#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 -4.00 -3.94 1.61 7.64 -1.26 -2.22 113.62 111.44 2ysx n SER 2 Ca 0.00 -0.64 -0.31 0.00 1.01 0.00 0.00 58.87 58.93 2ysx n SER 2 Cb 0.00 -4.75 -0.07 0.00 -1.01 0.00 0.00 64.21 58.38 2ysx n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ysx n SER 3 N -3.03 -0.65 -4.50 6.43 7.64 -1.26 -4.88 113.62 113.37 2ysx n SER 3 Ca -0.13 -1.01 -0.33 0.00 1.01 0.00 0.00 58.87 58.41 2ysx n SER 3 Cb 0.61 -1.27 -0.12 0.00 -1.01 0.00 0.00 64.21 62.41 2ysx n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ysx s GLY 4 N -3.27 1.64 -0.48 0.23 0.00 -0.94 -5.01 107.32 99.48 2ysx s GLY 4 Ca 0.43 -0.89 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 2ysx s GLY 4 CO 0.81 -0.47 2.11 -1.26 0.00 0.00 0.00 173.10 174.30 2ysx n SER 5 N 2.77 6.96 -4.79 1.64 2.88 -1.26 -4.91 113.62 116.91 2ysx n SER 5 Ca -0.18 -3.37 -0.38 0.00 -1.33 0.00 0.00 58.87 53.62 2ysx n SER 5 Cb 0.53 -1.05 -0.06 0.00 -0.75 0.00 0.00 64.21 62.87 2ysx n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ysx s SER 6 N -0.55 6.70 0.00 -3.46 0.15 -1.26 -4.95 113.70 110.33 2ysx s SER 6 Ca 0.47 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2ysx s SER 6 Cb 0.36 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 2ysx s SER 6 CO -0.05 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.20 2ysx n GLY 7 N 2.49 2.81 3.47 9.45 0.00 -1.26 -4.94 105.19 117.20 2ysx n GLY 7 Ca -0.12 -1.70 -0.45 0.00 0.00 0.00 0.00 46.02 43.75 2ysx n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ysx n MET 8 N 0.58 0.60 -3.18 1.61 2.00 -1.26 -4.90 117.12 112.57 2ysx n MET 8 Ca 0.00 0.09 -0.38 0.00 0.00 0.00 0.00 57.70 57.41 2ysx n MET 8 Cb 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 33.22 30.88 2ysx n MET 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2ysx s VAL 9 N 8.96 4.63 0.50 2.03 -7.23 -1.26 -5.05 120.40 122.98 2ysx s VAL 9 Ca 1.17 1.31 -0.21 0.00 -1.81 0.00 0.00 61.98 62.43 2ysx s VAL 9 Cb -0.89 -3.93 -0.07 0.00 0.56 0.00 0.00 36.38 32.05 2ysx s VAL 9 CO 0.45 0.46 1.15 -2.16 -0.31 0.00 0.00 175.10 174.69 2ysx s PRO 10 N -1.35 3.57 -0.13 4.82 0.04 -1.26 -4.99 135.00 135.69 2ysx s PRO 10 Ca 0.34 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 2ysx s PRO 10 Cb -0.19 -2.21 -0.25 0.00 0.04 0.00 0.00 34.50 31.88 2ysx s PRO 10 CO 0.21 -0.69 0.44 0.00 0.04 0.00 0.00 177.00 177.00 2ysx h TRP 12 N -0.42 0.00 -2.16 0.00 5.08 -1.79 -3.35 115.95 113.31 2ysx h TRP 12 Ca -0.33 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.07 2ysx h TRP 12 Cb 1.68 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 27.74 2ysx h TRP 12 CO 0.11 0.00 1.07 1.21 -1.28 0.00 0.00 178.44 179.55 2ysx s ASN 13 N -5.08 6.24 -0.13 0.11 3.84 -1.25 -0.49 114.94 118.18 2ysx s ASN 13 Ca -0.04 -0.77 0.00 0.00 0.21 0.00 0.00 52.86 52.27 2ysx s ASN 13 Cb 0.15 -2.54 0.14 0.00 -0.55 0.00 0.00 41.25 38.45 2ysx s ASN 13 CO 0.51 -1.70 1.60 1.41 -2.79 0.00 0.00 177.10 176.14 2ysx n HIS 14 N 8.98 0.77 0.00 0.43 8.25 -0.30 -4.95 115.22 128.39 2ysx n HIS 14 Ca 0.09 -1.15 0.00 0.00 -0.26 0.00 0.00 57.72 56.40 2ysx n HIS 14 Cb 0.49 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 0.49 2.14 3.30 -1.41 0.00 -1.26 -3.99 105.19 104.48 2ysx n GLY 15 Ca 0.15 0.36 -0.35 0.00 0.00 0.00 0.00 46.02 46.18 2ysx n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ysx s ASN 16 N -4.00 4.39 0.13 1.61 3.84 -1.26 -0.46 114.94 119.18 2ysx s ASN 16 Ca 0.00 -0.46 -0.05 0.00 0.21 0.00 0.00 52.86 52.56 2ysx s ASN 16 Cb 0.00 -1.75 -0.03 0.00 -0.55 0.00 0.00 41.25 38.93 2ysx s ASN 16 CO 0.00 -0.05 0.14 0.27 -2.79 0.00 0.00 177.10 174.68 2ysx s ILE 17 N 1.47 0.11 0.82 -5.21 -4.36 -1.26 -5.03 121.20 107.74 2ysx s ILE 17 Ca 0.05 -1.64 -0.12 0.00 -0.26 0.00 0.00 60.65 58.68 2ysx s ILE 17 Cb -0.15 -1.85 0.08 0.00 1.25 0.00 0.00 42.46 41.80 2ysx s ILE 17 CO -0.03 -0.48 1.13 0.28 0.24 0.00 0.00 174.94 176.08 2ysx s THR 18 N -3.99 2.61 0.02 8.37 -1.32 -1.26 -4.90 115.64 115.17 2ysx s THR 18 Ca 0.18 0.20 -0.14 0.00 -1.21 0.00 0.00 61.69 60.72 2ysx s THR 18 Cb 0.06 -3.04 -0.08 0.00 -1.51 0.00 0.00 72.50 67.93 2ysx s THR 18 CO -0.01 -0.26 1.18 -0.09 -2.21 0.00 0.00 174.62 173.22 2ysx h ARG 19 N -1.13 -0.48 -0.96 7.08 2.43 -2.02 -2.39 114.38 116.92 2ysx h ARG 19 Ca -0.47 0.03 0.39 0.00 -0.81 0.00 0.00 59.98 59.12 2ysx h ARG 19 Cb 1.30 0.11 -0.17 0.00 -0.42 0.00 0.00 29.97 30.78 2ysx h ARG 19 CO 0.62 -0.32 0.46 0.43 -1.51 0.00 0.00 179.97 179.66 2ysx n SER 20 N -3.37 0.29 0.37 -3.80 7.64 -1.26 0.10 113.62 113.59 2ysx n SER 20 Ca -0.06 1.60 -0.18 0.00 1.01 0.00 0.00 58.87 61.24 2ysx n SER 20 Cb 0.20 -0.76 -0.09 0.00 -1.01 0.00 0.00 64.21 62.55 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 -0.88 -0.92 1.43 1.63 -1.90 0.31 116.57 116.23 2ysx h LYS 21 Ca 0.79 0.06 0.20 0.00 -0.85 0.00 0.00 60.65 60.85 2ysx h LYS 21 Cb 2.06 0.20 -0.11 0.00 -0.60 0.00 0.00 32.23 33.77 2ysx h LYS 21 CO -0.76 -0.57 0.48 0.00 -3.45 0.00 0.00 179.45 175.15 2ysx h ALA 22 N -0.67 1.51 0.24 5.00 0.00 0.18 0.40 119.26 125.92 2ysx h ALA 22 Ca -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ysx h ALA 22 Cb 0.72 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2ysx h ALA 22 CO 0.15 -0.23 -0.12 0.93 0.00 0.00 0.00 179.25 179.99 2ysx h GLU 23 N 0.54 -0.31 -1.52 0.00 5.08 -1.12 -3.17 114.58 114.08 2ysx h GLU 23 Ca 0.56 0.02 0.45 0.00 -1.00 0.00 0.00 59.36 59.39 2ysx h GLU 23 Cb 0.98 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.22 2ysx h GLU 23 CO -0.46 -0.21 1.06 1.05 -1.00 0.00 0.00 179.01 179.45 2ysx h GLU 24 N -0.68 0.05 -0.64 2.33 4.11 -0.14 1.03 114.58 120.63 2ysx h GLU 24 Ca -0.03 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 2ysx h GLU 24 Cb 0.25 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2ysx h GLU 24 CO 0.05 0.03 0.16 -0.07 0.07 0.00 0.00 179.01 179.25 2ysx h LEU 25 N 0.05 0.97 0.08 3.06 3.38 -0.94 -0.46 115.31 121.44 2ysx h LEU 25 Ca 0.78 -0.23 -0.25 0.00 0.09 0.00 0.00 57.88 58.27 2ysx h LEU 25 Cb 2.89 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 43.41 2ysx h LEU 25 CO -0.15 0.95 -1.03 -0.07 0.09 0.00 0.00 178.44 178.23 2ysx h LEU 26 N 0.94 0.77 0.86 1.67 3.38 0.10 -3.19 115.31 119.84 2ysx h LEU 26 Ca 0.20 -0.81 -0.04 0.00 0.09 0.00 0.00 57.88 57.32 2ysx h LEU 26 Cb 0.36 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2ysx h LEU 26 CO 0.00 1.50 -0.41 0.77 0.09 0.00 0.00 178.44 180.39 2ysx h SER 27 N 0.14 -0.98 -0.86 -0.43 4.64 -1.01 -2.74 113.55 112.31 2ysx h SER 27 Ca -0.15 0.03 0.23 0.00 -0.47 0.00 0.00 61.79 61.43 2ysx h SER 27 Cb 1.72 0.25 -0.14 0.00 -0.31 0.00 0.00 62.40 63.93 2ysx h SER 27 CO 0.20 -0.68 0.22 0.08 -0.87 0.00 0.00 176.83 175.78 2ysx h ARG 28 N -1.18 0.21 -0.24 4.77 0.11 -1.22 0.58 114.38 117.40 2ysx h ARG 28 Ca -0.12 -0.01 0.05 0.00 0.10 0.00 0.00 59.98 60.00 2ysx h ARG 28 Cb 0.89 -0.05 -0.05 0.00 1.11 0.00 0.00 29.97 31.87 2ysx h ARG 28 CO 0.19 0.14 -0.09 1.15 0.10 0.00 0.00 179.97 181.45 2ysx h THR 29 N 0.21 0.68 -5.51 0.08 2.02 -1.50 -3.47 112.91 105.43 2ysx h THR 29 Ca 0.54 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 67.40 2ysx h THR 29 Cb 1.06 0.68 0.16 0.00 -1.74 0.00 0.00 68.15 68.32 2ysx h THR 29 CO -0.64 0.00 -0.74 0.61 0.37 0.00 0.00 175.52 175.12 2ysx n GLY 30 N -1.26 -0.33 2.96 2.16 0.00 0.19 -5.02 105.19 103.89 2ysx n GLY 30 Ca -0.01 0.08 -0.19 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 -5.33 0.73 -1.27 1.61 1.02 -1.26 -5.07 119.74 110.17 2ysx s LYS 31 Ca 0.01 -0.21 -0.18 0.00 0.02 0.00 0.00 55.97 55.61 2ysx s LYS 31 Cb -0.01 -0.71 0.08 0.00 -0.52 0.00 0.00 37.83 36.67 2ysx s LYS 31 CO 0.70 0.07 1.70 0.34 -0.92 0.00 0.00 175.35 177.23 2ysx s ASP 32 N 0.27 6.83 0.00 2.83 -1.08 -1.26 -3.61 116.67 120.65 2ysx s ASP 32 Ca -0.03 -2.41 0.00 0.00 -0.52 0.00 0.00 52.55 49.58 2ysx s ASP 32 Cb -0.08 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 2ysx s ASP 32 CO 0.00 -1.16 0.00 0.61 0.52 0.00 0.00 175.17 175.14 2ysx n GLY 33 N 5.42 0.00 3.94 2.66 0.00 -1.05 -4.98 105.19 111.17 2ysx n GLY 33 Ca 0.47 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 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 5.95 -0.09 1.61 0.01 -1.13 -0.52 113.70 119.52 2ysx s SER 34 Ca 0.00 -0.14 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 2ysx s SER 34 Cb 0.00 -1.47 0.11 0.00 0.21 0.00 0.00 66.02 64.88 2ysx s SER 34 CO 0.00 -0.22 0.94 0.72 0.41 0.00 0.00 173.24 175.09 2ysx s PHE 35 N -2.11 -0.36 0.27 2.43 -0.71 -1.23 -1.52 117.98 114.75 2ysx s PHE 35 Ca 0.38 0.46 -0.16 0.00 -1.04 0.00 0.00 56.93 56.57 2ysx s PHE 35 Cb -0.09 0.49 0.01 0.00 -1.21 0.00 0.00 43.02 42.22 2ysx s PHE 35 CO 0.29 -0.43 0.59 -0.48 -1.34 0.00 0.00 175.22 173.84 2ysx s LEU 36 N -1.73 0.10 0.08 -1.99 0.05 0.03 -2.94 118.68 112.27 2ysx s LEU 36 Ca 0.01 -0.83 0.04 0.00 0.05 0.00 0.00 54.13 53.40 2ysx s LEU 36 Cb -0.01 2.18 -0.03 0.00 -2.05 0.00 0.00 46.19 46.28 2ysx s LEU 36 CO -0.03 -1.25 -0.12 -0.69 -0.55 0.00 0.00 176.35 173.71 2ysx s VAL 37 N -3.87 0.98 -0.20 1.48 1.01 0.36 -1.19 120.40 118.97 2ysx s VAL 37 Ca 0.18 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 2ysx s VAL 37 Cb -0.03 -1.14 0.06 0.00 0.00 0.00 0.00 36.38 35.28 2ysx s VAL 37 CO 0.09 -0.38 0.48 0.00 0.00 0.00 0.00 175.10 175.29 2ysx s ARG 38 N -2.17 0.48 0.30 2.72 1.70 -0.64 -1.15 118.95 120.19 2ysx s ARG 38 Ca 0.00 0.91 -0.30 0.00 -0.47 0.00 0.00 55.73 55.87 2ysx s ARG 38 Cb -0.07 0.02 -0.12 0.00 -0.57 0.00 0.00 34.95 34.21 2ysx s ARG 38 CO 0.01 -0.16 1.54 0.00 -1.08 0.00 0.00 175.30 175.61 2ysx n ALA 39 N 4.28 2.25 -2.59 7.88 0.00 0.39 -1.29 120.51 131.43 2ysx n ALA 39 Ca -0.22 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 2ysx n ALA 39 Cb 0.56 -2.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.49 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 0.33 5.97 -0.07 0.00 0.15 -0.61 -4.77 113.70 114.69 2ysx s SER 40 Ca 0.63 -0.71 -0.16 0.00 0.70 0.00 0.00 55.95 56.41 2ysx s SER 40 Cb -0.52 -2.11 -0.12 0.00 -1.71 0.00 0.00 66.02 61.56 2ysx s SER 40 CO 0.52 -0.34 0.60 -0.08 1.20 0.00 0.00 173.24 175.15 2ysx h GLU 41 N 8.52 -0.19 -0.78 5.44 4.22 -1.93 -3.32 114.58 126.53 2ysx h GLU 41 Ca -0.29 0.01 0.18 0.00 0.08 0.00 0.00 59.36 59.34 2ysx h GLU 41 Cb 1.13 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 2ysx h GLU 41 CO 0.67 0.16 -0.12 0.43 -2.18 0.00 0.00 179.01 177.98 2ysx n SER 42 N -4.89 -0.21 -4.83 1.04 7.64 -1.26 -4.22 113.62 106.89 2ysx n SER 42 Ca -0.06 1.34 -0.33 0.00 1.01 0.00 0.00 58.87 60.84 2ysx n SER 42 Cb 0.22 -0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 62.92 2ysx n SER 42 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ysx s ILE 43 N -5.89 4.99 0.43 0.44 -1.09 -1.25 -5.09 121.20 113.74 2ysx s ILE 43 Ca -0.11 -0.37 -0.23 0.00 -2.23 0.00 0.00 60.65 57.71 2ysx s ILE 43 Cb 0.22 -3.33 -0.09 0.00 -1.58 0.00 0.00 42.46 37.69 2ysx s ILE 43 CO 0.61 0.29 1.06 -0.55 -1.23 0.00 0.00 174.94 175.13 2ysx s SER 44 N -1.95 6.56 -1.31 3.58 0.15 -1.26 -3.56 113.70 115.90 2ysx s SER 44 Ca 0.26 2.04 -0.13 0.00 0.70 0.00 0.00 55.95 58.82 2ysx s SER 44 Cb -0.12 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 61.74 2ysx s SER 44 CO 0.18 -0.63 0.33 0.54 1.20 0.00 0.00 173.24 174.85 2ysx n ARG 45 N -0.40 -0.83 -4.20 5.44 5.12 -1.26 -4.46 116.66 116.07 2ysx n ARG 45 Ca 0.07 0.09 -0.23 0.00 -1.93 0.00 0.00 57.85 55.85 2ysx n ARG 45 Cb 0.50 -3.22 -0.07 0.00 -1.16 0.00 0.00 32.46 28.52 2ysx n ARG 45 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ysx s ALA 46 N -2.98 3.33 0.25 7.54 0.00 -1.23 -2.85 121.76 125.82 2ysx s ALA 46 Ca 0.46 -1.71 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 2ysx s ALA 46 Cb -0.27 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 2ysx s ALA 46 CO 0.74 0.17 0.34 0.71 0.00 0.00 0.00 175.76 177.72 2ysx s TYR 47 N -2.35 0.80 -0.14 0.00 1.51 0.55 -1.57 117.35 116.15 2ysx s TYR 47 Ca 0.34 -1.08 -0.03 0.00 -1.01 0.00 0.00 57.07 55.30 2ysx s TYR 47 Cb -0.05 -0.15 0.05 0.00 -0.11 0.00 0.00 41.96 41.70 2ysx s TYR 47 CO 0.21 -0.88 0.03 0.00 -1.11 0.00 0.00 175.55 173.81 2ysx s ALA 48 N -3.91 0.75 -0.77 3.71 0.00 -0.41 -0.78 121.76 120.35 2ysx s ALA 48 Ca 0.30 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 2ysx s ALA 48 Cb 0.02 -0.97 0.20 0.00 0.00 0.00 0.00 23.12 22.38 2ysx s ALA 48 CO 0.12 -0.88 0.67 -1.17 0.00 0.00 0.00 175.76 174.51 2ysx s LEU 49 N 1.97 6.31 0.24 0.00 2.96 -0.34 -1.63 118.68 128.19 2ysx s LEU 49 Ca 0.02 -2.74 -0.30 0.00 -0.22 0.00 0.00 54.13 50.90 2ysx s LEU 49 Cb -0.15 -2.11 -0.09 0.00 0.50 0.00 0.00 46.19 44.35 2ysx s LEU 49 CO -0.07 -0.51 1.05 0.00 -1.32 0.00 0.00 176.35 175.50 2ysx s VAL 51 N -0.91 0.09 -0.33 0.00 1.01 -1.04 -0.79 120.40 118.43 2ysx s VAL 51 Ca 0.45 0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 2ysx s VAL 51 Cb -0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2ysx s VAL 51 CO 0.37 0.18 0.27 -0.22 0.00 0.00 0.00 175.10 175.70 2ysx s LEU 52 N 1.72 4.45 0.03 3.92 2.96 -0.57 -0.77 118.68 130.42 2ysx s LEU 52 Ca -0.00 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2ysx s LEU 52 Cb -0.13 -2.19 0.00 0.00 0.50 0.00 0.00 46.19 44.37 2ysx s LEU 52 CO -0.03 -0.24 0.00 0.00 -1.32 0.00 0.00 176.35 174.75 2ysx n TYR 53 N 5.18 -0.08 -3.56 5.38 9.36 -1.21 -2.53 117.16 129.69 2ysx n TYR 53 Ca -0.12 0.01 -0.39 0.00 3.32 0.00 0.00 57.90 60.73 2ysx n TYR 53 Cb 0.50 0.07 -0.05 0.00 -0.63 0.00 0.00 39.34 39.22 2ysx n TYR 53 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2ysx s ARG 54 N -1.23 3.33 -1.32 2.98 1.81 -1.26 -4.69 118.95 118.56 2ysx s ARG 54 Ca 0.00 -3.01 -0.17 0.00 -1.72 0.00 0.00 55.73 50.84 2ysx s ARG 54 Cb 0.00 -4.07 0.17 0.00 -0.45 0.00 0.00 34.95 30.59 2ysx s ARG 54 CO 0.00 -1.24 0.41 -1.71 -0.68 0.00 0.00 175.30 172.08 2ysx n ASN 55 N 2.85 -1.25 -3.74 0.23 5.15 -1.26 -4.83 115.26 112.40 2ysx n ASN 55 Ca 0.18 -0.88 -0.11 0.00 -0.60 0.00 0.00 54.58 53.17 2ysx n ASN 55 Cb 0.39 -1.12 -0.07 0.00 -0.53 0.00 0.00 39.78 38.45 2ysx n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ysx s VAL 57 N -2.76 4.15 -1.10 0.00 1.01 -1.26 -3.34 120.40 117.10 2ysx s VAL 57 Ca -0.03 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.50 2ysx s VAL 57 Cb -0.00 -3.47 0.12 0.00 0.00 0.00 0.00 36.38 33.03 2ysx s VAL 57 CO -0.05 -0.39 1.38 -0.31 0.00 0.00 0.00 175.10 175.74 2ysx s TYR 58 N 1.43 3.09 -0.24 5.22 1.51 0.05 -4.84 117.35 123.58 2ysx s TYR 58 Ca 0.02 -1.59 -0.29 0.00 -1.01 0.00 0.00 57.07 54.20 2ysx s TYR 58 Cb -0.22 -4.44 -0.01 0.00 -0.11 0.00 0.00 41.96 37.19 2ysx s TYR 58 CO 0.03 -1.58 1.34 0.99 -1.11 0.00 0.00 175.55 175.22 2ysx s THR 59 N 2.95 4.11 -0.19 -0.71 2.01 -1.26 -2.49 115.64 120.05 2ysx s THR 59 Ca 0.42 1.28 -0.08 0.00 0.31 0.00 0.00 61.69 63.62 2ysx s THR 59 Cb -0.02 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2ysx s THR 59 CO -0.04 -0.32 0.08 -0.31 -0.69 0.00 0.00 174.62 173.34 2ysx s TYR 60 N 4.19 3.27 -0.37 4.92 2.02 -1.02 -4.93 117.35 125.43 2ysx s TYR 60 Ca 0.58 0.09 -0.22 0.00 -0.37 0.00 0.00 57.07 57.15 2ysx s TYR 60 Cb -0.20 -2.11 0.01 0.00 -0.40 0.00 0.00 41.96 39.25 2ysx s TYR 60 CO 0.21 0.13 0.74 1.03 -1.57 0.00 0.00 175.55 176.09 2ysx s ARG 61 N 0.50 3.70 -0.57 -0.62 0.52 -1.26 -1.20 118.95 120.01 2ysx s ARG 61 Ca 0.04 0.19 -0.12 0.00 -0.52 0.00 0.00 55.73 55.32 2ysx s ARG 61 Cb -0.12 -3.82 0.14 0.00 0.52 0.00 0.00 34.95 31.67 2ysx s ARG 61 CO 0.01 -0.84 0.49 0.42 0.02 0.00 0.00 175.30 175.40 2ysx s ILE 62 N 2.99 4.82 0.42 1.52 1.01 0.04 -1.52 121.20 130.48 2ysx s ILE 62 Ca 0.29 -1.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.05 2ysx s ILE 62 Cb -0.14 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 2ysx s ILE 62 CO 0.17 -0.87 0.66 -0.76 0.00 0.00 0.00 174.94 174.14 2ysx s LEU 63 N 1.15 3.77 0.31 2.97 1.02 -1.24 -0.33 118.68 126.33 2ysx s LEU 63 Ca 0.08 0.51 -0.29 0.00 0.02 0.00 0.00 54.13 54.45 2ysx s LEU 63 Cb -0.24 -3.40 -0.10 0.00 0.02 0.00 0.00 46.19 42.47 2ysx s LEU 63 CO -0.01 -0.52 1.23 -2.16 0.02 0.00 0.00 176.35 174.91 2ysx s PRO 64 N -4.52 4.46 0.75 1.29 0.04 -1.13 -3.97 135.00 131.92 2ysx s PRO 64 Ca 0.45 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 63.49 2ysx s PRO 64 Cb -0.10 -3.12 0.11 0.00 0.04 0.00 0.00 34.50 31.43 2ysx s PRO 64 CO 0.39 -0.04 1.06 1.21 0.04 0.00 0.00 177.00 179.65 2ysx s ASN 65 N -0.59 4.34 0.24 6.66 3.04 0.68 -4.86 114.94 124.45 2ysx s ASN 65 Ca 0.48 0.12 -0.05 0.00 0.04 0.00 0.00 52.86 53.45 2ysx s ASN 65 Cb -0.37 -0.57 0.42 0.00 -1.54 0.00 0.00 41.25 39.19 2ysx s ASN 65 CO 0.48 -1.89 1.74 1.05 -3.04 0.00 0.00 177.10 175.44 2ysx h GLU 66 N -0.75 0.47 -1.16 0.43 4.11 -1.96 0.12 114.58 115.84 2ysx h GLU 66 Ca -0.42 -0.03 -0.26 0.00 0.07 0.00 0.00 59.36 58.72 2ysx h GLU 66 Cb 1.28 -0.11 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 2ysx h GLU 66 CO 0.49 0.31 0.34 -0.25 0.07 0.00 0.00 179.01 179.97 2ysx n ASP 67 N -4.96 4.26 -4.02 3.06 8.00 -1.26 -4.82 116.55 116.80 2ysx n ASP 67 Ca 0.13 -2.84 -0.32 0.00 0.71 0.00 0.00 54.79 52.47 2ysx n ASP 67 Cb 0.37 -0.78 0.01 0.00 -0.02 0.00 0.00 41.12 40.70 2ysx n ASP 67 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ysx n ASP 68 N -0.08 -4.33 -4.97 -2.24 -0.08 0.41 -4.96 116.55 100.31 2ysx n ASP 68 Ca 0.28 -0.86 -0.19 0.00 -1.51 0.00 0.00 54.79 52.52 2ysx n ASP 68 Cb 0.91 -3.48 0.00 0.00 2.34 0.00 0.00 41.12 40.89 2ysx n ASP 68 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2ysx s LYS 69 N -6.73 2.69 -0.12 -0.67 -0.14 -1.25 -4.75 119.74 108.77 2ysx s LYS 69 Ca 0.70 -1.38 -0.03 0.00 -1.36 0.00 0.00 55.97 53.90 2ysx s LYS 69 Cb -0.36 -2.62 -0.03 0.00 -1.68 0.00 0.00 37.83 33.13 2ysx s LYS 69 CO 0.86 -0.30 -0.01 -0.06 -0.76 0.00 0.00 175.35 175.08 2ysx s PHE 70 N -2.42 3.11 -0.28 3.18 0.08 -1.10 -0.23 117.98 120.32 2ysx s PHE 70 Ca 0.53 0.01 -0.22 0.00 0.12 0.00 0.00 56.93 57.37 2ysx s PHE 70 Cb -0.07 -1.88 0.12 0.00 -0.57 0.00 0.00 43.02 40.61 2ysx s PHE 70 CO 0.32 0.25 0.93 -0.08 -0.10 0.00 0.00 175.22 176.54 2ysx s THR 71 N -0.30 0.00 0.06 0.64 -1.32 -1.26 -2.97 115.64 110.49 2ysx s THR 71 Ca 0.06 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.24 2ysx s THR 71 Cb -0.12 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.78 2ysx s THR 71 CO 0.02 0.00 1.69 -0.69 -2.21 0.00 0.00 174.62 173.43 2ysx s VAL 72 N 0.72 3.03 0.32 5.08 1.01 -1.26 -3.73 120.40 125.56 2ysx s VAL 72 Ca -0.02 0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.48 2ysx s VAL 72 Cb -0.05 -3.28 0.31 0.00 0.00 0.00 0.00 36.38 33.37 2ysx s VAL 72 CO -0.09 -0.01 1.71 1.56 0.00 0.00 0.00 175.10 178.27 2ysx h GLN 73 N 8.60 0.49 -4.84 2.72 1.08 -1.62 -3.43 115.11 118.12 2ysx h GLN 73 Ca -0.43 -0.03 -0.59 0.00 -1.45 0.00 0.00 58.65 56.15 2ysx h GLN 73 Cb 1.20 -0.11 0.06 0.00 -0.05 0.00 0.00 27.48 28.59 2ysx h GLN 73 CO 0.93 0.33 -0.19 0.00 -0.95 0.00 0.00 178.83 178.95 2ysx n ALA 74 N -2.35 -2.78 -1.75 3.87 0.00 -1.26 -4.83 120.51 111.40 2ysx n ALA 74 Ca 0.27 0.42 -0.36 0.00 0.00 0.00 0.00 53.44 53.76 2ysx n ALA 74 Cb 0.76 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.89 2ysx n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ysx s SER 75 N -0.40 5.26 0.00 0.00 0.15 -1.26 -4.95 113.70 112.49 2ysx s SER 75 Ca 0.63 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.71 2ysx s SER 75 Cb -0.89 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 60.82 2ysx s SER 75 CO 0.46 -1.55 0.00 1.21 1.20 0.00 0.00 173.24 174.55 2ysx n GLU 76 N -1.44 0.00 0.00 5.44 2.13 -1.26 -5.03 120.64 120.48 2ysx n GLU 76 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2ysx n GLU 76 Cb 0.49 -0.23 0.00 0.00 0.27 0.00 0.00 31.44 31.97 2ysx n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ysx n GLY 77 N 2.08 -0.83 0.16 8.31 0.00 -1.26 -5.01 105.19 108.64 2ysx n GLY 77 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 2ysx n GLY 77 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ysx h VAL 78 N 0.00 1.37 -3.09 1.61 2.07 -2.05 -3.45 116.25 112.72 2ysx h VAL 78 Ca 0.00 -1.73 -0.23 0.00 0.82 0.00 0.00 66.70 65.56 2ysx h VAL 78 Cb 0.00 2.14 -0.32 0.00 -1.52 0.00 0.00 31.29 31.59 2ysx h VAL 78 CO 0.00 0.52 -0.55 -0.55 0.02 0.00 0.00 177.57 177.01 2ysx s SER 79 N -6.57 0.02 0.01 0.57 0.15 -1.26 -5.14 113.70 101.48 2ysx s SER 79 Ca -0.13 0.43 -0.23 0.00 0.70 0.00 0.00 55.95 56.72 2ysx s SER 79 Cb 0.05 0.36 -0.05 0.00 -1.71 0.00 0.00 66.02 64.67 2ysx s SER 79 CO 0.81 -0.18 0.70 -0.04 1.20 0.00 0.00 173.24 175.73 2ysx s MET 80 N 1.55 4.43 -0.40 5.44 1.00 -1.26 -5.00 119.30 125.06 2ysx s MET 80 Ca -0.06 0.93 -0.28 0.00 0.00 0.00 0.00 55.69 56.28 2ysx s MET 80 Cb -0.11 -3.37 -0.02 0.00 0.00 0.00 0.00 34.83 31.33 2ysx s MET 80 CO -0.07 0.28 1.78 1.03 0.00 0.00 0.00 175.02 178.03 2ysx s ARG 81 N 0.04 3.20 -0.23 2.03 0.52 -1.26 -4.96 118.95 118.28 2ysx s ARG 81 Ca 0.36 1.20 -0.25 0.00 -0.52 0.00 0.00 55.73 56.52 2ysx s ARG 81 Cb -0.19 -4.22 -0.00 0.00 0.52 0.00 0.00 34.95 31.05 2ysx s ARG 81 CO 0.20 -2.03 0.84 -0.06 0.02 0.00 0.00 175.30 174.28 2ysx s PHE 82 N 7.26 3.32 -0.17 -0.53 0.08 -1.26 -4.90 117.98 121.78 2ysx s PHE 82 Ca 0.75 1.17 -0.07 0.00 0.12 0.00 0.00 56.93 58.90 2ysx s PHE 82 Cb -0.19 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 39.16 2ysx s PHE 82 CO 0.31 -0.39 0.06 -0.06 -0.10 0.00 0.00 175.22 175.04 2ysx s PHE 83 N 2.80 3.27 0.08 0.36 0.40 -1.16 -4.92 117.98 118.82 2ysx s PHE 83 Ca 0.36 0.12 -0.29 0.00 -0.60 0.00 0.00 56.93 56.52 2ysx s PHE 83 Cb -0.15 -2.04 -0.17 0.00 0.51 0.00 0.00 43.02 41.17 2ysx s PHE 83 CO 0.08 0.23 1.66 1.15 0.70 0.00 0.00 175.22 179.04 2ysx h THR 84 N 4.72 0.59 -3.57 0.64 2.02 -1.95 -2.90 112.91 112.47 2ysx h THR 84 Ca -0.40 -0.01 -0.52 0.00 0.77 0.00 0.00 66.41 66.25 2ysx h THR 84 Cb 1.17 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 2ysx h THR 84 CO 0.68 0.00 0.30 -0.54 0.37 0.00 0.00 175.52 176.33 2ysx s LYS 85 N -6.07 4.67 0.27 6.66 -0.14 -1.26 -4.61 119.74 119.26 2ysx s LYS 85 Ca -0.16 1.35 -0.04 0.00 -1.36 0.00 0.00 55.97 55.77 2ysx s LYS 85 Cb 0.04 -3.35 0.36 0.00 -1.68 0.00 0.00 37.83 33.21 2ysx s LYS 85 CO 0.63 0.32 1.91 1.25 -0.76 0.00 0.00 175.35 178.70 2ysx h LEU 86 N 5.21 1.07 0.37 3.17 7.12 -1.97 -2.90 115.31 127.39 2ysx h LEU 86 Ca -0.44 -0.01 -0.02 0.00 0.13 0.00 0.00 57.88 57.54 2ysx h LEU 86 Cb 1.21 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.10 2ysx h LEU 86 CO 0.70 0.73 -0.18 -0.78 -0.13 0.00 0.00 178.44 178.79 2ysx h ASP 87 N 1.24 -0.42 -1.00 1.25 1.82 -1.96 -3.00 116.42 114.36 2ysx h ASP 87 Ca 0.39 -0.13 0.38 0.00 -0.39 0.00 0.00 57.03 57.28 2ysx h ASP 87 Cb 0.01 0.11 -0.18 0.00 0.68 0.00 0.00 39.33 39.95 2ysx h ASP 87 CO -0.12 -0.07 0.43 1.56 -1.61 0.00 0.00 179.24 179.42 2ysx h GLN 88 N -0.80 0.02 0.35 0.28 1.08 -1.92 0.33 115.11 114.45 2ysx h GLN 88 Ca -0.05 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 2ysx h GLN 88 Cb 0.52 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2ysx h GLN 88 CO 0.08 0.01 -0.17 1.25 -0.95 0.00 0.00 178.83 179.06 2ysx h LEU 89 N 0.02 -0.39 -1.06 1.46 6.46 -1.43 -2.93 115.31 117.45 2ysx h LEU 89 Ca 0.79 -0.10 0.21 0.00 -0.12 0.00 0.00 57.88 58.66 2ysx h LEU 89 Cb 1.98 0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 41.91 2ysx h LEU 89 CO -0.79 -0.13 0.61 0.40 -0.62 0.00 0.00 178.44 177.91 2ysx h ILE 90 N -0.65 0.66 -0.82 4.05 1.08 -0.25 0.19 117.51 121.75 2ysx h ILE 90 Ca -0.05 -0.23 0.04 0.00 -0.39 0.00 0.00 64.86 64.23 2ysx h ILE 90 Cb 0.46 -0.09 -0.05 0.00 -3.07 0.00 0.00 36.82 34.08 2ysx h ILE 90 CO 0.08 0.12 0.54 -0.33 -0.69 0.00 0.00 178.15 177.87 2ysx h GLU 91 N 0.68 0.98 -0.49 2.37 5.08 -1.09 0.29 114.58 122.40 2ysx h GLU 91 Ca 0.59 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.85 2ysx h GLU 91 Cb 1.03 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2ysx h GLU 91 CO -0.39 0.65 0.16 0.35 -1.00 0.00 0.00 179.01 178.78 2ysx h PHE 92 N 1.00 0.79 -0.10 4.33 3.57 -0.49 -3.02 116.94 123.03 2ysx h PHE 92 Ca 0.33 -0.08 -0.21 0.00 3.53 0.00 0.00 57.97 61.55 2ysx h PHE 92 Cb 0.06 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.58 2ysx h PHE 92 CO -0.00 0.69 -0.78 1.88 -2.23 0.00 0.00 178.31 177.86 2ysx h TYR 93 N 0.66 0.80 -1.07 0.41 -1.99 -1.12 -3.23 116.97 111.43 2ysx h TYR 93 Ca 0.16 -0.36 0.36 0.00 2.00 0.00 0.00 58.73 60.88 2ysx h TYR 93 Cb 0.26 -0.12 -0.09 0.00 2.00 0.00 0.00 36.73 38.78 2ysx h TYR 93 CO 0.01 1.16 0.71 1.63 -0.00 0.00 0.00 178.16 181.67 2ysx n LYS 94 N -3.87 -0.02 -0.47 4.88 5.02 0.95 -4.39 118.16 120.26 2ysx n LYS 94 Ca -0.06 0.88 -0.20 0.00 -2.02 0.00 0.00 58.31 56.90 2ysx n LYS 94 Cb 0.74 -1.78 0.18 0.00 -0.02 0.00 0.00 35.03 34.15 2ysx n LYS 94 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ysx n LYS 95 N -3.99 -2.77 -0.35 1.97 4.76 -1.22 -3.25 118.16 113.31 2ysx n LYS 95 Ca 0.30 -0.82 -0.13 0.00 -2.87 0.00 0.00 58.31 54.78 2ysx n LYS 95 Cb 1.19 -1.57 0.13 0.00 -1.84 0.00 0.00 35.03 32.94 2ysx n LYS 95 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2ysx n GLU 96 N -2.58 -1.53 -1.67 1.97 0.00 -1.26 -4.33 120.64 111.23 2ysx n GLU 96 Ca 0.07 -0.64 -0.17 0.00 0.00 0.00 0.00 57.16 56.42 2ysx n GLU 96 Cb 0.40 -1.18 -0.11 0.00 0.00 0.00 0.00 31.44 30.55 2ysx n GLU 96 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2ysx s ASN 97 N -2.04 3.63 -0.19 -1.84 0.01 -1.26 -4.56 114.94 108.69 2ysx s ASN 97 Ca 0.30 -1.09 -0.12 0.00 -0.71 0.00 0.00 52.86 51.24 2ysx s ASN 97 Cb -0.05 -2.60 -0.21 0.00 0.41 0.00 0.00 41.25 38.80 2ysx s ASN 97 CO 0.25 -4.56 0.16 0.80 -1.51 0.00 0.00 177.10 172.24 2ysx n MET 98 N 8.18 0.66 0.03 -0.60 1.56 -1.26 -4.90 117.12 120.78 2ysx n MET 98 Ca 0.42 0.36 0.00 0.00 -0.27 0.00 0.00 57.70 58.21 2ysx n MET 98 Cb 0.47 -1.68 0.00 0.00 2.15 0.00 0.00 33.22 34.16 2ysx n MET 98 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2ysx n GLY 99 N 1.74 -0.06 3.51 -5.12 0.00 -1.26 -5.10 105.19 98.90 2ysx n GLY 99 Ca -0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -5.79 0.45 0.15 0.99 1.43 -1.26 -4.94 118.68 109.72 2ysx s LEU 100 Ca 0.00 1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 54.01 2ysx s LEU 100 Cb 0.00 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.41 2ysx s LEU 100 CO 0.00 -4.25 1.60 1.62 0.23 0.00 0.00 176.35 175.55 2ysx h VAL 101 N -2.66 1.26 -3.99 -1.59 3.04 -1.96 -3.46 116.25 106.90 2ysx h VAL 101 Ca -0.52 -1.09 -0.16 0.00 -1.01 0.00 0.00 66.70 63.92 2ysx h VAL 101 Cb 1.33 0.97 -0.20 0.00 -2.01 0.00 0.00 31.29 31.37 2ysx h VAL 101 CO 0.43 0.38 -0.69 0.28 -1.01 0.00 0.00 177.57 176.97 2ysx s THR 102 N -5.01 0.12 0.36 3.17 -1.32 -1.26 -4.93 115.64 106.77 2ysx s THR 102 Ca -0.12 -1.00 -0.27 0.00 -1.21 0.00 0.00 61.69 59.09 2ysx s THR 102 Cb 0.12 -0.41 -0.09 0.00 -1.51 0.00 0.00 72.50 70.61 2ysx s THR 102 CO 0.83 -0.55 1.16 -1.38 -2.21 0.00 0.00 174.62 172.47 2ysx s HIS 103 N -1.73 3.22 -0.57 9.09 -3.43 -1.26 -4.90 115.29 115.71 2ysx s HIS 103 Ca -0.13 1.58 -0.26 0.00 -0.80 0.00 0.00 55.06 55.45 2ysx s HIS 103 Cb -0.08 -3.38 -0.07 0.00 -1.43 0.00 0.00 32.58 27.61 2ysx s HIS 103 CO -0.02 -1.14 2.32 -0.51 -2.00 0.00 0.00 174.74 173.39 2ysx s LEU 104 N -2.13 3.30 -0.20 5.38 1.43 -1.20 -4.76 118.68 120.51 2ysx s LEU 104 Ca 0.53 0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 54.23 2ysx s LEU 104 Cb -0.32 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 43.30 2ysx s LEU 104 CO 0.40 -2.96 -0.19 0.00 0.23 0.00 0.00 176.35 173.83 2ysx n GLN 105 N 9.00 0.53 -3.94 1.70 6.02 -1.07 -4.86 117.38 124.77 2ysx n GLN 105 Ca 0.36 0.39 -0.31 0.00 -0.01 0.00 0.00 57.00 57.43 2ysx n GLN 105 Cb 0.53 -1.58 -0.15 0.00 1.02 0.00 0.00 30.24 30.05 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 -2.52 3.21 -1.19 1.08 2.02 0.32 -5.04 117.35 115.23 2ysx s TYR 106 Ca -0.27 -2.78 -0.23 0.00 -0.37 0.00 0.00 57.07 53.42 2ysx s TYR 106 Cb 0.06 -2.64 -0.09 0.00 -0.40 0.00 0.00 41.96 38.89 2ysx s TYR 106 CO 0.42 -0.89 1.94 -0.35 -1.57 0.00 0.00 175.55 175.09 2ysx n PRO 107 N 4.13 1.60 -1.10 -1.71 -0.04 -1.26 -3.51 135.00 133.11 2ysx n PRO 107 Ca 0.03 -2.47 -0.40 0.00 -0.04 0.00 0.00 63.50 60.63 2ysx n PRO 107 Cb 0.40 -3.73 -0.11 0.00 -0.04 0.00 0.00 33.50 30.02 2ysx n PRO 107 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2ysx n VAL 108 N 7.80 0.00 -0.90 0.52 0.24 -1.15 -4.49 118.33 120.35 2ysx n VAL 108 Ca 0.45 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.53 2ysx n VAL 108 Cb 0.46 -0.40 0.18 0.00 -1.47 0.00 0.00 33.84 32.62 2ysx n VAL 108 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2ysx n PRO 109 N 6.38 -2.59 -1.52 7.34 -0.04 -1.26 -4.35 135.00 138.95 2ysx n PRO 109 Ca 0.48 -1.28 -0.29 0.00 -0.04 0.00 0.00 63.50 62.37 2ysx n PRO 109 Cb -0.00 -1.20 0.15 0.00 -0.04 0.00 0.00 33.50 32.41 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 1.93 -0.75 1.53 1.43 -1.26 -4.94 118.68 116.63 2ysx s LEU 110 Ca 0.52 0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 54.39 2ysx s LEU 110 Cb -0.05 -3.06 0.19 0.00 0.03 0.00 0.00 46.19 43.31 2ysx s LEU 110 CO 0.40 -2.78 0.63 -1.61 0.23 0.00 0.00 176.35 173.22 2ysx s GLU 111 N -5.36 3.12 0.56 1.70 0.41 -1.26 -5.07 118.70 112.80 2ysx s GLU 111 Ca 0.66 -2.59 -0.18 0.00 -0.41 0.00 0.00 54.97 52.45 2ysx s GLU 111 Cb -0.13 -4.07 -0.05 0.00 -1.78 0.00 0.00 34.13 28.10 2ysx s GLU 111 CO 0.54 -1.23 1.09 -1.21 -0.49 0.00 0.00 175.26 173.96 2ysx s GLU 112 N -0.12 3.35 -0.38 1.61 2.02 -1.26 -5.02 118.70 118.91 2ysx s GLU 112 Ca 0.19 1.45 -0.11 0.00 0.02 0.00 0.00 54.97 56.52 2ysx s GLU 112 Cb -0.15 -2.02 0.03 0.00 0.10 0.00 0.00 34.13 32.10 2ysx s GLU 112 CO -0.06 -0.82 0.21 -2.00 0.02 0.00 0.00 175.26 172.61 2ysx s GLU 113 N -3.55 2.79 -0.47 1.61 2.56 -1.26 -5.03 118.70 115.35 2ysx s GLU 113 Ca 0.69 -1.13 -0.26 0.00 0.00 0.00 0.00 54.97 54.26 2ysx s GLU 113 Cb -0.20 -3.74 -0.06 0.00 2.00 0.00 0.00 34.13 32.12 2ysx s GLU 113 CO 0.29 -0.74 2.34 -0.51 -0.56 0.00 0.00 175.26 176.09 2ysx s ASP 114 N 1.62 4.61 -0.10 -1.70 1.01 -1.26 -4.91 116.67 115.94 2ysx s ASP 114 Ca 0.02 1.10 -0.06 0.00 0.71 0.00 0.00 52.55 54.32 2ysx s ASP 114 Cb -0.20 -2.50 0.04 0.00 1.01 0.00 0.00 42.92 41.27 2ysx s ASP 114 CO 0.06 -2.75 0.25 0.28 0.21 0.00 0.00 175.17 173.22 2ysx s THR 115 N 11.55 -0.03 0.00 -1.27 -1.32 -1.26 -5.09 115.64 118.22 2ysx s THR 115 Ca 0.95 0.10 0.00 0.00 -1.21 0.00 0.00 61.69 61.54 2ysx s THR 115 Cb -0.18 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 2ysx s THR 115 CO 0.26 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.33 2ysx n GLY 116 N 3.87 2.27 2.77 6.08 0.00 -1.26 -4.93 105.19 113.99 2ysx n GLY 116 Ca -0.22 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 2ysx n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ysx n ASP 117 N 7.53 -1.28 -3.36 1.61 5.68 -1.26 -5.02 116.55 120.45 2ysx n ASP 117 Ca 0.00 -1.69 -0.16 0.00 -0.50 0.00 0.00 54.79 52.44 2ysx n ASP 117 Cb 0.00 2.08 0.08 0.00 -1.14 0.00 0.00 41.12 42.14 2ysx n ASP 117 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2ysx n ASP 118 N -1.11 -4.21 0.00 -1.12 8.00 -1.26 -5.25 116.55 111.59 2ysx n ASP 118 Ca -0.02 -0.67 0.08 0.00 0.71 0.00 0.00 54.79 54.89 2ysx n ASP 118 Cb 0.42 -5.12 0.46 0.00 -0.02 0.00 0.00 41.12 36.86 2ysx n ASP 118 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00