#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 -0.33 -0.26 1.61 0.15 -1.26 -5.06 113.70 108.54 2ysx s SER 2 Ca 0.00 0.60 -0.07 0.00 0.70 0.00 0.00 55.95 57.17 2ysx s SER 2 Cb 0.00 0.64 -0.14 0.00 -1.71 0.00 0.00 66.02 64.81 2ysx s SER 2 CO 0.00 -0.17 -0.30 -0.24 1.20 0.00 0.00 173.24 173.73 2ysx n SER 3 N 2.64 1.96 -2.66 5.45 2.88 -1.26 -5.06 113.62 117.57 2ysx n SER 3 Ca -0.14 0.14 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 2ysx n SER 3 Cb 0.57 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 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 1.70 0.02 3.15 0.46 0.00 -1.26 -4.97 105.19 104.29 2ysx n GLY 4 Ca -0.50 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2ysx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysx s SER 5 N -0.84 1.96 -0.58 1.61 0.01 -1.26 -5.10 113.70 109.50 2ysx s SER 5 Ca 0.05 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.04 2ysx s SER 5 Cb -0.00 -0.26 0.14 0.00 0.21 0.00 0.00 66.02 66.10 2ysx s SER 5 CO 0.10 0.19 0.34 -0.55 0.41 0.00 0.00 173.24 173.74 2ysx s SER 6 N -0.32 4.56 0.25 2.44 0.15 -1.26 -5.07 113.70 114.45 2ysx s SER 6 Ca 0.05 -3.18 -0.06 0.00 0.70 0.00 0.00 55.95 53.45 2ysx s SER 6 Cb -0.07 -1.67 -0.02 0.00 -1.71 0.00 0.00 66.02 62.55 2ysx s SER 6 CO -0.00 -0.22 0.36 -0.83 1.20 0.00 0.00 173.24 173.75 2ysx s GLY 7 N -0.41 1.09 -0.91 9.45 0.00 -1.26 -5.06 107.32 110.22 2ysx s GLY 7 Ca 0.19 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.57 2ysx s GLY 7 CO -0.04 -0.99 1.99 1.03 0.00 0.00 0.00 173.10 175.09 2ysx n MET 8 N -0.39 3.67 -1.57 2.90 0.00 -1.26 -5.03 117.12 115.45 2ysx n MET 8 Ca 0.00 -3.87 -0.41 0.00 0.00 0.00 0.00 57.70 53.42 2ysx n MET 8 Cb 0.63 -2.34 0.02 0.00 0.00 0.00 0.00 33.22 31.53 2ysx n MET 8 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2ysx n VAL 9 N -0.31 2.48 -1.20 2.03 0.24 -1.26 -4.96 118.33 115.35 2ysx n VAL 9 Ca 0.52 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 62.02 2ysx n VAL 9 Cb 0.25 -1.00 0.15 0.00 -1.47 0.00 0.00 33.84 31.76 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 -2.04 1.09 -0.00 7.34 0.04 -1.26 -5.00 135.00 135.16 2ysx s PRO 10 Ca 0.65 0.76 0.03 0.00 0.04 0.00 0.00 61.00 62.49 2ysx s PRO 10 Cb -0.54 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2ysx s PRO 10 CO 0.55 -2.34 0.12 0.00 0.04 0.00 0.00 177.00 175.37 2ysx n TRP 12 N -1.27 0.00 -3.59 0.00 4.27 -1.26 -4.09 117.44 111.51 2ysx n TRP 12 Ca 0.00 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.24 2ysx n TRP 12 Cb 0.07 -0.45 -0.06 0.00 -1.36 0.00 0.00 31.31 29.51 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 -1.45 4.38 0.50 -0.67 2.85 -1.26 0.17 115.26 119.79 2ysx n ASN 13 Ca 0.09 -3.14 -0.20 0.00 -0.11 0.00 0.00 54.58 51.22 2ysx n ASN 13 Cb 0.31 -1.08 -0.09 0.00 1.24 0.00 0.00 39.78 40.16 2ysx n ASN 13 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 2ysx h HIS 14 N 5.98 -1.19 0.00 1.20 3.86 -1.65 -3.49 115.15 119.86 2ysx h HIS 14 Ca 0.17 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2ysx h HIS 14 Cb 0.80 0.39 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2ysx h HIS 14 CO 0.73 -0.74 0.00 0.41 0.86 0.00 0.00 177.93 179.19 2ysx n GLY 15 N -1.59 0.30 3.50 2.45 0.00 -1.23 -4.99 105.19 103.63 2ysx n GLY 15 Ca -0.16 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 2ysx n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ysx s ASN 16 N -4.00 6.17 0.03 1.61 -0.87 -1.26 -0.77 114.94 115.84 2ysx s ASN 16 Ca 0.00 -0.73 0.02 0.00 -1.57 0.00 0.00 52.86 50.58 2ysx s ASN 16 Cb 0.00 -2.48 -0.02 0.00 -0.02 0.00 0.00 41.25 38.73 2ysx s ASN 16 CO 0.00 -1.62 -0.07 0.27 -2.57 0.00 0.00 177.10 173.11 2ysx s ILE 17 N 4.82 0.48 0.92 0.60 -4.36 -1.26 -4.99 121.20 117.40 2ysx s ILE 17 Ca 0.28 -0.83 -0.11 0.00 -0.26 0.00 0.00 60.65 59.73 2ysx s ILE 17 Cb -0.13 -0.51 0.14 0.00 1.25 0.00 0.00 42.46 43.21 2ysx s ILE 17 CO 0.13 -0.25 1.09 0.28 0.24 0.00 0.00 174.94 176.43 2ysx s THR 18 N -1.04 2.56 0.41 8.37 -1.32 -1.26 -4.79 115.64 118.57 2ysx s THR 18 Ca -0.07 0.18 0.33 0.00 -1.21 0.00 0.00 61.69 60.92 2ysx s THR 18 Cb -0.08 -2.50 0.35 0.00 -1.51 0.00 0.00 72.50 68.77 2ysx s THR 18 CO 0.00 -0.24 2.13 -0.09 -2.21 0.00 0.00 174.62 174.22 2ysx h ARG 19 N -1.70 0.00 0.00 7.08 2.43 -2.00 -1.62 114.38 118.57 2ysx h ARG 19 Ca -0.49 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.57 2ysx h ARG 19 Cb 1.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2ysx h ARG 19 CO 0.50 0.06 -0.54 1.03 -1.51 0.00 0.00 179.97 179.52 2ysx h SER 20 N 0.00 0.00 0.00 -3.80 0.87 -1.99 -3.00 113.55 105.62 2ysx h SER 20 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2ysx h SER 20 Cb 0.29 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2ysx h SER 20 CO 0.01 0.54 -0.18 0.50 -0.53 0.00 0.00 176.83 177.16 2ysx h LYS 21 N 0.00 0.00 -0.99 2.24 1.63 -1.66 -2.00 116.57 115.80 2ysx h LYS 21 Ca -0.01 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.94 2ysx h LYS 21 Cb 1.28 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.82 2ysx h LYS 21 CO 0.07 0.83 0.62 0.00 -3.45 0.00 0.00 179.45 177.52 2ysx h ALA 22 N -0.24 1.63 0.08 5.00 0.00 -1.54 0.37 119.26 124.55 2ysx h ALA 22 Ca -0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ysx h ALA 22 Cb 0.88 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2ysx h ALA 22 CO -0.03 0.09 -0.04 0.93 0.00 0.00 0.00 179.25 180.20 2ysx h GLU 23 N 0.87 -0.10 -0.66 0.00 5.08 -1.65 -3.28 114.58 114.85 2ysx h GLU 23 Ca 0.52 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 59.02 2ysx h GLU 23 Cb 0.66 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.82 2ysx h GLU 23 CO -0.29 0.41 -0.02 1.49 -1.00 0.00 0.00 179.01 179.60 2ysx h GLU 24 N -0.93 0.10 -0.90 2.33 4.57 -1.06 0.41 114.58 119.10 2ysx h GLU 24 Ca -0.01 -0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.38 2ysx h GLU 24 Cb 0.55 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.06 2ysx h GLU 24 CO 0.02 0.06 0.60 -0.07 -1.18 0.00 0.00 179.01 178.44 2ysx h LEU 25 N 0.10 0.34 0.17 1.64 3.38 -1.04 -0.68 115.31 119.22 2ysx h LEU 25 Ca 0.35 0.04 -0.27 0.00 0.09 0.00 0.00 57.88 58.08 2ysx h LEU 25 Cb 0.57 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.32 2ysx h LEU 25 CO -0.58 0.13 -1.26 -0.07 0.09 0.00 0.00 178.44 176.75 2ysx h LEU 26 N 0.34 0.57 0.43 1.67 3.38 -0.39 -3.25 115.31 118.07 2ysx h LEU 26 Ca 0.46 -0.92 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 2ysx h LEU 26 Cb 1.26 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2ysx h LEU 26 CO -0.16 1.59 -0.50 0.28 0.09 0.00 0.00 178.44 179.74 2ysx h SER 27 N -0.15 -1.41 -0.80 -0.43 0.02 0.53 -2.31 113.55 109.01 2ysx h SER 27 Ca -0.24 0.12 0.17 0.00 -0.84 0.00 0.00 61.79 61.01 2ysx h SER 27 Cb 1.88 0.48 -0.11 0.00 0.14 0.00 0.00 62.40 64.78 2ysx h SER 27 CO 0.17 -0.64 0.28 0.08 -1.14 0.00 0.00 176.83 175.57 2ysx h ARG 28 N -0.95 0.35 -0.24 3.45 0.11 -1.35 -1.56 114.38 114.18 2ysx h ARG 28 Ca -0.05 -0.02 0.06 0.00 0.10 0.00 0.00 59.98 60.07 2ysx h ARG 28 Cb 0.85 -0.08 -0.07 0.00 1.11 0.00 0.00 29.97 31.78 2ysx h ARG 28 CO -0.10 0.23 -0.34 1.15 0.10 0.00 0.00 179.97 181.00 2ysx h THR 29 N 0.36 0.23 -4.76 0.08 2.02 -1.46 -3.47 112.91 105.92 2ysx h THR 29 Ca 0.46 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.48 2ysx h THR 29 Cb 0.80 0.23 0.13 0.00 -1.74 0.00 0.00 68.15 67.58 2ysx h THR 29 CO -0.49 0.00 -0.57 0.61 0.37 0.00 0.00 175.52 175.44 2ysx n GLY 30 N -1.42 -0.61 3.22 2.16 0.00 -0.59 -5.06 105.19 102.89 2ysx n GLY 30 Ca -0.02 0.34 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.93 1.26 -0.59 1.61 1.02 -1.26 -5.07 119.74 112.78 2ysx s LYS 31 Ca 0.31 -1.67 0.02 0.00 0.02 0.00 0.00 55.97 54.65 2ysx s LYS 31 Cb -0.04 0.21 0.40 0.00 -0.52 0.00 0.00 37.83 37.88 2ysx s LYS 31 CO 0.53 -0.39 1.51 -0.40 -0.92 0.00 0.00 175.35 175.68 2ysx n ASP 32 N -0.37 5.94 -0.54 2.83 5.68 -1.26 -4.52 116.55 124.31 2ysx n ASP 32 Ca 0.02 -3.77 -0.01 0.00 -0.50 0.00 0.00 54.79 50.53 2ysx n ASP 32 Cb 0.66 -0.70 -0.01 0.00 -1.14 0.00 0.00 41.12 39.93 2ysx n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ysx n GLY 33 N -0.55 -0.42 3.85 6.12 0.00 -1.18 -4.90 105.19 108.12 2ysx n GLY 33 Ca 0.46 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.08 6.77 0.11 1.61 0.01 -1.22 -1.79 113.70 119.11 2ysx s SER 34 Ca 0.00 1.04 -0.22 0.00 1.31 0.00 0.00 55.95 58.08 2ysx s SER 34 Cb 0.00 -2.28 0.06 0.00 0.21 0.00 0.00 66.02 64.01 2ysx s SER 34 CO -0.00 0.03 0.55 0.72 0.41 0.00 0.00 173.24 174.95 2ysx s PHE 35 N -1.60 -0.46 0.22 2.43 -0.71 -1.24 -1.60 117.98 115.03 2ysx s PHE 35 Ca 0.42 0.33 -0.22 0.00 -1.04 0.00 0.00 56.93 56.42 2ysx s PHE 35 Cb -0.14 0.44 0.06 0.00 -1.21 0.00 0.00 43.02 42.18 2ysx s PHE 35 CO 0.20 -0.76 0.94 -0.48 -1.34 0.00 0.00 175.22 173.77 2ysx s LEU 36 N -2.49 -0.08 0.04 -1.99 0.05 -1.08 -2.11 118.68 111.02 2ysx s LEU 36 Ca -0.01 -0.68 0.04 0.00 0.05 0.00 0.00 54.13 53.53 2ysx s LEU 36 Cb -0.00 2.32 -0.02 0.00 -2.05 0.00 0.00 46.19 46.44 2ysx s LEU 36 CO -0.09 -1.14 -0.12 -0.69 -0.55 0.00 0.00 176.35 173.77 2ysx s VAL 37 N -2.71 0.89 0.07 1.48 1.01 0.45 -1.74 120.40 119.85 2ysx s VAL 37 Ca 0.16 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 2ysx s VAL 37 Cb -0.03 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.54 2ysx s VAL 37 CO 0.06 -0.07 0.34 0.00 0.00 0.00 0.00 175.10 175.43 2ysx s ARG 38 N -1.12 0.90 -0.35 2.72 1.70 -0.55 -2.36 118.95 119.90 2ysx s ARG 38 Ca -0.01 -0.57 -0.29 0.00 -0.47 0.00 0.00 55.73 54.39 2ysx s ARG 38 Cb -0.08 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 2ysx s ARG 38 CO 0.01 -0.31 1.42 0.00 -1.08 0.00 0.00 175.30 175.34 2ysx s ALA 39 N -2.97 3.17 0.02 7.88 0.00 0.05 0.56 121.76 130.46 2ysx s ALA 39 Ca -0.02 0.02 -0.39 0.00 0.00 0.00 0.00 51.96 51.57 2ysx s ALA 39 Cb 0.00 -3.88 -0.19 0.00 0.00 0.00 0.00 23.12 19.05 2ysx s ALA 39 CO -0.06 -2.15 1.08 0.45 0.00 0.00 0.00 175.76 175.08 2ysx n SER 40 N 8.46 0.14 0.00 0.00 2.88 -1.24 -4.71 113.62 119.16 2ysx n SER 40 Ca 0.16 1.15 0.07 0.00 -1.33 0.00 0.00 58.87 58.93 2ysx n SER 40 Cb 0.47 -0.96 0.38 0.00 -0.75 0.00 0.00 64.21 63.36 2ysx n SER 40 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2ysx n GLU 41 N 1.60 0.34 -0.09 -1.46 0.28 -1.26 -2.65 120.64 117.39 2ysx n GLU 41 Ca 0.20 0.06 -0.14 0.00 -0.16 0.00 0.00 57.16 57.12 2ysx n GLU 41 Cb 0.10 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.39 2ysx n GLU 41 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2ysx n SER 42 N -1.12 2.41 -3.68 -1.84 7.64 -1.26 -4.96 113.62 110.82 2ysx n SER 42 Ca 0.09 -0.05 -0.25 0.00 1.01 0.00 0.00 58.87 59.66 2ysx n SER 42 Cb 0.07 -0.33 -0.17 0.00 -1.01 0.00 0.00 64.21 62.77 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 -2.37 0.16 0.15 0.44 1.01 -1.09 -5.03 121.20 114.48 2ysx s ILE 43 Ca -0.25 -0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.09 2ysx s ILE 43 Cb 0.07 -0.63 0.03 0.00 0.01 0.00 0.00 42.46 41.94 2ysx s ILE 43 CO 0.42 -0.10 1.73 -1.28 0.00 0.00 0.00 174.94 175.70 2ysx h SER 44 N 8.36 -0.01 -0.93 3.58 0.87 -1.91 -1.26 113.55 122.25 2ysx h SER 44 Ca -0.16 0.06 0.20 0.00 -1.23 0.00 0.00 61.79 60.66 2ysx h SER 44 Cb 1.13 0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 63.10 2ysx h SER 44 CO 0.28 0.03 0.60 0.03 -0.53 0.00 0.00 176.83 177.24 2ysx h ARG 45 N 0.17 0.50 -7.77 2.24 -0.00 -1.96 -3.42 114.38 104.15 2ysx h ARG 45 Ca 0.16 -0.03 -0.44 0.00 -0.50 0.00 0.00 59.98 59.17 2ysx h ARG 45 Cb 0.19 -0.11 0.17 0.00 0.00 0.00 0.00 29.97 30.22 2ysx h ARG 45 CO -0.22 0.33 0.38 0.00 0.00 0.00 0.00 179.97 180.46 2ysx s ALA 46 N -5.55 1.95 0.34 0.04 0.00 -0.47 -4.86 121.76 113.20 2ysx s ALA 46 Ca -0.09 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 50.74 2ysx s ALA 46 Cb 0.23 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 2ysx s ALA 46 CO 0.79 -2.67 0.22 0.71 0.00 0.00 0.00 175.76 174.82 2ysx s TYR 47 N -3.76 1.71 -0.18 0.00 2.02 -0.57 -3.62 117.35 112.95 2ysx s TYR 47 Ca 0.74 -1.53 -0.04 0.00 -0.37 0.00 0.00 57.07 55.86 2ysx s TYR 47 Cb -0.04 -0.82 0.08 0.00 -0.40 0.00 0.00 41.96 40.78 2ysx s TYR 47 CO 0.54 -0.69 0.18 0.00 -1.57 0.00 0.00 175.55 174.00 2ysx s ALA 48 N -3.46 -0.09 -0.48 3.71 0.00 0.19 -0.29 121.76 121.35 2ysx s ALA 48 Ca 0.36 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.33 2ysx s ALA 48 Cb 0.03 -1.17 0.07 0.00 0.00 0.00 0.00 23.12 22.05 2ysx s ALA 48 CO 0.23 -1.09 0.45 -1.17 0.00 0.00 0.00 175.76 174.18 2ysx s LEU 49 N 2.28 5.45 0.41 0.00 2.96 0.56 -1.48 118.68 128.86 2ysx s LEU 49 Ca 0.05 -1.22 -0.01 0.00 -0.22 0.00 0.00 54.13 52.73 2ysx s LEU 49 Cb -0.15 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 2ysx s LEU 49 CO -0.10 -0.71 0.65 0.00 -1.32 0.00 0.00 176.35 174.87 2ysx s VAL 51 N -2.50 -0.66 -0.34 0.00 1.01 -0.95 -2.62 120.40 114.33 2ysx s VAL 51 Ca 0.44 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 2ysx s VAL 51 Cb -0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2ysx s VAL 51 CO 0.39 0.01 0.24 -0.22 0.00 0.00 0.00 175.10 175.51 2ysx s LEU 52 N 2.48 4.49 0.03 3.92 2.96 -0.63 -0.72 118.68 131.20 2ysx s LEU 52 Ca -0.07 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 2ysx s LEU 52 Cb -0.10 -2.14 -0.00 0.00 0.50 0.00 0.00 46.19 44.45 2ysx s LEU 52 CO -0.19 -0.22 -0.02 0.00 -1.32 0.00 0.00 176.35 174.60 2ysx n TYR 53 N 5.10 0.00 -3.62 5.38 9.36 -1.24 -3.08 117.16 129.06 2ysx n TYR 53 Ca -0.13 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.82 2ysx n TYR 53 Cb 0.50 -0.03 -0.10 0.00 -0.63 0.00 0.00 39.34 39.08 2ysx n TYR 53 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2ysx n ARG 54 N -3.00 2.15 -3.41 2.98 5.12 -1.26 -4.57 116.66 114.66 2ysx n ARG 54 Ca -0.01 -4.53 -0.23 0.00 -1.93 0.00 0.00 57.85 51.14 2ysx n ARG 54 Cb 0.03 -2.23 -0.01 0.00 -1.16 0.00 0.00 32.46 29.09 2ysx n ARG 54 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2ysx n ASN 55 N 1.37 -3.34 -3.65 0.55 5.15 -1.26 -4.92 115.26 109.16 2ysx n ASN 55 Ca 0.25 -0.41 -0.14 0.00 -0.60 0.00 0.00 54.58 53.69 2ysx n ASN 55 Cb 0.39 -2.79 -0.13 0.00 -0.53 0.00 0.00 39.78 36.72 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 2.42 4.38 -0.78 0.00 1.01 -1.26 -3.62 120.40 122.55 2ysx s VAL 57 Ca 0.02 1.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.98 2ysx s VAL 57 Cb -0.12 -4.49 0.10 0.00 0.00 0.00 0.00 36.38 31.87 2ysx s VAL 57 CO -0.09 -0.80 1.03 -0.31 0.00 0.00 0.00 175.10 174.93 2ysx s TYR 58 N 3.99 2.90 -0.21 5.22 1.51 0.10 -4.82 117.35 126.03 2ysx s TYR 58 Ca 0.43 -0.97 -0.28 0.00 -1.01 0.00 0.00 57.07 55.24 2ysx s TYR 58 Cb -0.09 -4.28 0.00 0.00 -0.11 0.00 0.00 41.96 37.48 2ysx s TYR 58 CO 0.26 -1.56 0.98 0.99 -1.11 0.00 0.00 175.55 175.11 2ysx s THR 59 N 3.35 4.74 -0.39 -0.71 2.01 -1.26 -2.25 115.64 121.14 2ysx s THR 59 Ca 0.27 1.91 0.00 0.00 0.31 0.00 0.00 61.69 64.18 2ysx s THR 59 Cb -0.12 -4.26 0.11 0.00 0.01 0.00 0.00 72.50 68.24 2ysx s THR 59 CO 0.00 -0.12 0.14 -0.31 -0.69 0.00 0.00 174.62 173.65 2ysx s TYR 60 N 2.89 3.65 0.32 4.92 2.02 0.11 -4.91 117.35 126.35 2ysx s TYR 60 Ca 0.42 -2.71 -0.29 0.00 -0.37 0.00 0.00 57.07 54.12 2ysx s TYR 60 Cb -0.16 -3.08 -0.10 0.00 -0.40 0.00 0.00 41.96 38.22 2ysx s TYR 60 CO 0.08 -0.95 1.34 -0.98 -1.57 0.00 0.00 175.55 173.47 2ysx s ARG 61 N 0.96 4.32 -0.30 -0.62 1.70 -1.26 -0.32 118.95 123.43 2ysx s ARG 61 Ca 0.10 2.25 -0.01 0.00 -0.47 0.00 0.00 55.73 57.60 2ysx s ARG 61 Cb -0.21 -3.07 0.06 0.00 -0.57 0.00 0.00 34.95 31.15 2ysx s ARG 61 CO -0.06 -0.25 -0.01 0.42 -1.08 0.00 0.00 175.30 174.32 2ysx s ILE 62 N -0.90 2.79 -0.01 4.99 1.09 0.60 -2.91 121.20 126.85 2ysx s ILE 62 Ca 0.51 -1.53 -0.06 0.00 -1.10 0.00 0.00 60.65 58.47 2ysx s ILE 62 Cb -0.40 -2.66 -0.04 0.00 -1.06 0.00 0.00 42.46 38.30 2ysx s ILE 62 CO 0.51 -0.15 0.23 -0.76 -0.10 0.00 0.00 174.94 174.68 2ysx s LEU 63 N 1.19 4.37 0.78 2.97 2.01 -1.23 -1.51 118.68 127.28 2ysx s LEU 63 Ca -0.04 0.49 -0.11 0.00 0.01 0.00 0.00 54.13 54.48 2ysx s LEU 63 Cb -0.20 -2.59 0.06 0.00 0.01 0.00 0.00 46.19 43.47 2ysx s LEU 63 CO -0.02 0.27 1.09 -2.16 1.01 0.00 0.00 176.35 176.54 2ysx s PRO 64 N -1.73 2.19 0.55 1.29 0.04 -1.26 -3.24 135.00 132.84 2ysx s PRO 64 Ca 0.26 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.48 2ysx s PRO 64 Cb -0.13 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2ysx s PRO 64 CO 0.15 -1.69 0.20 -0.80 0.04 0.00 0.00 177.00 174.91 2ysx s ASN 65 N -3.39 4.38 0.27 6.66 -0.87 -0.18 -4.86 114.94 116.95 2ysx s ASN 65 Ca 0.61 -1.52 -0.00 0.00 -1.57 0.00 0.00 52.86 50.38 2ysx s ASN 65 Cb -0.17 0.64 0.60 0.00 -0.02 0.00 0.00 41.25 42.30 2ysx s ASN 65 CO 0.56 -1.05 1.70 -0.33 -2.57 0.00 0.00 177.10 175.41 2ysx h GLU 66 N 0.99 0.38 -1.19 -0.60 5.08 -1.98 0.35 114.58 117.60 2ysx h GLU 66 Ca -0.40 -0.02 -0.35 0.00 -1.00 0.00 0.00 59.36 57.59 2ysx h GLU 66 Cb 1.32 -0.08 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 2ysx h GLU 66 CO 0.65 0.25 0.45 -0.25 -1.00 0.00 0.00 179.01 179.10 2ysx n ASP 67 N -5.06 4.95 -3.80 1.42 8.00 -1.26 -4.84 116.55 115.97 2ysx n ASP 67 Ca 0.18 -3.07 -0.29 0.00 0.71 0.00 0.00 54.79 52.32 2ysx n ASP 67 Cb 0.55 -0.86 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 2ysx n ASP 67 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2ysx n ASP 68 N -0.21 -3.13 -4.79 -2.24 5.68 0.12 -4.90 116.55 107.08 2ysx n ASP 68 Ca 0.36 -0.68 -0.37 0.00 -0.50 0.00 0.00 54.79 53.60 2ysx n ASP 68 Cb 0.92 -2.60 -0.06 0.00 -1.14 0.00 0.00 41.12 38.23 2ysx n ASP 68 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2ysx s LYS 69 N -6.46 4.02 -0.50 0.11 -0.14 -1.25 -4.58 119.74 110.93 2ysx s LYS 69 Ca 0.57 0.23 -0.25 0.00 -1.36 0.00 0.00 55.97 55.15 2ysx s LYS 69 Cb -0.31 -3.31 0.03 0.00 -1.68 0.00 0.00 37.83 32.56 2ysx s LYS 69 CO 0.70 0.48 0.95 -0.06 -0.76 0.00 0.00 175.35 176.66 2ysx s PHE 70 N -0.33 2.85 -0.13 3.18 0.40 0.85 -1.01 117.98 123.80 2ysx s PHE 70 Ca 0.20 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.80 2ysx s PHE 70 Cb -0.15 -4.05 0.01 0.00 0.51 0.00 0.00 43.02 39.35 2ysx s PHE 70 CO 0.08 -1.22 -0.18 0.95 0.70 0.00 0.00 175.22 175.55 2ysx s THR 71 N 3.91 1.74 0.26 0.64 -4.23 -1.20 -3.47 115.64 113.29 2ysx s THR 71 Ca 0.35 -0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 59.78 2ysx s THR 71 Cb -0.11 -1.57 -0.10 0.00 1.34 0.00 0.00 72.50 72.07 2ysx s THR 71 CO 0.24 0.49 1.32 -0.69 -0.54 0.00 0.00 174.62 175.43 2ysx s VAL 72 N 0.96 2.97 -0.38 2.29 1.01 -1.26 -3.48 120.40 122.51 2ysx s VAL 72 Ca -0.06 0.87 -0.14 0.00 0.00 0.00 0.00 61.98 62.65 2ysx s VAL 72 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2ysx s VAL 72 CO -0.03 0.16 0.28 -1.10 0.00 0.00 0.00 175.10 174.41 2ysx s GLN 73 N -0.81 3.20 0.21 2.72 -1.52 -1.14 -5.01 119.66 117.31 2ysx s GLN 73 Ca 0.54 -0.85 0.04 0.00 -1.95 0.00 0.00 55.36 53.14 2ysx s GLN 73 Cb -0.38 -3.90 -0.02 0.00 -0.22 0.00 0.00 33.01 28.49 2ysx s GLN 73 CO 0.44 -0.62 0.16 0.00 -0.25 0.00 0.00 175.29 175.02 2ysx n ALA 74 N 5.14 0.42 -2.18 6.09 0.00 -1.26 -4.67 120.51 124.05 2ysx n ALA 74 Ca -0.12 -1.19 -0.19 0.00 0.00 0.00 0.00 53.44 51.95 2ysx n ALA 74 Cb 0.48 0.93 0.01 0.00 0.00 0.00 0.00 19.45 20.87 2ysx n ALA 74 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ysx s SER 75 N -2.42 5.71 -1.31 0.00 0.01 -1.26 -4.49 113.70 109.93 2ysx s SER 75 Ca 0.22 -0.22 -0.02 0.00 1.31 0.00 0.00 55.95 57.23 2ysx s SER 75 Cb 0.01 -0.95 0.02 0.00 0.21 0.00 0.00 66.02 65.32 2ysx s SER 75 CO 0.16 -0.71 0.06 1.21 0.41 0.00 0.00 173.24 174.36 2ysx n GLU 76 N -1.88 -0.93 -2.96 12.44 2.13 -1.26 -4.84 120.64 123.34 2ysx n GLU 76 Ca 0.05 0.08 -0.41 0.00 0.66 0.00 0.00 57.16 57.54 2ysx n GLU 76 Cb 0.59 -3.07 -0.05 0.00 0.27 0.00 0.00 31.44 29.18 2ysx n GLU 76 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2ysx s GLY 77 N -4.00 2.10 -0.14 8.31 0.00 -1.26 -4.91 107.32 107.42 2ysx s GLY 77 Ca 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.76 2ysx s GLY 77 CO 0.83 1.55 -0.13 1.55 0.00 0.00 0.00 173.10 176.91 2ysx n VAL 78 N 4.69 0.79 -2.37 1.40 3.14 -1.26 -4.91 118.33 119.82 2ysx n VAL 78 Ca 0.03 -0.30 -0.41 0.00 -2.96 0.00 0.00 64.34 60.70 2ysx n VAL 78 Cb 0.49 -1.02 -0.03 0.00 -1.06 0.00 0.00 33.84 32.22 2ysx n VAL 78 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2ysx s SER 79 N -5.38 5.98 -0.58 6.55 0.01 -1.26 -4.96 113.70 114.06 2ysx s SER 79 Ca -0.19 0.12 -0.20 0.00 1.31 0.00 0.00 55.95 57.00 2ysx s SER 79 Cb 0.05 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.82 2ysx s SER 79 CO 0.32 -1.86 0.73 -0.32 0.41 0.00 0.00 173.24 172.51 2ysx s MET 80 N 5.84 3.07 0.19 12.44 1.75 -1.26 -5.02 119.30 136.31 2ysx s MET 80 Ca 0.51 -1.14 0.03 0.00 -1.25 0.00 0.00 55.69 53.84 2ysx s MET 80 Cb -0.11 -4.22 -0.05 0.00 2.84 0.00 0.00 34.83 33.29 2ysx s MET 80 CO 0.22 -1.51 -0.03 1.03 -0.65 0.00 0.00 175.02 174.07 2ysx s ARG 81 N 2.89 1.19 -0.09 4.11 1.81 -1.26 -5.16 118.95 122.45 2ysx s ARG 81 Ca 0.14 -1.57 -0.04 0.00 -1.72 0.00 0.00 55.73 52.54 2ysx s ARG 81 Cb -0.22 -0.54 0.05 0.00 -0.45 0.00 0.00 34.95 33.79 2ysx s ARG 81 CO 0.08 -0.05 0.19 -0.06 -0.68 0.00 0.00 175.30 174.79 2ysx s PHE 82 N -3.44 -0.25 -0.11 -0.53 0.40 -1.26 -4.81 117.98 107.97 2ysx s PHE 82 Ca 0.23 0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 57.21 2ysx s PHE 82 Cb 0.05 -0.07 0.03 0.00 0.51 0.00 0.00 43.02 43.54 2ysx s PHE 82 CO 0.05 -0.22 -0.07 -0.06 0.70 0.00 0.00 175.22 175.62 2ysx s PHE 83 N 1.51 1.41 0.47 0.36 0.40 -1.23 -4.93 117.98 115.98 2ysx s PHE 83 Ca -0.06 -0.71 0.29 0.00 -0.60 0.00 0.00 56.93 55.85 2ysx s PHE 83 Cb -0.11 -1.19 1.61 0.00 0.51 0.00 0.00 43.02 43.83 2ysx s PHE 83 CO -0.07 -0.50 2.14 0.00 0.70 0.00 0.00 175.22 177.49 2ysx h THR 84 N 6.21 0.52 -3.88 0.64 1.03 -1.86 0.24 112.91 115.81 2ysx h THR 84 Ca -0.28 -0.35 -0.69 0.00 -0.01 0.00 0.00 66.41 65.08 2ysx h THR 84 Cb 1.13 1.23 -0.21 0.00 -1.07 0.00 0.00 68.15 69.22 2ysx h THR 84 CO 0.39 0.07 -0.74 -0.54 -0.01 0.00 0.00 175.52 174.69 2ysx s LYS 85 N -4.32 2.57 0.16 0.00 1.02 -1.26 -4.54 119.74 113.37 2ysx s LYS 85 Ca -0.03 -0.66 -0.13 0.00 0.02 0.00 0.00 55.97 55.17 2ysx s LYS 85 Cb 0.14 -2.45 0.05 0.00 -0.52 0.00 0.00 37.83 35.05 2ysx s LYS 85 CO 0.56 0.63 1.70 -0.07 -0.92 0.00 0.00 175.35 177.26 2ysx h LEU 86 N 5.22 0.76 -1.33 3.17 -0.00 -1.94 -2.53 115.31 118.66 2ysx h LEU 86 Ca -0.47 -0.19 0.10 0.00 -0.00 0.00 0.00 57.88 57.31 2ysx h LEU 86 Cb 1.16 -0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 41.57 2ysx h LEU 86 CO 0.51 0.74 0.53 -2.24 -0.00 0.00 0.00 178.44 177.98 2ysx h ASP 87 N 0.74 0.68 1.06 -0.43 3.04 -1.96 0.17 116.42 119.71 2ysx h ASP 87 Ca 0.18 0.02 -0.06 0.00 -3.24 0.00 0.00 57.03 53.92 2ysx h ASP 87 Cb 0.24 -0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 38.39 2ysx h ASP 87 CO -0.01 0.41 -0.28 1.56 -2.04 0.00 0.00 179.24 178.87 2ysx h GLN 88 N 0.75 0.00 0.13 4.15 1.08 -1.86 -1.98 115.11 117.38 2ysx h GLN 88 Ca 0.37 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 57.27 2ysx h GLN 88 Cb 0.44 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2ysx h GLN 88 CO -0.14 0.28 -1.52 1.25 -0.95 0.00 0.00 178.83 177.75 2ysx h LEU 89 N 0.00 0.42 0.28 1.46 6.46 -0.45 -3.35 115.31 120.13 2ysx h LEU 89 Ca -0.00 -0.56 -0.01 0.00 -0.12 0.00 0.00 57.88 57.18 2ysx h LEU 89 Cb 0.89 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2ysx h LEU 89 CO 0.04 1.47 -0.13 0.40 -0.62 0.00 0.00 178.44 179.59 2ysx h ILE 90 N 0.07 0.00 -1.54 4.05 1.08 -0.75 -2.57 117.51 117.86 2ysx h ILE 90 Ca -0.24 -0.55 0.45 0.00 -0.39 0.00 0.00 64.86 64.13 2ysx h ILE 90 Cb 2.02 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.71 2ysx h ILE 90 CO 0.17 0.00 1.18 1.21 -0.69 0.00 0.00 178.15 180.02 2ysx n GLU 91 N -4.54 0.00 -0.05 2.37 2.13 -0.75 0.15 120.64 119.95 2ysx n GLU 91 Ca -0.05 0.91 -0.18 0.00 0.66 0.00 0.00 57.16 58.50 2ysx n GLU 91 Cb 0.15 -2.13 -0.13 0.00 0.27 0.00 0.00 31.44 29.60 2ysx n GLU 91 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 2ysx h PHE 92 N 0.00 0.13 0.00 4.31 3.57 -1.68 -3.33 116.94 119.94 2ysx h PHE 92 Ca 0.73 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 62.13 2ysx h PHE 92 Cb 3.08 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 41.82 2ysx h PHE 92 CO 0.00 1.27 -0.04 1.88 -2.23 0.00 0.00 178.31 179.20 2ysx h TYR 93 N -0.82 0.00 -1.05 0.41 -1.99 0.19 -2.39 116.97 111.33 2ysx h TYR 93 Ca -0.17 0.00 0.27 0.00 2.00 0.00 0.00 58.73 60.83 2ysx h TYR 93 Cb 1.29 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.93 2ysx h TYR 93 CO 0.19 0.04 0.69 0.87 -0.00 0.00 0.00 178.16 179.94 2ysx h LYS 94 N 0.00 0.32 -7.31 4.88 1.57 -0.84 -3.38 116.57 111.82 2ysx h LYS 94 Ca -0.00 -0.02 -0.47 0.00 -1.87 0.00 0.00 60.65 58.29 2ysx h LYS 94 Cb 0.10 -0.07 0.16 0.00 0.08 0.00 0.00 32.23 32.50 2ysx h LYS 94 CO 0.00 0.21 0.20 0.15 -0.57 0.00 0.00 179.45 179.45 2ysx s LYS 95 N -5.41 0.74 0.51 3.15 3.01 -0.90 -4.05 119.74 116.79 2ysx s LYS 95 Ca -0.08 0.80 -0.21 0.00 -1.01 0.00 0.00 55.97 55.47 2ysx s LYS 95 Cb 0.25 -1.75 -0.06 0.00 -1.01 0.00 0.00 37.83 35.25 2ysx s LYS 95 CO 0.80 -2.59 1.18 -1.83 0.51 0.00 0.00 175.35 173.42 2ysx s GLU 96 N -4.86 3.50 -0.30 1.68 1.03 -1.26 -4.69 118.70 113.80 2ysx s GLU 96 Ca 0.65 1.79 -0.16 0.00 0.03 0.00 0.00 54.97 57.27 2ysx s GLU 96 Cb -0.19 -2.23 0.18 0.00 -0.80 0.00 0.00 34.13 31.09 2ysx s GLU 96 CO 0.58 -0.77 1.14 1.21 -1.33 0.00 0.00 175.26 176.09 2ysx s ASN 97 N -1.45 -0.26 0.00 0.83 3.04 -1.26 -5.03 114.94 110.82 2ysx s ASN 97 Ca 0.68 0.40 -0.04 0.00 0.04 0.00 0.00 52.86 53.94 2ysx s ASN 97 Cb -0.29 1.13 -0.18 0.00 -1.54 0.00 0.00 41.25 40.37 2ysx s ASN 97 CO 0.34 -0.06 2.77 1.15 -3.04 0.00 0.00 177.10 178.26 2ysx n MET 98 N 3.54 1.47 0.01 0.43 0.00 -1.26 -4.01 117.12 117.29 2ysx n MET 98 Ca -0.16 -0.67 -0.01 0.00 0.00 0.00 0.00 57.70 56.85 2ysx n MET 98 Cb 0.56 -1.77 -0.00 0.00 0.00 0.00 0.00 33.22 32.01 2ysx n MET 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ysx n GLY 99 N 2.45 -0.08 2.29 3.17 0.00 -1.26 -5.08 105.19 106.67 2ysx n GLY 99 Ca 0.29 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.06 0.00 0.19 0.99 4.77 -1.26 -4.95 117.00 113.68 2ysx n LEU 100 Ca -0.01 -0.83 0.03 0.00 -0.03 0.00 0.00 56.01 55.17 2ysx n LEU 100 Cb 0.05 -0.62 0.36 0.00 -2.33 0.00 0.00 43.42 40.88 2ysx n LEU 100 CO 0.02 -1.32 0.71 1.62 -1.33 0.00 0.00 177.39 177.09 2ysx h VAL 101 N -1.77 1.22 -1.26 4.08 3.04 -1.95 -3.46 116.25 116.16 2ysx h VAL 101 Ca -0.26 -1.34 0.15 0.00 -1.01 0.00 0.00 66.70 64.23 2ysx h VAL 101 Cb 0.74 1.74 -0.30 0.00 -2.01 0.00 0.00 31.29 31.45 2ysx h VAL 101 CO 0.18 0.38 0.73 0.28 -1.01 0.00 0.00 177.57 178.13 2ysx s THR 102 N -4.08 0.00 0.09 3.17 -1.32 -1.26 -4.99 115.64 107.24 2ysx s THR 102 Ca -0.02 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.15 2ysx s THR 102 Cb 0.14 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 70.03 2ysx s THR 102 CO 0.72 0.00 1.88 -1.38 -2.21 0.00 0.00 174.62 173.63 2ysx s HIS 103 N 0.06 1.81 -0.32 9.09 -3.43 -1.26 -4.82 115.29 116.43 2ysx s HIS 103 Ca 0.06 -0.19 -0.41 0.00 -0.80 0.00 0.00 55.06 53.72 2ysx s HIS 103 Cb -0.05 -4.21 -0.18 0.00 -1.43 0.00 0.00 32.58 26.72 2ysx s HIS 103 CO -0.12 -5.14 1.30 1.28 -2.00 0.00 0.00 174.74 170.06 2ysx n LEU 104 N 6.39 0.78 -0.02 5.38 4.77 -1.26 -4.87 117.00 128.17 2ysx n LEU 104 Ca 0.19 1.06 -0.02 0.00 -0.03 0.00 0.00 56.01 57.21 2ysx n LEU 104 Cb 0.39 -0.80 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2ysx n LEU 104 CO 0.66 -1.03 -0.15 0.00 -1.33 0.00 0.00 177.39 175.54 2ysx n GLN 105 N 2.96 0.12 -4.61 3.23 6.02 -1.02 -4.84 117.38 119.24 2ysx n GLN 105 Ca 0.25 0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.96 2ysx n GLN 105 Cb -0.02 -0.60 -0.16 0.00 1.02 0.00 0.00 30.24 30.47 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 -1.53 2.66 -0.66 1.08 2.02 -0.74 -5.06 117.35 115.12 2ysx s TYR 106 Ca -0.06 -1.37 -0.26 0.00 -0.37 0.00 0.00 57.07 55.01 2ysx s TYR 106 Cb 0.01 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 2ysx s TYR 106 CO 0.10 -0.63 1.88 -1.25 -1.57 0.00 0.00 175.55 174.07 2ysx s PRO 107 N 0.87 2.61 -0.70 -1.71 0.04 -1.26 -3.63 135.00 131.22 2ysx s PRO 107 Ca -0.06 0.46 -0.36 0.00 0.04 0.00 0.00 61.00 61.09 2ysx s PRO 107 Cb -0.15 -4.50 -0.19 0.00 0.04 0.00 0.00 34.50 29.70 2ysx s PRO 107 CO -0.03 -2.84 2.41 0.28 0.04 0.00 0.00 177.00 176.85 2ysx n VAL 108 N 7.32 0.02 -2.26 -0.36 0.31 -0.90 -4.67 118.33 117.79 2ysx n VAL 108 Ca 0.24 -0.09 -0.36 0.00 -0.01 0.00 0.00 64.34 64.12 2ysx n VAL 108 Cb 0.51 -0.80 -0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 7.49 3.47 0.58 5.55 0.04 -1.26 -4.22 135.00 146.65 2ysx s PRO 109 Ca 1.24 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 63.86 2ysx s PRO 109 Cb -1.22 -2.12 0.13 0.00 0.04 0.00 0.00 34.50 31.32 2ysx s PRO 109 CO 0.54 -0.76 0.28 1.28 0.04 0.00 0.00 177.00 178.38 2ysx n LEU 110 N -1.06 0.00 -3.32 -3.56 4.77 -1.26 -4.95 117.00 107.61 2ysx n LEU 110 Ca 0.10 -0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 55.53 2ysx n LEU 110 Cb 0.50 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 2ysx n LEU 110 CO 0.44 -1.95 0.03 -1.84 -1.33 0.00 0.00 177.39 172.74 2ysx n GLU 111 N -1.93 2.35 -4.12 3.23 0.00 -1.26 -5.08 120.64 113.83 2ysx n GLU 111 Ca 0.04 -4.48 -0.30 0.00 0.00 0.00 0.00 57.16 52.43 2ysx n GLU 111 Cb 0.20 -2.10 -0.07 0.00 0.00 0.00 0.00 31.44 29.46 2ysx n GLU 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2ysx s GLU 112 N -2.44 2.62 0.54 3.44 -1.05 -1.26 -5.13 118.70 115.41 2ysx s GLU 112 Ca 0.40 -0.84 0.07 0.00 -0.15 0.00 0.00 54.97 54.45 2ysx s GLU 112 Cb 0.17 -2.56 0.07 0.00 -0.44 0.00 0.00 34.13 31.37 2ysx s GLU 112 CO -0.04 0.53 0.54 -0.85 0.95 0.00 0.00 175.26 176.39 2ysx n GLU 113 N 0.41 0.68 -1.54 -4.83 0.28 -1.26 -4.97 120.64 109.40 2ysx n GLU 113 Ca -0.10 -3.17 -0.16 0.00 -0.16 0.00 0.00 57.16 53.57 2ysx n GLU 113 Cb 0.52 0.12 -0.11 0.00 1.43 0.00 0.00 31.44 33.40 2ysx n GLU 113 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2ysx n ASP 114 N -2.05 1.00 -0.03 -1.84 8.00 -1.26 -4.74 116.55 115.64 2ysx n ASP 114 Ca 0.05 -1.21 -0.13 0.00 0.71 0.00 0.00 54.79 54.20 2ysx n ASP 114 Cb 0.59 -1.38 -0.11 0.00 -0.02 0.00 0.00 41.12 40.21 2ysx n ASP 114 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2ysx h THR 115 N 7.53 1.50 -3.51 -3.53 2.02 -2.05 -3.43 112.91 111.45 2ysx h THR 115 Ca 0.00 -1.53 -0.60 0.00 0.77 0.00 0.00 66.41 65.04 2ysx h THR 115 Cb 1.04 2.51 -0.12 0.00 -1.74 0.00 0.00 68.15 69.84 2ysx h THR 115 CO 1.17 0.40 -0.16 -0.83 0.37 0.00 0.00 175.52 176.47 2ysx s GLY 116 N -3.53 2.05 0.12 2.16 0.00 -1.26 -5.07 107.32 101.79 2ysx s GLY 116 Ca -0.16 -0.53 0.07 0.00 0.00 0.00 0.00 44.72 44.09 2ysx s GLY 116 CO 0.69 0.92 -0.17 0.51 0.00 0.00 0.00 173.10 175.05 2ysx s ASP 117 N 1.16 2.21 0.78 1.64 -4.77 -1.26 -5.12 116.67 111.31 2ysx s ASP 117 Ca 0.20 -0.76 -0.16 0.00 -3.30 0.00 0.00 52.55 48.52 2ysx s ASP 117 Cb -0.15 -0.10 -0.09 0.00 -1.09 0.00 0.00 42.92 41.49 2ysx s ASP 117 CO 0.09 -0.06 -0.02 -0.90 0.70 0.00 0.00 175.17 174.97 2ysx n ASP 118 N 0.74 -3.27 0.00 2.11 5.75 -1.26 -5.29 116.55 115.33 2ysx n ASP 118 Ca -0.17 0.45 0.08 0.00 -0.01 0.00 0.00 54.79 55.14 2ysx n ASP 118 Cb 0.56 -1.00 0.47 0.00 -1.03 0.00 0.00 41.12 40.11 2ysx n ASP 118 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28