#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysx n SER 2 N 0.00 6.05 -0.06 1.61 2.88 -1.26 -4.65 113.62 118.19 2ysx n SER 2 Ca 0.00 -3.77 -0.12 0.00 -1.33 0.00 0.00 58.87 53.65 2ysx n SER 2 Cb 0.00 -0.65 -0.04 0.00 -0.75 0.00 0.00 64.21 62.77 2ysx n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ysx n SER 3 N -0.69 1.43 0.00 -3.46 2.88 -1.26 -5.15 113.62 107.37 2ysx n SER 3 Ca 0.50 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 2ysx n SER 3 Cb 0.70 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 2ysx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysx n GLY 4 N 2.07 0.64 3.54 0.46 0.00 -1.26 -5.00 105.19 105.63 2ysx n GLY 4 Ca -0.21 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2ysx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysx s SER 5 N -4.00 6.49 0.01 1.61 0.15 -1.26 -4.69 113.70 112.01 2ysx s SER 5 Ca 0.00 -1.47 -0.04 0.00 0.70 0.00 0.00 55.95 55.14 2ysx s SER 5 Cb 0.00 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2ysx s SER 5 CO 0.00 -1.46 -0.08 -1.20 1.20 0.00 0.00 173.24 171.70 2ysx n SER 6 N 8.51 1.00 0.00 5.45 7.64 -1.26 -5.16 113.62 129.80 2ysx n SER 6 Ca 0.28 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2ysx n SER 6 Cb 0.50 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2ysx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysx n GLY 7 N 2.88 -1.05 3.59 0.23 0.00 -1.26 -5.18 105.19 104.40 2ysx n GLY 7 Ca -0.03 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 2ysx n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2ysx s MET 8 N -1.55 0.34 0.35 1.61 0.00 -1.26 -5.09 119.30 113.70 2ysx s MET 8 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 55.69 55.41 2ysx s MET 8 Cb 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 34.83 34.87 2ysx s MET 8 CO 0.00 -0.15 -0.01 1.33 0.00 0.00 0.00 175.02 176.19 2ysx n VAL 9 N -0.12 0.26 -1.21 5.16 0.24 -1.26 -4.89 118.33 116.50 2ysx n VAL 9 Ca -0.01 -0.39 -0.30 0.00 -2.04 0.00 0.00 64.34 61.61 2ysx n VAL 9 Cb 0.59 0.00 0.14 0.00 -1.47 0.00 0.00 33.84 33.10 2ysx n VAL 9 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2ysx s PRO 10 N -0.78 1.22 -0.05 7.34 0.04 -1.26 -5.00 135.00 136.51 2ysx s PRO 10 Ca 0.45 0.80 -0.04 0.00 0.04 0.00 0.00 61.00 62.26 2ysx s PRO 10 Cb -0.44 -1.81 -0.27 0.00 0.04 0.00 0.00 34.50 32.02 2ysx s PRO 10 CO 0.50 -2.26 0.64 0.00 0.04 0.00 0.00 177.00 175.91 2ysx n TRP 12 N -3.43 0.08 -3.22 0.00 4.27 -1.26 -3.64 117.44 110.23 2ysx n TRP 12 Ca -0.23 0.04 -0.41 0.00 -3.89 0.00 0.00 57.50 53.01 2ysx n TRP 12 Cb 1.05 -0.56 -0.01 0.00 -1.36 0.00 0.00 31.31 30.43 2ysx n TRP 12 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2ysx n ASN 13 N -1.58 5.61 0.00 -0.67 2.85 -1.25 0.32 115.26 120.54 2ysx n ASN 13 Ca 0.01 -3.29 0.00 0.00 -0.11 0.00 0.00 54.58 51.19 2ysx n ASN 13 Cb 0.07 -1.20 0.00 0.00 1.24 0.00 0.00 39.78 39.89 2ysx n ASN 13 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2ysx n HIS 14 N 1.72 0.00 0.00 1.20 8.25 -0.97 -4.87 115.22 120.55 2ysx n HIS 14 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 2ysx n HIS 14 Cb 0.36 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.97 0.10 2.39 -1.41 0.00 -1.25 -4.94 105.19 99.11 2ysx n GLY 15 Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 2ysx n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ysx n ASN 16 N 0.00 7.88 -4.85 1.61 3.02 -1.26 0.67 115.26 122.32 2ysx n ASN 16 Ca 0.00 -2.92 -0.35 0.00 -0.03 0.00 0.00 54.58 51.29 2ysx n ASN 16 Cb 0.00 -1.41 -0.06 0.00 -0.61 0.00 0.00 39.78 37.70 2ysx n ASN 16 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2ysx s ILE 17 N -0.06 4.94 1.16 2.41 -4.36 -1.26 -4.97 121.20 119.06 2ysx s ILE 17 Ca 0.61 0.66 -0.17 0.00 -0.26 0.00 0.00 60.65 61.49 2ysx s ILE 17 Cb 0.22 -3.69 0.27 0.00 1.25 0.00 0.00 42.46 40.50 2ysx s ILE 17 CO -0.09 0.22 1.08 0.28 0.24 0.00 0.00 174.94 176.67 2ysx s THR 18 N -1.48 1.72 0.01 8.37 -1.32 -1.26 -4.87 115.64 116.81 2ysx s THR 18 Ca 0.37 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.64 2ysx s THR 18 Cb -0.14 -2.41 -0.12 0.00 -1.51 0.00 0.00 72.50 68.32 2ysx s THR 18 CO 0.19 0.00 1.00 -0.09 -2.21 0.00 0.00 174.62 173.51 2ysx h ARG 19 N -2.47 -0.74 -1.15 7.08 2.43 -2.00 -3.01 114.38 114.53 2ysx h ARG 19 Ca -0.50 0.05 0.38 0.00 -0.81 0.00 0.00 59.98 59.11 2ysx h ARG 19 Cb 1.32 0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 30.93 2ysx h ARG 19 CO 0.43 -0.49 0.76 0.43 -1.51 0.00 0.00 179.97 179.58 2ysx n SER 20 N -4.79 0.13 0.10 -3.80 7.64 -1.26 0.13 113.62 111.78 2ysx n SER 20 Ca -0.09 1.01 -0.12 0.00 1.01 0.00 0.00 58.87 60.68 2ysx n SER 20 Cb 0.30 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 2ysx n SER 20 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2ysx h LYS 21 N 0.00 -0.28 -0.19 1.43 1.63 -1.91 -0.70 116.57 116.55 2ysx h LYS 21 Ca 0.69 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.56 2ysx h LYS 21 Cb 2.32 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 34.00 2ysx h LYS 21 CO -0.30 0.10 0.35 0.00 -3.45 0.00 0.00 179.45 176.16 2ysx h ALA 22 N -0.22 1.70 0.00 5.00 0.00 0.13 -2.30 119.26 123.56 2ysx h ALA 22 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ysx h ALA 22 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ysx h ALA 22 CO 0.05 -0.45 -0.17 0.93 0.00 0.00 0.00 179.25 179.60 2ysx h GLU 23 N 0.00 0.00 -1.18 0.00 5.08 -1.21 -3.25 114.58 114.02 2ysx h GLU 23 Ca 0.09 0.00 0.42 0.00 -1.00 0.00 0.00 59.36 58.87 2ysx h GLU 23 Cb 0.80 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.91 2ysx h GLU 23 CO -0.00 0.00 0.74 -0.85 -1.00 0.00 0.00 179.01 177.90 2ysx n GLU 24 N -3.41 -0.04 0.31 2.33 0.28 -0.28 -0.04 120.64 119.80 2ysx n GLU 24 Ca -0.02 1.16 -0.13 0.00 -0.16 0.00 0.00 57.16 58.01 2ysx n GLU 24 Cb 0.09 -2.25 -0.06 0.00 1.43 0.00 0.00 31.44 30.65 2ysx n GLU 24 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2ysx h LEU 25 N 0.00 -0.71 -0.13 -1.84 3.38 -1.59 -2.43 115.31 112.00 2ysx h LEU 25 Ca 0.79 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.82 2ysx h LEU 25 Cb 2.46 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 43.35 2ysx h LEU 25 CO -0.48 -0.31 -0.12 -0.07 0.09 0.00 0.00 178.44 177.54 2ysx h LEU 26 N -1.22 -0.39 -0.12 1.67 3.38 -0.49 -2.53 115.31 115.61 2ysx h LEU 26 Ca -0.09 0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2ysx h LEU 26 Cb 0.65 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 2ysx h LEU 26 CO 0.14 -0.16 -0.45 0.28 0.09 0.00 0.00 178.44 178.33 2ysx h SER 27 N -0.15 -1.44 -0.73 -0.43 0.02 -0.81 0.94 113.55 110.96 2ysx h SER 27 Ca 0.09 0.17 0.11 0.00 -0.84 0.00 0.00 61.79 61.32 2ysx h SER 27 Cb 0.28 0.56 -0.12 0.00 0.14 0.00 0.00 62.40 63.25 2ysx h SER 27 CO -0.22 -0.40 -0.41 0.03 -1.14 0.00 0.00 176.83 174.69 2ysx h ARG 28 N -0.48 -0.13 0.26 3.45 3.08 -1.27 -1.40 114.38 117.89 2ysx h ARG 28 Ca 0.03 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2ysx h ARG 28 Cb 0.56 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 2ysx h ARG 28 CO -0.37 -0.09 -0.38 1.15 -1.07 0.00 0.00 179.97 179.22 2ysx h THR 29 N -0.14 0.23 -3.87 2.04 2.02 -0.97 -3.47 112.91 108.75 2ysx h THR 29 Ca 0.23 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.20 2ysx h THR 29 Cb 0.56 0.23 0.09 0.00 -1.74 0.00 0.00 68.15 67.28 2ysx h THR 29 CO -0.79 0.00 -0.40 0.61 0.37 0.00 0.00 175.52 175.31 2ysx n GLY 30 N -1.46 0.06 3.44 2.16 0.00 0.27 -5.03 105.19 104.63 2ysx n GLY 30 Ca -0.09 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -5.47 3.25 -1.29 1.61 1.02 -1.26 -5.04 119.74 112.56 2ysx s LYS 31 Ca 0.24 -0.63 -0.18 0.00 0.02 0.00 0.00 55.97 55.42 2ysx s LYS 31 Cb -0.11 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.58 2ysx s LYS 31 CO 0.42 0.34 1.85 -0.25 -0.92 0.00 0.00 175.35 176.78 2ysx n ASP 32 N 3.19 4.41 0.00 2.83 9.92 -1.26 -2.91 116.55 132.72 2ysx n ASP 32 Ca -0.18 -2.86 0.00 0.00 -0.53 0.00 0.00 54.79 51.22 2ysx n ASP 32 Cb 0.53 -1.71 0.00 0.00 -0.64 0.00 0.00 41.12 39.29 2ysx n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ysx n GLY 33 N 5.24 0.09 3.35 0.44 0.00 -0.83 -4.95 105.19 108.53 2ysx n GLY 33 Ca 0.49 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 2ysx n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ysx n SER 34 N 0.00 -2.58 -3.55 1.61 7.64 -1.14 -3.19 113.62 112.41 2ysx n SER 34 Ca 0.00 0.25 -0.03 0.00 1.01 0.00 0.00 58.87 60.10 2ysx n SER 34 Cb 0.00 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 2ysx n SER 34 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2ysx s PHE 35 N -2.33 -0.03 -0.12 1.43 -0.71 -1.23 -1.00 117.98 113.99 2ysx s PHE 35 Ca 0.55 -0.33 -0.33 0.00 -1.04 0.00 0.00 56.93 55.78 2ysx s PHE 35 Cb -0.19 0.67 0.13 0.00 -1.21 0.00 0.00 43.02 42.42 2ysx s PHE 35 CO 0.69 -0.88 1.17 -0.48 -1.34 0.00 0.00 175.22 174.39 2ysx s LEU 36 N -3.15 -0.15 0.00 -1.99 0.05 -0.10 -2.26 118.68 111.09 2ysx s LEU 36 Ca 0.17 -0.04 0.06 0.00 0.05 0.00 0.00 54.13 54.36 2ysx s LEU 36 Cb -0.02 1.49 -0.02 0.00 -2.05 0.00 0.00 46.19 45.60 2ysx s LEU 36 CO 0.04 -0.32 -0.19 -0.69 -0.55 0.00 0.00 176.35 174.64 2ysx s VAL 37 N -2.54 1.49 -0.07 1.48 1.01 0.15 -0.52 120.40 121.40 2ysx s VAL 37 Ca 0.10 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 2ysx s VAL 37 Cb 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.15 2ysx s VAL 37 CO -0.05 0.35 0.15 0.00 0.00 0.00 0.00 175.10 175.55 2ysx s ARG 38 N -0.64 0.12 0.38 2.72 1.70 -0.54 -2.29 118.95 120.40 2ysx s ARG 38 Ca 0.07 0.35 -0.28 0.00 -0.47 0.00 0.00 55.73 55.40 2ysx s ARG 38 Cb -0.08 -0.11 -0.11 0.00 -0.57 0.00 0.00 34.95 34.08 2ysx s ARG 38 CO -0.00 -0.13 1.42 0.00 -1.08 0.00 0.00 175.30 175.50 2ysx n ALA 39 N 3.93 1.99 -2.48 7.88 0.00 0.21 -1.95 120.51 130.09 2ysx n ALA 39 Ca -0.23 0.33 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 2ysx n ALA 39 Cb 0.53 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 2ysx n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ysx s SER 40 N -0.24 7.28 0.00 0.00 0.15 -1.18 -4.51 113.70 115.20 2ysx s SER 40 Ca 0.55 1.54 -0.14 0.00 0.70 0.00 0.00 55.95 58.60 2ysx s SER 40 Cb -0.50 -2.51 -0.08 0.00 -1.71 0.00 0.00 66.02 61.22 2ysx s SER 40 CO 0.62 -0.08 0.87 -0.33 1.20 0.00 0.00 173.24 175.52 2ysx h GLU 41 N 6.05 -0.50 -0.73 5.44 3.07 -1.92 -3.25 114.58 122.73 2ysx h GLU 41 Ca -0.43 0.03 0.11 0.00 -0.50 0.00 0.00 59.36 58.58 2ysx h GLU 41 Cb 1.21 0.11 -0.12 0.00 -0.84 0.00 0.00 28.75 29.12 2ysx h GLU 41 CO 0.73 -0.33 -0.29 0.45 -1.40 0.00 0.00 179.01 178.17 2ysx n SER 42 N -3.95 -0.48 -3.85 1.42 2.88 -1.26 -4.14 113.62 104.25 2ysx n SER 42 Ca -0.06 1.27 -0.21 0.00 -1.33 0.00 0.00 58.87 58.54 2ysx n SER 42 Cb 0.20 -0.29 -0.17 0.00 -0.75 0.00 0.00 64.21 63.21 2ysx n SER 42 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ysx s ILE 43 N -5.68 0.49 0.05 2.46 -1.09 -1.24 -5.05 121.20 111.14 2ysx s ILE 43 Ca -0.10 -0.04 -0.27 0.00 -2.23 0.00 0.00 60.65 58.01 2ysx s ILE 43 Cb 0.15 -0.56 -0.17 0.00 -1.58 0.00 0.00 42.46 40.30 2ysx s ILE 43 CO 0.52 0.24 1.53 0.28 -1.23 0.00 0.00 174.94 176.27 2ysx h SER 44 N 7.61 -0.39 -0.99 3.58 0.02 -1.71 -2.84 113.55 118.82 2ysx h SER 44 Ca -0.32 -0.06 0.34 0.00 -0.84 0.00 0.00 61.79 60.91 2ysx h SER 44 Cb 1.14 0.10 -0.16 0.00 0.14 0.00 0.00 62.40 63.63 2ysx h SER 44 CO 0.40 -0.18 0.52 0.03 -1.14 0.00 0.00 176.83 176.45 2ysx h ARG 45 N -0.59 0.22 -7.34 3.45 2.47 -1.96 -3.41 114.38 107.23 2ysx h ARG 45 Ca -0.05 -0.01 -0.51 0.00 -1.26 0.00 0.00 59.98 58.15 2ysx h ARG 45 Cb 0.43 -0.05 0.11 0.00 -1.65 0.00 0.00 29.97 28.81 2ysx h ARG 45 CO 0.08 0.15 0.35 0.00 0.56 0.00 0.00 179.97 181.11 2ysx s ALA 46 N -5.67 2.49 0.20 0.04 0.00 -1.07 -4.65 121.76 113.11 2ysx s ALA 46 Ca -0.10 0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.97 2ysx s ALA 46 Cb 0.31 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 2ysx s ALA 46 CO 0.79 -1.44 0.16 0.66 0.00 0.00 0.00 175.76 175.92 2ysx n TYR 47 N -3.28 -0.42 -3.72 0.00 4.01 -1.03 -3.13 117.16 109.59 2ysx n TYR 47 Ca 0.08 -1.64 -0.13 0.00 -0.16 0.00 0.00 57.90 56.04 2ysx n TYR 47 Cb 0.54 0.16 -0.14 0.00 -0.31 0.00 0.00 39.34 39.59 2ysx n TYR 47 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ysx s ALA 48 N -2.78 -0.44 -0.49 -0.72 0.00 -0.82 -1.24 121.76 115.26 2ysx s ALA 48 Ca 0.23 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 2ysx s ALA 48 Cb 0.01 -0.64 0.13 0.00 0.00 0.00 0.00 23.12 22.61 2ysx s ALA 48 CO 0.16 -0.27 0.27 -1.17 0.00 0.00 0.00 175.76 174.75 2ysx s LEU 49 N 1.46 5.03 0.22 0.00 2.96 -0.03 -1.47 118.68 126.84 2ysx s LEU 49 Ca -0.07 -2.47 -0.27 0.00 -0.22 0.00 0.00 54.13 51.09 2ysx s LEU 49 Cb -0.11 -1.78 -0.09 0.00 0.50 0.00 0.00 46.19 44.71 2ysx s LEU 49 CO -0.08 -0.41 0.87 0.00 -1.32 0.00 0.00 176.35 175.41 2ysx s VAL 51 N -1.22 -0.04 -0.12 0.00 1.01 -0.77 -0.92 120.40 118.34 2ysx s VAL 51 Ca 0.40 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 2ysx s VAL 51 Cb -0.24 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 2ysx s VAL 51 CO 0.29 0.06 0.24 -0.22 0.00 0.00 0.00 175.10 175.47 2ysx s LEU 52 N 0.72 4.34 -0.26 3.92 2.96 -0.17 -0.66 118.68 129.53 2ysx s LEU 52 Ca -0.06 0.55 -0.20 0.00 -0.22 0.00 0.00 54.13 54.21 2ysx s LEU 52 Cb -0.08 -2.28 0.07 0.00 0.50 0.00 0.00 46.19 44.40 2ysx s LEU 52 CO -0.02 0.26 0.66 -0.47 -1.32 0.00 0.00 176.35 175.46 2ysx s TYR 53 N -0.38 -0.85 -0.69 5.38 5.04 -0.23 -1.97 117.35 123.64 2ysx s TYR 53 Ca 0.16 1.89 -0.09 0.00 -2.44 0.00 0.00 57.07 56.60 2ysx s TYR 53 Cb -0.13 0.40 0.09 0.00 0.35 0.00 0.00 41.96 42.66 2ysx s TYR 53 CO 0.05 -0.42 0.22 0.54 -1.34 0.00 0.00 175.55 174.60 2ysx n ARG 54 N 3.42 -2.15 -2.57 4.97 5.12 -1.26 0.10 116.66 124.29 2ysx n ARG 54 Ca -0.17 0.05 -0.07 0.00 -1.93 0.00 0.00 57.85 55.74 2ysx n ARG 54 Cb 0.57 -4.56 0.03 0.00 -1.16 0.00 0.00 32.46 27.34 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 -1.84 -2.19 -3.75 0.55 4.13 -1.26 -5.06 115.26 105.84 2ysx n ASN 55 Ca 0.04 -0.23 -0.12 0.00 1.68 0.00 0.00 54.58 55.95 2ysx n ASN 55 Cb 0.48 -2.22 -0.12 0.00 -1.54 0.00 0.00 39.78 36.38 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 0.69 5.22 -0.41 0.00 1.01 -1.26 -1.07 120.40 124.60 2ysx s VAL 57 Ca -0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 2ysx s VAL 57 Cb -0.06 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.74 2ysx s VAL 57 CO -0.04 0.05 0.25 -0.31 0.00 0.00 0.00 175.10 175.04 2ysx s TYR 58 N 1.72 3.29 -0.43 5.22 1.51 0.17 -4.90 117.35 123.92 2ysx s TYR 58 Ca 0.06 -1.24 -0.22 0.00 -1.01 0.00 0.00 57.07 54.66 2ysx s TYR 58 Cb -0.17 -2.75 0.02 0.00 -0.11 0.00 0.00 41.96 38.95 2ysx s TYR 58 CO 0.10 -0.76 0.74 0.99 -1.11 0.00 0.00 175.55 175.51 2ysx s THR 59 N 1.50 4.71 -0.50 -0.71 2.01 -1.26 -1.85 115.64 119.54 2ysx s THR 59 Ca 0.02 0.40 -0.05 0.00 0.31 0.00 0.00 61.69 62.37 2ysx s THR 59 Cb -0.22 -4.27 0.13 0.00 0.01 0.00 0.00 72.50 68.16 2ysx s THR 59 CO 0.04 -0.64 0.33 -0.31 -0.69 0.00 0.00 174.62 173.35 2ysx s TYR 60 N 3.12 3.51 0.82 4.92 2.02 -0.66 -4.89 117.35 126.18 2ysx s TYR 60 Ca 0.28 -2.30 -0.10 0.00 -0.37 0.00 0.00 57.07 54.57 2ysx s TYR 60 Cb -0.13 -3.33 0.08 0.00 -0.40 0.00 0.00 41.96 38.18 2ysx s TYR 60 CO 0.21 -0.95 1.10 -0.98 -1.57 0.00 0.00 175.55 173.36 2ysx s ARG 61 N 0.89 1.88 -0.35 -0.62 3.03 -1.26 -0.85 118.95 121.66 2ysx s ARG 61 Ca 0.10 1.22 0.02 0.00 2.03 0.00 0.00 55.73 59.10 2ysx s ARG 61 Cb -0.23 -1.85 0.11 0.00 -1.03 0.00 0.00 34.95 31.95 2ysx s ARG 61 CO -0.03 -1.93 0.11 0.42 -1.13 0.00 0.00 175.30 172.74 2ysx s ILE 62 N -2.85 1.59 0.31 4.99 1.09 -0.38 -3.69 121.20 122.27 2ysx s ILE 62 Ca 0.63 -2.03 -0.28 0.00 -1.10 0.00 0.00 60.65 57.86 2ysx s ILE 62 Cb -0.18 -2.17 -0.09 0.00 -1.06 0.00 0.00 42.46 38.95 2ysx s ILE 62 CO 0.57 -0.68 1.12 -0.76 -0.10 0.00 0.00 174.94 175.08 2ysx s LEU 63 N 1.06 4.45 0.56 2.97 2.01 -1.23 -2.45 118.68 126.05 2ysx s LEU 63 Ca 0.12 2.29 -0.19 0.00 0.01 0.00 0.00 54.13 56.35 2ysx s LEU 63 Cb -0.19 -3.74 -0.05 0.00 0.01 0.00 0.00 46.19 42.21 2ysx s LEU 63 CO -0.14 -0.28 1.13 -2.16 1.01 0.00 0.00 176.35 175.91 2ysx s PRO 64 N -1.71 3.28 0.49 1.29 0.04 -1.26 -3.98 135.00 133.15 2ysx s PRO 64 Ca 0.48 1.59 0.04 0.00 0.04 0.00 0.00 61.00 63.15 2ysx s PRO 64 Cb -0.31 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 2ysx s PRO 64 CO 0.40 -0.90 0.14 -0.80 0.04 0.00 0.00 177.00 175.88 2ysx s ASN 65 N -1.87 4.28 0.32 6.66 0.02 -1.18 -4.89 114.94 118.29 2ysx s ASN 65 Ca 0.72 -1.40 0.10 0.00 -1.02 0.00 0.00 52.86 51.26 2ysx s ASN 65 Cb -0.24 0.18 0.95 0.00 0.02 0.00 0.00 41.25 42.16 2ysx s ASN 65 CO 0.29 -0.80 1.67 1.05 0.02 0.00 0.00 177.10 179.33 2ysx h GLU 66 N 1.27 0.35 -1.09 -0.60 4.11 -1.97 0.67 114.58 117.32 2ysx h GLU 66 Ca -0.42 -0.02 -0.56 0.00 0.07 0.00 0.00 59.36 58.43 2ysx h GLU 66 Cb 1.29 -0.08 -0.26 0.00 0.50 0.00 0.00 28.75 30.20 2ysx h GLU 66 CO 0.70 0.23 0.73 -0.25 0.07 0.00 0.00 179.01 180.49 2ysx n ASP 67 N -5.05 6.44 -4.22 3.06 8.00 -1.26 -4.87 116.55 118.65 2ysx n ASP 67 Ca 0.28 -3.57 -0.36 0.00 0.71 0.00 0.00 54.79 51.85 2ysx n ASP 67 Cb 0.86 -0.95 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 2ysx n ASP 67 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ysx n ASP 68 N -0.72 -1.89 -4.89 -2.24 9.92 0.23 -4.89 116.55 112.08 2ysx n ASP 68 Ca 0.55 -0.98 -0.29 0.00 -0.53 0.00 0.00 54.79 53.54 2ysx n ASP 68 Cb 0.88 -1.65 0.04 0.00 -0.64 0.00 0.00 41.12 39.76 2ysx n ASP 68 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2ysx s LYS 69 N -6.89 2.84 -0.73 -1.24 -0.14 -1.25 -4.73 119.74 107.59 2ysx s LYS 69 Ca 0.71 0.33 0.01 0.00 -1.36 0.00 0.00 55.97 55.66 2ysx s LYS 69 Cb -0.41 -2.08 0.18 0.00 -1.68 0.00 0.00 37.83 33.84 2ysx s LYS 69 CO 0.87 -0.97 0.55 -0.06 -0.76 0.00 0.00 175.35 174.97 2ysx s PHE 70 N -3.28 3.59 -0.10 3.18 0.08 -0.15 -3.08 117.98 118.21 2ysx s PHE 70 Ca 0.57 -3.06 -0.01 0.00 0.12 0.00 0.00 56.93 54.55 2ysx s PHE 70 Cb -0.11 -3.03 -0.03 0.00 -0.57 0.00 0.00 43.02 39.28 2ysx s PHE 70 CO 0.50 -0.71 -0.05 -0.08 -0.10 0.00 0.00 175.22 174.78 2ysx s THR 71 N -0.92 3.86 0.40 0.64 -1.32 -1.26 -4.12 115.64 112.92 2ysx s THR 71 Ca 0.23 -0.40 -0.24 0.00 -1.21 0.00 0.00 61.69 60.07 2ysx s THR 71 Cb -0.12 -2.62 -0.09 0.00 -1.51 0.00 0.00 72.50 68.15 2ysx s THR 71 CO -0.10 0.56 1.04 -0.69 -2.21 0.00 0.00 174.62 173.23 2ysx s VAL 72 N -0.40 3.75 -0.40 5.08 1.01 -1.26 -3.48 120.40 124.70 2ysx s VAL 72 Ca 0.06 1.33 -0.03 0.00 0.00 0.00 0.00 61.98 63.34 2ysx s VAL 72 Cb -0.12 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.68 2ysx s VAL 72 CO 0.02 -0.00 2.57 1.67 0.00 0.00 0.00 175.10 179.35 2ysx n GLN 73 N -0.10 2.22 0.18 2.72 7.27 -1.24 -4.43 117.38 123.99 2ysx n GLN 73 Ca 0.05 -2.09 0.06 0.00 0.07 0.00 0.00 57.00 55.10 2ysx n GLN 73 Cb 0.50 -1.98 0.16 0.00 2.41 0.00 0.00 30.24 31.32 2ysx n GLN 73 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ysx h ALA 74 N 2.53 0.82 -6.54 1.69 0.00 -1.92 -3.48 119.26 112.37 2ysx h ALA 74 Ca 0.36 -0.30 -0.51 0.00 0.00 0.00 0.00 54.91 54.46 2ysx h ALA 74 Cb 0.80 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2ysx h ALA 74 CO 0.83 0.42 -0.91 0.43 0.00 0.00 0.00 179.25 180.02 2ysx n SER 75 N -3.23 -1.21 0.08 0.00 7.64 -1.26 -4.87 113.62 110.76 2ysx n SER 75 Ca 0.02 -1.05 -0.12 0.00 1.01 0.00 0.00 58.87 58.72 2ysx n SER 75 Cb 0.62 -2.88 -0.07 0.00 -1.01 0.00 0.00 64.21 60.88 2ysx n SER 75 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2ysx h GLU 76 N -1.89 -0.15 0.00 1.43 4.22 -1.94 -3.48 114.58 112.77 2ysx h GLU 76 Ca -0.64 0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.81 2ysx h GLU 76 Cb 1.38 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2ysx h GLU 76 CO 0.60 -0.10 0.00 0.41 -2.18 0.00 0.00 179.01 177.74 2ysx n GLY 77 N -1.18 2.16 3.17 1.92 0.00 -1.26 -5.13 105.19 104.87 2ysx n GLY 77 Ca -0.07 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.41 1.61 0.24 -1.26 -4.70 118.33 112.80 2ysx n VAL 78 Ca 0.00 -0.26 -0.53 0.00 -2.04 0.00 0.00 64.34 61.52 2ysx n VAL 78 Cb 0.00 -0.31 -0.06 0.00 -1.47 0.00 0.00 33.84 32.01 2ysx n VAL 78 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2ysx n SER 79 N 1.00 -0.52 -4.31 -1.34 3.41 -1.26 -4.85 113.62 105.74 2ysx n SER 79 Ca 0.01 1.11 -0.33 0.00 -0.26 0.00 0.00 58.87 59.40 2ysx n SER 79 Cb 0.61 -0.90 0.16 0.00 -0.26 0.00 0.00 64.21 63.82 2ysx n SER 79 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2ysx n MET 80 N 1.25 -1.20 -4.19 4.33 1.56 -1.26 -5.04 117.12 112.57 2ysx n MET 80 Ca 0.19 -0.33 -0.12 0.00 -0.27 0.00 0.00 57.70 57.17 2ysx n MET 80 Cb 0.15 -1.73 -0.10 0.00 2.15 0.00 0.00 33.22 33.69 2ysx n MET 80 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2ysx s ARG 81 N -3.47 1.17 -0.11 2.12 0.52 -1.26 -5.18 118.95 112.74 2ysx s ARG 81 Ca 0.56 -1.61 -0.29 0.00 -0.52 0.00 0.00 55.73 53.87 2ysx s ARG 81 Cb -0.14 0.27 0.07 0.00 0.52 0.00 0.00 34.95 35.67 2ysx s ARG 81 CO 0.67 -0.38 0.70 -0.06 0.02 0.00 0.00 175.30 176.25 2ysx s PHE 82 N -4.15 -0.68 -0.04 -0.53 0.08 -1.26 -4.76 117.98 106.65 2ysx s PHE 82 Ca 0.37 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.73 2ysx s PHE 82 Cb 0.07 0.38 0.03 0.00 -0.57 0.00 0.00 43.02 42.92 2ysx s PHE 82 CO 0.11 -0.54 -0.00 -0.06 -0.10 0.00 0.00 175.22 174.62 2ysx s PHE 83 N -0.80 0.42 0.15 0.36 0.40 -1.26 -4.96 117.98 112.29 2ysx s PHE 83 Ca -0.08 -0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.18 2ysx s PHE 83 Cb -0.01 -0.51 -0.04 0.00 0.51 0.00 0.00 43.02 42.97 2ysx s PHE 83 CO 0.07 -0.17 1.35 0.00 0.70 0.00 0.00 175.22 177.18 2ysx h THR 84 N 6.25 1.40 -3.25 0.64 1.03 -1.91 -0.38 112.91 116.68 2ysx h THR 84 Ca -0.36 -2.35 -0.63 0.00 -0.01 0.00 0.00 66.41 63.06 2ysx h THR 84 Cb 1.13 2.31 -0.16 0.00 -1.07 0.00 0.00 68.15 70.37 2ysx h THR 84 CO 0.42 0.70 -0.58 -0.54 -0.01 0.00 0.00 175.52 175.52 2ysx s LYS 85 N -3.39 3.82 0.64 0.00 -0.14 -1.26 -4.82 119.74 114.59 2ysx s LYS 85 Ca -0.06 -0.36 0.36 0.00 -1.36 0.00 0.00 55.97 54.56 2ysx s LYS 85 Cb 0.09 -3.14 2.02 0.00 -1.68 0.00 0.00 37.83 35.13 2ysx s LYS 85 CO 0.85 0.34 2.22 1.25 -0.76 0.00 0.00 175.35 179.26 2ysx h LEU 86 N 6.44 0.00 0.03 3.17 7.12 -1.95 -2.47 115.31 127.65 2ysx h LEU 86 Ca -0.39 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.62 2ysx h LEU 86 Cb 1.18 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 2ysx h LEU 86 CO 0.67 0.00 -0.01 -2.24 -0.13 0.00 0.00 178.44 176.73 2ysx h ASP 87 N 0.00 -0.04 -0.03 1.25 2.03 -1.97 -3.17 116.42 114.49 2ysx h ASP 87 Ca 0.02 -0.54 0.01 0.00 -0.73 0.00 0.00 57.03 55.78 2ysx h ASP 87 Cb 0.21 0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 38.72 2ysx h ASP 87 CO -0.00 0.71 0.63 1.56 -1.03 0.00 0.00 179.24 181.11 2ysx h GLN 88 N -0.97 0.00 0.07 4.15 4.20 -1.86 1.06 115.11 121.76 2ysx h GLN 88 Ca -0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 2ysx h GLN 88 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2ysx h GLN 88 CO 0.01 0.00 -1.56 1.25 -0.67 0.00 0.00 178.83 177.86 2ysx h LEU 89 N 0.00 0.22 0.14 1.46 6.46 -1.58 -3.15 115.31 118.86 2ysx h LEU 89 Ca 0.01 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 2ysx h LEU 89 Cb 1.27 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 2ysx h LEU 89 CO -0.00 1.30 -0.07 0.40 -0.62 0.00 0.00 178.44 179.45 2ysx h ILE 90 N 0.04 1.01 0.00 4.05 1.08 0.12 -2.21 117.51 121.59 2ysx h ILE 90 Ca -0.24 -0.83 -0.00 0.00 -0.39 0.00 0.00 64.86 63.40 2ysx h ILE 90 Cb 1.98 1.51 -0.00 0.00 -3.07 0.00 0.00 36.82 37.24 2ysx h ILE 90 CO 0.12 0.19 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.43 2ysx h GLU 91 N -0.60 0.00 0.00 2.37 5.08 -1.59 -1.73 114.58 118.11 2ysx h GLU 91 Ca -0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2ysx h GLU 91 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2ysx h GLU 91 CO 0.03 0.01 -0.77 0.35 -1.00 0.00 0.00 179.01 177.64 2ysx h PHE 92 N 0.00 0.00 -0.99 4.33 3.57 -1.48 -3.28 116.94 119.09 2ysx h PHE 92 Ca -0.00 0.00 -0.65 0.00 3.53 0.00 0.00 57.97 60.85 2ysx h PHE 92 Cb 0.25 0.00 -0.29 0.00 2.79 0.00 0.00 35.95 38.70 2ysx h PHE 92 CO 0.00 0.70 0.84 0.66 -2.23 0.00 0.00 178.31 178.28 2ysx n TYR 93 N -3.25 3.20 -0.56 0.41 4.02 -0.65 -4.40 117.16 115.93 2ysx n TYR 93 Ca 0.00 -2.86 0.10 0.00 -0.01 0.00 0.00 57.90 55.14 2ysx n TYR 93 Cb 0.82 -1.38 0.36 0.00 -0.02 0.00 0.00 39.34 39.12 2ysx n TYR 93 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ysx n LYS 94 N -0.94 3.48 -3.75 -0.72 5.02 -1.23 -3.66 118.16 116.37 2ysx n LYS 94 Ca 0.62 -2.85 -0.37 0.00 -2.02 0.00 0.00 58.31 53.70 2ysx n LYS 94 Cb 0.80 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 2ysx n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2ysx s LYS 95 N -1.61 3.60 -0.22 1.97 2.47 -1.26 -4.48 119.74 120.21 2ysx s LYS 95 Ca 0.52 0.03 -0.14 0.00 -1.56 0.00 0.00 55.97 54.82 2ysx s LYS 95 Cb 0.31 -3.17 -0.18 0.00 -1.46 0.00 0.00 37.83 33.34 2ysx s LYS 95 CO 0.28 0.72 0.01 -0.85 0.16 0.00 0.00 175.35 175.67 2ysx n GLU 96 N 1.71 0.62 -0.01 4.03 0.28 -1.26 -3.97 120.64 122.03 2ysx n GLU 96 Ca -0.16 0.37 -0.08 0.00 -0.16 0.00 0.00 57.16 57.13 2ysx n GLU 96 Cb 0.54 -1.64 -0.06 0.00 1.43 0.00 0.00 31.44 31.72 2ysx n GLU 96 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2ysx h ASN 97 N -0.69 -0.96 -4.15 -1.84 2.35 -1.95 -3.33 115.58 105.02 2ysx h ASN 97 Ca -0.50 0.11 -0.67 0.00 -0.55 0.00 0.00 56.30 54.69 2ysx h ASN 97 Cb 1.60 0.38 -0.38 0.00 0.05 0.00 0.00 38.32 39.97 2ysx h ASN 97 CO -0.21 -0.27 -0.46 -0.04 -1.65 0.00 0.00 177.43 174.80 2ysx s MET 98 N -4.49 2.38 0.00 0.81 -1.94 -1.26 -5.02 119.30 109.78 2ysx s MET 98 Ca -0.08 -2.68 0.00 0.00 -1.71 0.00 0.00 55.69 51.22 2ysx s MET 98 Cb 0.04 -3.57 0.00 0.00 2.01 0.00 0.00 34.83 33.31 2ysx s MET 98 CO 0.34 -1.16 0.00 0.41 -0.01 0.00 0.00 175.02 174.59 2ysx n GLY 99 N 3.15 1.96 2.39 -0.03 0.00 -1.25 -4.79 105.19 106.63 2ysx n GLY 99 Ca 0.08 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 2ysx n GLY 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ysx n LEU 100 N 0.00 0.00 0.18 0.99 4.77 -1.26 -4.78 117.00 116.90 2ysx n LEU 100 Ca 0.00 -0.74 0.16 0.00 -0.03 0.00 0.00 56.01 55.40 2ysx n LEU 100 Cb 0.00 -0.71 0.58 0.00 -2.33 0.00 0.00 43.42 40.95 2ysx n LEU 100 CO 0.00 -2.13 1.14 1.62 -1.33 0.00 0.00 177.39 176.69 2ysx h VAL 101 N -2.76 0.10 -1.66 4.08 3.04 -1.96 -3.41 116.25 113.69 2ysx h VAL 101 Ca -0.29 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.45 2ysx h VAL 101 Cb 0.92 0.42 -0.24 0.00 -2.01 0.00 0.00 31.29 30.38 2ysx h VAL 101 CO 0.18 0.00 0.43 0.28 -1.01 0.00 0.00 177.57 177.45 2ysx s THR 102 N -4.27 0.00 0.21 3.17 -1.32 -1.26 -5.04 115.64 107.13 2ysx s THR 102 Ca -0.03 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.15 2ysx s THR 102 Cb 0.10 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 70.00 2ysx s THR 102 CO 0.33 0.00 1.21 -1.38 -2.21 0.00 0.00 174.62 172.56 2ysx s HIS 103 N -0.23 3.40 0.15 9.09 0.00 -1.25 -4.94 115.29 121.51 2ysx s HIS 103 Ca 0.00 1.44 -0.34 0.00 -3.00 0.00 0.00 55.06 53.16 2ysx s HIS 103 Cb -0.03 -3.45 -0.15 0.00 -4.00 0.00 0.00 32.58 24.94 2ysx s HIS 103 CO -0.02 -1.25 1.41 1.28 -1.00 0.00 0.00 174.74 175.16 2ysx n LEU 104 N 2.18 2.36 0.03 5.38 4.77 -1.24 -4.83 117.00 125.64 2ysx n LEU 104 Ca 0.03 1.11 -0.01 0.00 -0.03 0.00 0.00 56.01 57.12 2ysx n LEU 104 Cb 0.44 -1.31 -0.00 0.00 -2.33 0.00 0.00 43.42 40.21 2ysx n LEU 104 CO 0.56 -0.73 -0.08 0.00 -1.33 0.00 0.00 177.39 175.81 2ysx n GLN 105 N 2.63 0.06 -3.94 3.23 6.02 -1.19 -4.90 117.38 119.29 2ysx n GLN 105 Ca 0.16 0.02 -0.28 0.00 -0.01 0.00 0.00 57.00 56.90 2ysx n GLN 105 Cb 0.25 -0.53 -0.17 0.00 1.02 0.00 0.00 30.24 30.81 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 -1.93 1.73 -0.81 1.08 2.02 -1.26 -5.05 117.35 113.13 2ysx s TYR 106 Ca -0.03 -0.95 -0.25 0.00 -0.37 0.00 0.00 57.07 55.47 2ysx s TYR 106 Cb 0.00 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2ysx s TYR 106 CO 0.05 -0.58 1.92 -1.25 -1.57 0.00 0.00 175.55 174.12 2ysx s PRO 107 N 1.63 2.58 -0.39 -1.71 0.04 -1.26 -3.58 135.00 132.31 2ysx s PRO 107 Ca 0.04 0.01 -0.36 0.00 0.04 0.00 0.00 61.00 60.73 2ysx s PRO 107 Cb -0.13 -4.84 -0.15 0.00 0.04 0.00 0.00 34.50 29.41 2ysx s PRO 107 CO -0.09 -3.17 1.48 0.28 0.04 0.00 0.00 177.00 175.55 2ysx n VAL 108 N 7.66 0.00 -1.18 -0.36 0.31 -0.96 -4.52 118.33 119.28 2ysx n VAL 108 Ca 0.34 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.38 2ysx n VAL 108 Cb 0.49 -0.39 0.17 0.00 -0.91 0.00 0.00 33.84 33.19 2ysx n VAL 108 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2ysx s PRO 109 N 3.59 0.64 1.04 5.55 0.04 -1.26 -4.20 135.00 140.39 2ysx s PRO 109 Ca 0.89 0.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 2ysx s PRO 109 Cb -1.18 -1.75 0.25 0.00 0.04 0.00 0.00 34.50 31.85 2ysx s PRO 109 CO 0.58 -2.61 1.22 1.28 0.04 0.00 0.00 177.00 177.51 2ysx n LEU 110 N -4.10 0.00 -3.76 -3.56 4.77 -1.26 -5.02 117.00 104.07 2ysx n LEU 110 Ca 0.06 -1.33 -0.28 0.00 -0.03 0.00 0.00 56.01 54.43 2ysx n LEU 110 Cb 0.57 -0.99 -0.11 0.00 -2.33 0.00 0.00 43.42 40.56 2ysx n LEU 110 CO 0.57 -1.67 -0.01 -0.62 -1.33 0.00 0.00 177.39 174.33 2ysx n GLU 111 N -4.10 1.99 -2.98 3.23 -0.58 -1.26 -5.09 120.64 111.85 2ysx n GLU 111 Ca 0.16 -4.51 -0.33 0.00 -0.42 0.00 0.00 57.16 52.06 2ysx n GLU 111 Cb 0.57 -2.26 -0.06 0.00 -0.57 0.00 0.00 31.44 29.12 2ysx n GLU 111 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2ysx s GLU 112 N -1.72 4.08 -0.05 3.49 2.12 -1.26 -5.08 118.70 120.29 2ysx s GLU 112 Ca 0.29 0.85 0.06 0.00 0.36 0.00 0.00 54.97 56.53 2ysx s GLU 112 Cb 0.01 -2.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.07 2ysx s GLU 112 CO -0.13 0.06 -0.23 -1.83 -0.54 0.00 0.00 175.26 172.59 2ysx s GLU 113 N -3.13 2.42 0.40 4.30 4.04 -1.26 -5.14 118.70 120.34 2ysx s GLU 113 Ca 0.57 -0.87 0.08 0.00 0.04 0.00 0.00 54.97 54.79 2ysx s GLU 113 Cb -0.10 -2.17 -0.05 0.00 0.02 0.00 0.00 34.13 31.83 2ysx s GLU 113 CO 0.17 0.48 0.17 0.16 -1.84 0.00 0.00 175.26 174.39 2ysx s ASP 114 N -0.39 4.46 -0.61 0.83 -4.77 -1.26 -5.04 116.67 109.88 2ysx s ASP 114 Ca 0.03 -1.02 -0.01 0.00 -3.30 0.00 0.00 52.55 48.26 2ysx s ASP 114 Cb -0.12 -0.52 0.50 0.00 -1.09 0.00 0.00 42.92 41.69 2ysx s ASP 114 CO 0.02 -0.49 2.00 1.07 0.70 0.00 0.00 175.17 178.46 2ysx n THR 115 N -1.22 3.52 0.00 2.11 5.66 -1.26 -5.01 114.28 118.09 2ysx n THR 115 Ca -0.01 -2.74 0.00 0.00 -3.05 0.00 0.00 64.05 58.25 2ysx n THR 115 Cb 0.64 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 2ysx n THR 115 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ysx n GLY 116 N -0.97 1.30 3.64 1.09 0.00 -1.26 -4.47 105.19 104.52 2ysx n GLY 116 Ca 0.62 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 47.00 2ysx n GLY 116 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ysx s ASP 117 N -2.97 -0.76 0.28 1.61 2.15 -1.26 -5.15 116.67 110.57 2ysx s ASP 117 Ca 0.00 1.34 -0.29 0.00 0.43 0.00 0.00 52.55 54.03 2ysx s ASP 117 Cb 0.00 1.34 -0.10 0.00 -0.30 0.00 0.00 42.92 43.87 2ysx s ASP 117 CO 0.00 -0.22 1.22 1.51 -0.17 0.00 0.00 175.17 177.51 2ysx s ASP 118 N 0.88 7.01 0.00 -0.34 -4.77 -1.26 -5.32 116.67 112.87 2ysx s ASP 118 Ca -0.04 2.45 0.16 0.00 -3.30 0.00 0.00 52.55 51.81 2ysx s ASP 118 Cb -0.05 -2.63 0.93 0.00 -1.09 0.00 0.00 42.92 40.08 2ysx s ASP 118 CO -0.09 -0.37 1.34 -0.81 0.70 0.00 0.00 175.17 175.94