ysx s THR 115 Cb 0.08 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.79 2ysx s THR 115 CO -0.07 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 2ysx n GLY 116 N 2.19 3.39 1.33 4.40 0.00 -1.26 -5.10 105.19 110.14 2ysx n GLY 116 Ca -0.17 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2ysx n GLY 116 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ysx n ASP 117 N 0.00 0.40 -4.75 1.61 -0.08 -1.26 -5.07 116.55 107.40 2ysx n ASP 117 Ca 0.00 0.15 -0.38 0.00 -1.51 0.00 0.00 54.79 53.04 2ysx n ASP 117 Cb 0.00 -0.06 0.04 0.00 2.34 0.00 0.00 41.12 43.45 2ysx n ASP 117 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2ysx n ASP 118 N -3.22 2.74 0.00 1.67 8.00 -1.26 -5.36 116.55 119.12 2ysx n ASP 118 Ca 0.00 0.98 0.08 0.00 0.71 0.00 0.00 54.79 56.56 2ysx n ASP 118 Cb 0.15 -1.58 0.46 0.00 -0.02 0.00 0.00 41.12 40.13 2ysx n ASP 118 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00