#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 4.91 -0.49 1.61 0.01 -1.26 -5.10 113.70 113.38 2ysx s SER 2 Ca 0.00 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 56.56 2ysx s SER 2 Cb 0.00 -0.71 0.16 0.00 0.21 0.00 0.00 66.02 65.67 2ysx s SER 2 CO 0.00 -0.45 0.34 -0.44 0.41 0.00 0.00 173.24 173.10 2ysx s SER 3 N -3.98 3.10 -0.44 2.44 0.01 -1.26 -5.07 113.70 108.50 2ysx s SER 3 Ca 0.42 -3.07 -0.10 0.00 1.31 0.00 0.00 55.95 54.51 2ysx s SER 3 Cb -0.03 -0.93 0.09 0.00 0.21 0.00 0.00 66.02 65.37 2ysx s SER 3 CO 0.25 -0.19 0.30 -0.83 0.41 0.00 0.00 173.24 173.19 2ysx s GLY 4 N -0.17 2.00 -0.04 3.44 0.00 -1.26 -5.05 107.32 106.25 2ysx s GLY 4 Ca 0.25 -2.26 -0.11 0.00 0.00 0.00 0.00 44.72 42.60 2ysx s GLY 4 CO -0.11 1.02 0.25 -1.35 0.00 0.00 0.00 173.10 172.91 2ysx s SER 5 N 2.36 -0.16 -0.87 1.64 1.04 -1.26 -5.11 113.70 111.34 2ysx s SER 5 Ca 0.04 0.16 -0.12 0.00 0.48 0.00 0.00 55.95 56.51 2ysx s SER 5 Cb -0.24 0.36 0.23 0.00 0.10 0.00 0.00 66.02 66.47 2ysx s SER 5 CO 0.02 -0.31 0.81 -0.55 0.98 0.00 0.00 173.24 174.19 2ysx s SER 6 N -0.84 6.74 0.00 7.02 0.15 -1.26 -4.70 113.70 120.81 2ysx s SER 6 Ca -0.09 -2.90 0.00 0.00 0.70 0.00 0.00 55.95 53.66 2ysx s SER 6 Cb -0.05 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2ysx s SER 6 CO 0.02 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2ysx n GLY 7 N 3.65 0.78 3.80 9.45 0.00 -1.26 -5.14 105.19 116.48 2ysx n GLY 7 Ca 0.16 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.23 2.95 0.36 1.61 0.00 -1.26 -5.11 119.30 117.63 2ysx s MET 8 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 55.69 54.81 2ysx s MET 8 Cb 0.00 -2.75 -0.10 0.00 0.00 0.00 0.00 34.83 31.98 2ysx s MET 8 CO 0.00 0.56 0.85 0.14 0.00 0.00 0.00 175.02 176.57 2ysx s VAL 9 N -1.46 4.50 1.16 5.16 -7.23 -1.26 -5.07 120.40 116.21 2ysx s VAL 9 Ca 0.30 1.29 -0.18 0.00 -1.81 0.00 0.00 61.98 61.58 2ysx s VAL 9 Cb -0.12 -3.65 0.27 0.00 0.56 0.00 0.00 36.38 33.43 2ysx s VAL 9 CO 0.23 -0.19 1.11 -2.16 -0.31 0.00 0.00 175.10 173.77 2ysx s PRO 10 N -2.93 -0.88 0.00 4.82 0.04 -1.26 -4.97 135.00 129.82 2ysx s PRO 10 Ca 0.57 0.06 0.23 0.00 0.04 0.00 0.00 61.00 61.89 2ysx s PRO 10 Cb -0.11 -1.63 0.46 0.00 0.04 0.00 0.00 34.50 33.27 2ysx s PRO 10 CO 0.16 -3.51 1.42 0.00 0.04 0.00 0.00 177.00 175.11 2ysx n TRP 12 N 1.33 0.49 -3.40 0.00 4.27 -1.26 -3.51 117.44 115.35 2ysx n TRP 12 Ca 0.19 -1.16 -0.15 0.00 -3.89 0.00 0.00 57.50 52.49 2ysx n TRP 12 Cb 0.57 -0.28 -0.10 0.00 -1.36 0.00 0.00 31.31 30.14 2ysx n TRP 12 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 2ysx s ASN 13 N -2.59 1.10 -0.13 -0.67 3.84 -1.26 0.18 114.94 115.41 2ysx s ASN 13 Ca 0.38 -0.33 -0.13 0.00 0.21 0.00 0.00 52.86 53.00 2ysx s ASN 13 Cb 0.34 0.69 -0.11 0.00 -0.55 0.00 0.00 41.25 41.62 2ysx s ASN 13 CO 0.03 -0.35 0.25 0.45 -2.79 0.00 0.00 177.10 174.69 2ysx h HIS 14 N 8.25 0.00 0.00 0.43 3.86 -1.82 -3.44 115.15 122.42 2ysx h HIS 14 Ca -0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2ysx h HIS 14 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2ysx h HIS 14 CO 0.20 0.48 0.00 0.41 0.86 0.00 0.00 177.93 179.88 2ysx n GLY 15 N 1.67 0.40 3.56 2.45 0.00 -1.26 -4.99 105.19 107.03 2ysx n GLY 15 Ca -0.07 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 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 6.02 0.17 1.61 2.20 -1.26 -1.30 114.94 118.38 2ysx s ASN 16 Ca 0.00 -1.21 0.10 0.00 -0.94 0.00 0.00 52.86 50.81 2ysx s ASN 16 Cb 0.00 -2.57 -0.04 0.00 -2.00 0.00 0.00 41.25 36.64 2ysx s ASN 16 CO 0.00 -1.95 -0.22 0.27 -2.94 0.00 0.00 177.10 172.26 2ysx s ILE 17 N 6.79 2.11 0.28 0.54 -4.36 -1.26 -5.02 121.20 120.29 2ysx s ILE 17 Ca 0.55 -1.92 -0.10 0.00 -0.26 0.00 0.00 60.65 58.91 2ysx s ILE 17 Cb -0.02 -1.97 -0.07 0.00 1.25 0.00 0.00 42.46 41.65 2ysx s ILE 17 CO -0.06 -0.16 0.62 0.28 0.24 0.00 0.00 174.94 175.87 2ysx s THR 18 N -1.69 4.87 0.16 8.37 -1.32 -1.26 -4.90 115.64 119.86 2ysx s THR 18 Ca 0.17 0.54 -0.25 0.00 -1.21 0.00 0.00 61.69 60.95 2ysx s THR 18 Cb -0.08 -3.65 0.01 0.00 -1.51 0.00 0.00 72.50 67.27 2ysx s THR 18 CO 0.08 -0.20 1.38 -1.14 -2.21 0.00 0.00 174.62 172.53 2ysx n ARG 19 N -0.47 -0.35 -0.26 7.08 0.63 -1.26 0.22 116.66 122.25 2ysx n ARG 19 Ca 0.01 1.36 -0.00 0.00 -0.92 0.00 0.00 57.85 58.30 2ysx n ARG 19 Cb 0.53 -2.00 0.07 0.00 0.45 0.00 0.00 32.46 31.50 2ysx n ARG 19 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2ysx h SER 20 N 0.00 -0.89 -0.72 6.15 0.87 -1.98 0.68 113.55 117.65 2ysx h SER 20 Ca 0.19 0.24 0.05 0.00 -1.23 0.00 0.00 61.79 61.04 2ysx h SER 20 Cb 0.41 0.53 -0.04 0.00 -0.44 0.00 0.00 62.40 62.86 2ysx h SER 20 CO -0.85 -0.27 0.47 0.50 -0.53 0.00 0.00 176.83 176.15 2ysx h LYS 21 N -0.04 0.77 0.31 2.24 1.63 -0.60 0.31 116.57 121.20 2ysx h LYS 21 Ca 0.34 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.07 2ysx h LYS 21 Cb 0.57 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2ysx h LYS 21 CO -0.79 0.51 -0.15 0.00 -3.45 0.00 0.00 179.45 175.57 2ysx h ALA 22 N 1.60 -0.42 -0.82 5.00 0.00 0.13 -2.95 119.26 121.80 2ysx h ALA 22 Ca 0.30 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2ysx h ALA 22 Cb 0.18 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2ysx h ALA 22 CO -0.10 -0.47 0.54 0.93 0.00 0.00 0.00 179.25 180.16 2ysx h GLU 23 N -0.95 1.00 -0.37 0.00 5.08 -0.37 -2.41 114.58 116.56 2ysx h GLU 23 Ca -0.04 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2ysx h GLU 23 Cb 0.51 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2ysx h GLU 23 CO 0.07 0.66 0.09 1.49 -1.00 0.00 0.00 179.01 180.32 2ysx h GLU 24 N 1.03 0.21 0.35 2.33 4.57 -0.43 0.51 114.58 123.16 2ysx h GLU 24 Ca 0.32 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.48 2ysx h GLU 24 Cb 0.01 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2ysx h GLU 24 CO -0.09 0.14 -0.21 -0.07 -1.18 0.00 0.00 179.01 177.60 2ysx h LEU 25 N 0.22 -0.52 -0.53 1.64 3.38 -1.25 -2.12 115.31 116.12 2ysx h LEU 25 Ca 0.18 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.28 2ysx h LEU 25 Cb 0.20 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.99 2ysx h LEU 25 CO -0.22 -0.32 -0.29 -0.07 0.09 0.00 0.00 178.44 177.62 2ysx h LEU 26 N -0.52 -1.01 -0.34 1.67 3.38 -1.45 -2.23 115.31 114.81 2ysx h LEU 26 Ca -0.05 0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.17 2ysx h LEU 26 Cb 0.41 0.51 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 2ysx h LEU 26 CO 0.05 -0.29 -0.38 0.28 0.09 0.00 0.00 178.44 178.20 2ysx h SER 27 N -0.16 -1.29 -0.58 -0.43 0.02 -0.85 -1.04 113.55 109.22 2ysx h SER 27 Ca 0.23 0.17 0.05 0.00 -0.84 0.00 0.00 61.79 61.40 2ysx h SER 27 Cb 0.53 0.54 -0.07 0.00 0.14 0.00 0.00 62.40 63.53 2ysx h SER 27 CO -0.63 -0.25 -0.34 0.54 -1.14 0.00 0.00 176.83 175.01 2ysx n ARG 28 N -4.50 -0.25 -0.04 3.45 1.74 -0.80 -0.89 116.66 115.36 2ysx n ARG 28 Ca -0.02 1.17 -0.13 0.00 -0.77 0.00 0.00 57.85 58.11 2ysx n ARG 28 Cb 0.22 -1.73 -0.07 0.00 -1.02 0.00 0.00 32.46 29.85 2ysx n ARG 28 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2ysx h THR 29 N 0.00 0.08 -4.36 0.55 2.02 -1.24 -3.47 112.91 106.49 2ysx h THR 29 Ca 0.09 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.09 2ysx h THR 29 Cb 0.24 0.08 0.11 0.00 -1.74 0.00 0.00 68.15 66.84 2ysx h THR 29 CO -0.54 0.00 -0.50 0.61 0.37 0.00 0.00 175.52 175.46 2ysx n GLY 30 N -1.43 -0.20 3.05 2.16 0.00 -0.07 -5.06 105.19 103.65 2ysx n GLY 30 Ca -0.04 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.36 0.58 -1.23 1.61 1.02 -1.26 -5.08 119.74 111.02 2ysx s LYS 31 Ca 0.14 -0.62 -0.15 0.00 0.02 0.00 0.00 55.97 55.36 2ysx s LYS 31 Cb -0.02 -0.46 0.15 0.00 -0.52 0.00 0.00 37.83 36.98 2ysx s LYS 31 CO 0.45 0.10 1.51 -0.40 -0.92 0.00 0.00 175.35 176.10 2ysx n ASP 32 N 1.90 5.16 0.00 2.83 5.68 -1.26 -3.64 116.55 127.22 2ysx n ASP 32 Ca -0.19 -2.96 0.00 0.00 -0.50 0.00 0.00 54.79 51.13 2ysx n ASP 32 Cb 0.56 -1.61 0.00 0.00 -1.14 0.00 0.00 41.12 38.92 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 4.39 0.02 3.58 6.12 0.00 -0.98 -4.98 105.19 113.35 2ysx n GLY 33 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 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 0.16 -3.46 1.61 7.64 -1.24 -3.44 113.62 114.89 2ysx n SER 34 Ca 0.00 0.67 -0.12 0.00 1.01 0.00 0.00 58.87 60.43 2ysx n SER 34 Cb 0.00 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 61.81 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 -1.80 -0.50 0.26 1.43 -0.71 -1.20 -2.22 117.98 113.23 2ysx s PHE 35 Ca 0.72 0.42 -0.21 0.00 -1.04 0.00 0.00 56.93 56.82 2ysx s PHE 35 Cb -0.36 0.53 0.03 0.00 -1.21 0.00 0.00 43.02 42.02 2ysx s PHE 35 CO 0.51 -0.73 0.79 -0.48 -1.34 0.00 0.00 175.22 173.97 2ysx s LEU 36 N -2.41 -0.21 0.19 -1.99 0.05 -0.52 -2.18 118.68 111.62 2ysx s LEU 36 Ca 0.00 -0.62 0.10 0.00 0.05 0.00 0.00 54.13 53.66 2ysx s LEU 36 Cb -0.01 2.60 -0.04 0.00 -2.05 0.00 0.00 46.19 46.69 2ysx s LEU 36 CO -0.08 -1.28 -0.20 -0.69 -0.55 0.00 0.00 176.35 173.55 2ysx s VAL 37 N -3.58 2.07 -0.23 1.48 1.01 0.46 -0.10 120.40 121.51 2ysx s VAL 37 Ca 0.12 -2.05 -0.22 0.00 0.00 0.00 0.00 61.98 59.83 2ysx s VAL 37 Cb -0.05 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.38 2ysx s VAL 37 CO 0.06 -0.30 0.63 0.00 0.00 0.00 0.00 175.10 175.49 2ysx s ARG 38 N -2.94 0.74 0.28 2.72 1.70 0.13 -2.44 118.95 119.12 2ysx s ARG 38 Ca 0.20 0.86 -0.29 0.00 -0.47 0.00 0.00 55.73 56.03 2ysx s ARG 38 Cb -0.06 0.36 -0.14 0.00 -0.57 0.00 0.00 34.95 34.54 2ysx s ARG 38 CO 0.09 -0.09 1.08 0.00 -1.08 0.00 0.00 175.30 175.30 2ysx n ALA 39 N 2.70 -0.06 -0.26 7.88 0.00 -0.42 -0.34 120.51 130.02 2ysx n ALA 39 Ca -0.14 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 2ysx n ALA 39 Cb 0.56 -2.06 0.28 0.00 0.00 0.00 0.00 19.45 18.23 2ysx n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ysx n SER 40 N 1.35 -3.98 -4.61 0.00 2.88 -1.00 -4.69 113.62 103.56 2ysx n SER 40 Ca 0.10 -0.80 -0.43 0.00 -1.33 0.00 0.00 58.87 56.41 2ysx n SER 40 Cb 0.31 -1.00 -0.03 0.00 -0.75 0.00 0.00 64.21 62.74 2ysx n SER 40 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2ysx s GLU 41 N -4.90 3.37 -1.33 -1.46 2.56 -1.26 -2.91 118.70 112.77 2ysx s GLU 41 Ca 0.65 2.03 -0.17 0.00 0.00 0.00 0.00 54.97 57.48 2ysx s GLU 41 Cb -0.12 -4.29 0.17 0.00 2.00 0.00 0.00 34.13 31.88 2ysx s GLU 41 CO 0.55 -1.83 0.42 0.43 -0.56 0.00 0.00 175.26 174.27 2ysx n SER 42 N 10.61 -1.42 -3.59 -1.70 7.64 -1.26 -4.85 113.62 119.05 2ysx n SER 42 Ca 0.27 -0.82 -0.13 0.00 1.01 0.00 0.00 58.87 59.20 2ysx n SER 42 Cb 0.45 -1.25 -0.12 0.00 -1.01 0.00 0.00 64.21 62.27 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 -2.69 -0.47 -0.04 0.44 1.01 -1.15 -5.04 121.20 113.27 2ysx s ILE 43 Ca 0.59 0.14 -0.22 0.00 0.00 0.00 0.00 60.65 61.16 2ysx s ILE 43 Cb -0.35 -0.58 -0.28 0.00 0.01 0.00 0.00 42.46 41.27 2ysx s ILE 43 CO 0.73 0.02 0.96 0.28 0.00 0.00 0.00 174.94 176.92 2ysx h SER 44 N 8.26 0.42 -0.97 3.58 0.02 -1.89 -2.66 113.55 120.31 2ysx h SER 44 Ca -0.16 -0.89 0.27 0.00 -0.84 0.00 0.00 61.79 60.17 2ysx h SER 44 Cb 1.13 -0.13 -0.18 0.00 0.14 0.00 0.00 62.40 63.35 2ysx h SER 44 CO 0.18 1.26 0.02 0.54 -1.14 0.00 0.00 176.83 177.69 2ysx n ARG 45 N -4.24 -0.08 -2.59 3.45 3.00 -1.26 -4.45 116.66 110.50 2ysx n ARG 45 Ca -0.12 1.45 -0.24 0.00 -0.01 0.00 0.00 57.85 58.93 2ysx n ARG 45 Cb 0.72 -2.30 0.11 0.00 0.00 0.00 0.00 32.46 30.98 2ysx n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ysx s ALA 46 N -5.96 3.70 0.19 7.54 0.00 -1.25 -4.60 121.76 121.38 2ysx s ALA 46 Ca -0.13 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.10 2ysx s ALA 46 Cb 0.28 -2.00 -0.00 0.00 0.00 0.00 0.00 23.12 21.40 2ysx s ALA 46 CO 0.75 -1.48 0.22 0.66 0.00 0.00 0.00 175.76 175.92 2ysx n TYR 47 N -2.85 -0.75 -3.67 0.00 4.01 -0.53 -3.40 117.16 109.97 2ysx n TYR 47 Ca 0.15 -1.41 -0.08 0.00 -0.16 0.00 0.00 57.90 56.40 2ysx n TYR 47 Cb 0.61 0.24 -0.09 0.00 -0.31 0.00 0.00 39.34 39.79 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 -2.46 -1.27 -0.28 -0.72 0.00 0.54 -0.42 121.76 117.14 2ysx s ALA 48 Ca 0.19 1.67 -0.07 0.00 0.00 0.00 0.00 51.96 53.74 2ysx s ALA 48 Cb 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 2ysx s ALA 48 CO 0.13 -0.62 0.08 -1.17 0.00 0.00 0.00 175.76 174.19 2ysx s LEU 49 N 2.25 3.73 0.05 0.00 2.96 -0.77 0.19 118.68 127.08 2ysx s LEU 49 Ca -0.05 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 2ysx s LEU 49 Cb -0.11 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2ysx s LEU 49 CO -0.14 -0.14 0.25 0.00 -1.32 0.00 0.00 176.35 175.00 2ysx s VAL 51 N -1.44 -0.02 -0.26 0.00 1.01 -0.55 -1.44 120.40 117.70 2ysx s VAL 51 Ca 0.33 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.30 2ysx s VAL 51 Cb -0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2ysx s VAL 51 CO 0.22 0.03 0.11 -0.22 0.00 0.00 0.00 175.10 175.25 2ysx s LEU 52 N 0.65 3.68 0.00 3.92 2.96 -0.94 -0.37 118.68 128.58 2ysx s LEU 52 Ca -0.05 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 2ysx s LEU 52 Cb -0.06 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.63 2ysx s LEU 52 CO -0.03 -0.03 0.00 0.00 -1.32 0.00 0.00 176.35 174.97 2ysx n TYR 53 N 4.88 0.00 -3.47 5.38 9.36 -1.20 -2.32 117.16 129.79 2ysx n TYR 53 Ca -0.15 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.72 2ysx n TYR 53 Cb 0.52 0.09 -0.06 0.00 -0.63 0.00 0.00 39.34 39.26 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 -1.87 2.93 -2.00 2.98 1.74 -1.26 -4.63 116.66 114.55 2ysx n ARG 54 Ca 0.00 -4.55 -0.09 0.00 -0.77 0.00 0.00 57.85 52.44 2ysx n ARG 54 Cb 0.00 -2.39 -0.02 0.00 -1.02 0.00 0.00 32.46 29.04 2ysx n ARG 54 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2ysx n ASN 55 N 1.71 -2.92 -4.22 0.55 5.15 -1.26 -4.90 115.26 109.36 2ysx n ASN 55 Ca 0.25 0.25 -0.13 0.00 -0.60 0.00 0.00 54.58 54.35 2ysx n ASN 55 Cb 0.37 -2.64 -0.10 0.00 -0.53 0.00 0.00 39.78 36.88 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 -3.31 2.89 -0.52 0.00 1.01 -1.26 -3.22 120.40 115.99 2ysx s VAL 57 Ca 0.14 -2.17 -0.28 0.00 0.00 0.00 0.00 61.98 59.67 2ysx s VAL 57 Cb 0.03 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.39 2ysx s VAL 57 CO -0.01 -0.65 1.34 -0.31 0.00 0.00 0.00 175.10 175.47 2ysx s TYR 58 N 1.05 2.44 -0.16 5.22 1.51 0.50 -4.76 117.35 123.14 2ysx s TYR 58 Ca 0.09 0.54 -0.19 0.00 -1.01 0.00 0.00 57.07 56.51 2ysx s TYR 58 Cb -0.21 -4.41 -0.04 0.00 -0.11 0.00 0.00 41.96 37.20 2ysx s TYR 58 CO -0.06 -1.82 0.51 0.99 -1.11 0.00 0.00 175.55 174.07 2ysx s THR 59 N 5.51 5.14 -0.60 -0.71 2.01 -1.26 -1.49 115.64 124.25 2ysx s THR 59 Ca 0.52 0.98 0.04 0.00 0.31 0.00 0.00 61.69 63.55 2ysx s THR 59 Cb -0.10 -3.84 0.15 0.00 0.01 0.00 0.00 72.50 68.71 2ysx s THR 59 CO 0.28 0.24 0.36 -0.31 -0.69 0.00 0.00 174.62 174.50 2ysx s TYR 60 N 1.17 3.34 0.34 4.92 2.02 0.18 -4.90 117.35 124.41 2ysx s TYR 60 Ca 0.26 -3.22 -0.29 0.00 -0.37 0.00 0.00 57.07 53.45 2ysx s TYR 60 Cb -0.15 -2.81 -0.11 0.00 -0.40 0.00 0.00 41.96 38.49 2ysx s TYR 60 CO 0.10 -0.68 1.52 2.89 -1.57 0.00 0.00 175.55 177.82 2ysx n ARG 61 N 2.70 2.63 -3.77 -0.62 1.85 -1.26 -1.85 116.66 116.34 2ysx n ARG 61 Ca 0.11 0.93 -0.37 0.00 -1.00 0.00 0.00 57.85 57.52 2ysx n ARG 61 Cb 0.33 -2.67 -0.12 0.00 -1.05 0.00 0.00 32.46 28.96 2ysx n ARG 61 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2ysx s ILE 62 N -0.62 3.40 0.22 8.89 1.09 0.44 -3.63 121.20 130.99 2ysx s ILE 62 Ca 0.58 -1.82 -0.21 0.00 -1.10 0.00 0.00 60.65 58.10 2ysx s ILE 62 Cb -0.49 -3.22 -0.08 0.00 -1.06 0.00 0.00 42.46 37.60 2ysx s ILE 62 CO 0.57 -0.55 0.76 -0.76 -0.10 0.00 0.00 174.94 174.86 2ysx s LEU 63 N 1.21 4.39 0.72 2.97 2.01 -1.26 -1.45 118.68 127.27 2ysx s LEU 63 Ca 0.05 1.51 -0.13 0.00 0.01 0.00 0.00 54.13 55.57 2ysx s LEU 63 Cb -0.22 -3.58 0.03 0.00 0.01 0.00 0.00 46.19 42.43 2ysx s LEU 63 CO -0.03 0.06 1.10 -2.16 1.01 0.00 0.00 176.35 176.33 2ysx s PRO 64 N -1.82 2.52 0.41 1.29 0.04 -1.26 -4.29 135.00 131.88 2ysx s PRO 64 Ca 0.42 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.82 2ysx s PRO 64 Cb -0.18 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 2ysx s PRO 64 CO 0.22 -1.46 0.12 -0.80 0.04 0.00 0.00 177.00 175.12 2ysx s ASN 65 N -2.99 4.21 0.51 6.66 -0.87 -1.19 -4.93 114.94 116.35 2ysx s ASN 65 Ca 0.64 -1.19 0.29 0.00 -1.57 0.00 0.00 52.86 51.03 2ysx s ASN 65 Cb -0.19 -0.45 1.41 0.00 -0.02 0.00 0.00 41.25 42.00 2ysx s ASN 65 CO 0.49 -0.51 1.87 -0.33 -2.57 0.00 0.00 177.10 176.05 2ysx h GLU 66 N 1.56 0.08 -0.91 -0.60 5.08 -1.97 0.46 114.58 118.27 2ysx h GLU 66 Ca -0.43 -0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.39 2ysx h GLU 66 Cb 1.25 -0.02 -0.28 0.00 0.50 0.00 0.00 28.75 30.19 2ysx h GLU 66 CO 0.74 0.05 0.57 -0.25 -1.00 0.00 0.00 179.01 179.12 2ysx n ASP 67 N -4.32 4.92 -2.85 1.42 8.00 -1.26 -4.89 116.55 117.58 2ysx n ASP 67 Ca 0.20 -3.70 -0.10 0.00 0.71 0.00 0.00 54.79 51.89 2ysx n ASP 67 Cb 0.95 -0.84 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.05 -1.99 -4.90 -2.24 8.00 0.16 -4.89 116.55 109.63 2ysx n ASP 68 Ca 0.57 0.12 -0.28 0.00 0.71 0.00 0.00 54.79 55.91 2ysx n ASP 68 Cb 1.24 -1.77 0.05 0.00 -0.02 0.00 0.00 41.12 40.62 2ysx n ASP 68 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ysx s LYS 69 N -5.40 2.58 -0.25 -1.24 -0.14 -1.26 -4.77 119.74 109.25 2ysx s LYS 69 Ca 0.15 0.14 -0.01 0.00 -1.36 0.00 0.00 55.97 54.89 2ysx s LYS 69 Cb -0.09 -2.10 0.03 0.00 -1.68 0.00 0.00 37.83 34.00 2ysx s LYS 69 CO 0.19 -1.10 -0.06 -0.06 -0.76 0.00 0.00 175.35 173.56 2ysx s PHE 70 N -3.29 3.10 -0.11 3.18 0.08 -0.65 -3.14 117.98 117.15 2ysx s PHE 70 Ca 0.58 -1.69 -0.06 0.00 0.12 0.00 0.00 56.93 55.88 2ysx s PHE 70 Cb -0.11 -2.05 0.05 0.00 -0.57 0.00 0.00 43.02 40.34 2ysx s PHE 70 CO 0.48 -0.76 0.27 -0.08 -0.10 0.00 0.00 175.22 175.03 2ysx s THR 71 N 1.29 -0.03 0.36 0.64 -1.32 -1.26 -2.97 115.64 112.35 2ysx s THR 71 Ca -0.01 0.13 -0.27 0.00 -1.21 0.00 0.00 61.69 60.33 2ysx s THR 71 Cb -0.17 -0.41 -0.09 0.00 -1.51 0.00 0.00 72.50 70.31 2ysx s THR 71 CO -0.04 0.05 1.20 -0.69 -2.21 0.00 0.00 174.62 172.93 2ysx s VAL 72 N 1.19 3.06 -0.37 5.08 1.01 -1.26 -4.03 120.40 125.08 2ysx s VAL 72 Ca -0.09 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2ysx s VAL 72 Cb -0.09 -3.57 0.33 0.00 0.00 0.00 0.00 36.38 33.04 2ysx s VAL 72 CO -0.08 0.15 1.87 0.00 0.00 0.00 0.00 175.10 177.04 2ysx n GLN 73 N 0.44 1.97 -1.34 2.72 1.13 -1.24 -4.99 117.38 116.07 2ysx n GLN 73 Ca 0.02 -2.01 -0.40 0.00 -1.94 0.00 0.00 57.00 52.67 2ysx n GLN 73 Cb 0.45 -1.79 0.01 0.00 0.11 0.00 0.00 30.24 29.02 2ysx n GLN 73 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ysx n ALA 74 N -0.20 -2.34 0.17 -1.58 0.00 -1.26 -4.87 120.51 110.43 2ysx n ALA 74 Ca 0.39 0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 2ysx n ALA 74 Cb 0.82 -1.58 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 2ysx n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ysx h SER 75 N 0.24 -0.58 -3.53 0.00 0.87 -2.02 -3.39 113.55 105.13 2ysx h SER 75 Ca -0.41 0.05 -0.66 0.00 -1.23 0.00 0.00 61.79 59.54 2ysx h SER 75 Cb 1.43 0.20 -0.26 0.00 -0.44 0.00 0.00 62.40 63.33 2ysx h SER 75 CO 0.46 -0.33 -0.67 -0.70 -0.53 0.00 0.00 176.83 175.05 2ysx s GLU 76 N -6.09 3.41 -0.43 2.24 2.56 -1.26 -5.00 118.70 114.13 2ysx s GLU 76 Ca -0.16 -0.62 0.08 0.00 0.00 0.00 0.00 54.97 54.27 2ysx s GLU 76 Cb 0.06 -3.19 0.29 0.00 2.00 0.00 0.00 34.13 33.29 2ysx s GLU 76 CO 0.64 -0.24 0.83 0.41 -0.56 0.00 0.00 175.26 176.34 2ysx n GLY 77 N 4.85 1.67 0.36 -1.50 0.00 -1.26 -4.98 105.19 104.34 2ysx n GLY 77 Ca -0.17 -0.71 0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 0.93 -0.21 -3.91 1.61 0.24 -1.26 -4.17 118.33 111.55 2ysx n VAL 78 Ca 0.15 1.46 -0.32 0.00 -2.04 0.00 0.00 64.34 63.58 2ysx n VAL 78 Cb 0.63 -2.38 -0.05 0.00 -1.47 0.00 0.00 33.84 30.58 2ysx n VAL 78 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2ysx s SER 79 N -4.36 6.36 -0.35 -1.34 0.15 -1.26 -5.08 113.70 107.81 2ysx s SER 79 Ca -0.06 0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.92 2ysx s SER 79 Cb 0.25 -1.98 0.11 0.00 -1.71 0.00 0.00 66.02 62.69 2ysx s SER 79 CO 0.65 0.23 0.11 -0.32 1.20 0.00 0.00 173.24 175.11 2ysx s MET 80 N -2.16 1.14 0.13 5.44 1.75 -1.26 -5.11 119.30 119.23 2ysx s MET 80 Ca 0.30 -1.58 0.08 0.00 -1.25 0.00 0.00 55.69 53.24 2ysx s MET 80 Cb -0.13 -2.55 -0.04 0.00 2.84 0.00 0.00 34.83 34.96 2ysx s MET 80 CO 0.22 -1.00 -0.11 1.03 -0.65 0.00 0.00 175.02 174.51 2ysx s ARG 81 N 1.07 2.05 -0.08 4.11 0.52 -1.26 -5.13 118.95 120.23 2ysx s ARG 81 Ca 0.12 -1.11 0.02 0.00 -0.52 0.00 0.00 55.73 54.24 2ysx s ARG 81 Cb -0.19 -2.24 0.01 0.00 0.52 0.00 0.00 34.95 33.05 2ysx s ARG 81 CO -0.14 0.48 -0.14 -0.06 0.02 0.00 0.00 175.30 175.46 2ysx s PHE 82 N -1.32 1.73 0.21 -0.53 0.08 -1.26 -4.77 117.98 112.13 2ysx s PHE 82 Ca 0.22 -0.72 0.06 0.00 0.12 0.00 0.00 56.93 56.61 2ysx s PHE 82 Cb -0.10 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 2ysx s PHE 82 CO 0.14 -0.36 0.19 -0.06 -0.10 0.00 0.00 175.22 175.03 2ysx s PHE 83 N 0.78 3.18 -0.16 0.36 0.40 -1.16 -4.93 117.98 116.44 2ysx s PHE 83 Ca -0.12 -0.06 -0.19 0.00 -0.60 0.00 0.00 56.93 55.97 2ysx s PHE 83 Cb -0.16 -1.47 -0.16 0.00 0.51 0.00 0.00 43.02 41.75 2ysx s PHE 83 CO 0.02 0.51 0.28 1.15 0.70 0.00 0.00 175.22 177.88 2ysx h THR 84 N 1.67 0.89 -2.60 0.64 2.02 -1.94 -1.73 112.91 111.86 2ysx h THR 84 Ca -0.49 -1.87 -0.55 0.00 0.77 0.00 0.00 66.41 64.28 2ysx h THR 84 Cb 1.22 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 69.47 2ysx h THR 84 CO 0.62 0.30 -0.50 -0.54 0.37 0.00 0.00 175.52 175.77 2ysx s LYS 85 N -2.19 3.24 0.07 6.66 1.02 -1.26 -4.63 119.74 122.65 2ysx s LYS 85 Ca -0.20 -0.70 -0.24 0.00 0.02 0.00 0.00 55.97 54.85 2ysx s LYS 85 Cb 0.02 -2.85 -0.16 0.00 -0.52 0.00 0.00 37.83 34.32 2ysx s LYS 85 CO 0.48 0.50 1.66 1.25 -0.92 0.00 0.00 175.35 178.32 2ysx h LEU 86 N 2.21 -0.08 0.00 3.17 7.12 -1.96 -3.06 115.31 122.71 2ysx h LEU 86 Ca -0.48 -0.06 0.03 0.00 0.13 0.00 0.00 57.88 57.50 2ysx h LEU 86 Cb 1.20 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 41.29 2ysx h LEU 86 CO 0.66 0.01 -0.41 0.44 -0.13 0.00 0.00 178.44 179.01 2ysx h ASP 87 N -0.17 -1.23 -1.01 1.25 5.19 -1.99 -0.88 116.42 117.58 2ysx h ASP 87 Ca -0.01 0.15 0.39 0.00 -0.62 0.00 0.00 57.03 56.94 2ysx h ASP 87 Cb 0.14 0.48 -0.17 0.00 0.18 0.00 0.00 39.33 39.96 2ysx h ASP 87 CO 0.02 -0.45 0.56 1.56 -3.12 0.00 0.00 179.24 177.80 2ysx h GLN 88 N -0.56 0.11 -0.29 3.56 1.08 -1.97 0.82 115.11 117.86 2ysx h GLN 88 Ca 0.05 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 2ysx h GLN 88 Cb 0.64 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 2ysx h GLN 88 CO -0.31 0.08 -0.13 1.25 -0.95 0.00 0.00 178.83 178.77 2ysx h LEU 89 N 0.12 0.62 0.39 1.46 6.46 -1.09 -3.17 115.31 120.10 2ysx h LEU 89 Ca 0.81 -0.40 -0.02 0.00 -0.12 0.00 0.00 57.88 58.15 2ysx h LEU 89 Cb 2.05 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.82 2ysx h LEU 89 CO -0.71 0.88 -0.19 0.40 -0.62 0.00 0.00 178.44 178.21 2ysx h ILE 90 N 0.35 0.00 -0.94 4.05 1.08 0.11 -1.70 117.51 120.46 2ysx h ILE 90 Ca 0.07 -0.16 0.33 0.00 -0.39 0.00 0.00 64.86 64.70 2ysx h ILE 90 Cb 0.64 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.29 2ysx h ILE 90 CO 0.04 0.00 0.60 1.21 -0.69 0.00 0.00 178.15 179.31 2ysx n GLU 91 N -3.86 -0.03 0.01 2.37 0.00 0.29 0.22 120.64 119.64 2ysx n GLU 91 Ca -0.06 0.89 -0.02 0.00 0.00 0.00 0.00 57.16 57.96 2ysx n GLU 91 Cb 0.21 -1.73 -0.01 0.00 0.00 0.00 0.00 31.44 29.90 2ysx n GLU 91 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2ysx h PHE 92 N 0.00 -0.12 -0.30 4.31 3.57 -1.51 -3.28 116.94 119.62 2ysx h PHE 92 Ca 0.62 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.20 2ysx h PHE 92 Cb 1.95 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.72 2ysx h PHE 92 CO -0.00 -0.07 0.74 1.88 -2.23 0.00 0.00 178.31 178.62 2ysx h TYR 93 N -1.02 0.00 -0.49 0.41 -1.99 0.74 -0.08 116.97 114.53 2ysx h TYR 93 Ca -0.01 0.00 0.14 0.00 2.00 0.00 0.00 58.73 60.86 2ysx h TYR 93 Cb 0.10 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.81 2ysx h TYR 93 CO 0.00 0.00 0.82 0.87 -0.00 0.00 0.00 178.16 179.85 2ysx h LYS 94 N 0.00 0.00 -5.81 4.88 1.57 -1.08 -3.38 116.57 112.75 2ysx h LYS 94 Ca 0.14 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.35 2ysx h LYS 94 Cb 1.62 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.85 2ysx h LYS 94 CO -0.00 0.00 0.02 0.15 -0.57 0.00 0.00 179.45 179.05 2ysx s LYS 95 N -4.35 4.33 0.23 3.15 1.02 -0.05 -3.32 119.74 120.75 2ysx s LYS 95 Ca -0.03 0.65 -0.07 0.00 0.02 0.00 0.00 55.97 56.53 2ysx s LYS 95 Cb 0.11 -3.49 0.36 0.00 -0.52 0.00 0.00 37.83 34.29 2ysx s LYS 95 CO 0.37 -0.01 1.29 -0.85 -0.92 0.00 0.00 175.35 175.23 2ysx n GLU 96 N 4.17 -0.09 -3.26 1.68 0.28 -1.26 -4.69 120.64 117.47 2ysx n GLU 96 Ca -0.03 1.29 -0.17 0.00 -0.16 0.00 0.00 57.16 58.08 2ysx n GLU 96 Cb 0.51 -1.92 -0.03 0.00 1.43 0.00 0.00 31.44 31.43 2ysx n GLU 96 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2ysx n ASN 97 N -5.33 -1.79 -2.75 -1.84 2.85 -1.26 -0.30 115.26 104.83 2ysx n ASN 97 Ca 0.13 -0.19 -0.08 0.00 -0.11 0.00 0.00 54.58 54.33 2ysx n ASN 97 Cb 0.40 -1.60 -0.02 0.00 1.24 0.00 0.00 39.78 39.81 2ysx n ASN 97 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 2ysx n MET 98 N -3.18 -2.40 0.00 1.20 0.00 -1.26 -4.76 117.12 106.73 2ysx n MET 98 Ca 0.03 0.03 0.00 0.00 -0.00 0.00 0.00 57.70 57.75 2ysx n MET 98 Cb 0.50 -4.18 0.00 0.00 0.00 0.00 0.00 33.22 29.54 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 -0.58 0.72 2.66 -5.12 0.00 0.59 -5.05 105.19 98.40 2ysx n GLY 99 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.30 -0.33 0.99 4.77 -1.26 -4.70 117.00 113.18 2ysx n LEU 100 Ca 0.00 0.49 0.25 0.00 -0.03 0.00 0.00 56.01 56.72 2ysx n LEU 100 Cb 0.00 -0.69 0.48 0.00 -2.33 0.00 0.00 43.42 40.88 2ysx n LEU 100 CO 0.00 -4.10 1.04 1.62 -1.33 0.00 0.00 177.39 174.62 2ysx h VAL 101 N -0.12 0.15 -3.89 4.08 3.04 -1.97 -3.42 116.25 114.13 2ysx h VAL 101 Ca -0.34 -0.05 -0.10 0.00 -1.01 0.00 0.00 66.70 65.19 2ysx h VAL 101 Cb 1.18 -0.01 -0.11 0.00 -2.01 0.00 0.00 31.29 30.34 2ysx h VAL 101 CO 0.33 0.03 -0.27 0.28 -1.01 0.00 0.00 177.57 176.92 2ysx s THR 102 N -5.67 0.02 -0.09 3.17 -1.32 -1.26 -5.11 115.64 105.38 2ysx s THR 102 Ca -0.10 -1.49 -0.21 0.00 -1.21 0.00 0.00 61.69 58.68 2ysx s THR 102 Cb 0.31 -2.12 -0.04 0.00 -1.51 0.00 0.00 72.50 69.14 2ysx s THR 102 CO 0.78 -0.10 0.62 -1.38 -2.21 0.00 0.00 174.62 172.33 2ysx s HIS 103 N -4.02 3.54 0.09 9.09 -3.43 -1.26 -4.86 115.29 114.44 2ysx s HIS 103 Ca 0.23 1.10 -0.34 0.00 -0.80 0.00 0.00 55.06 55.26 2ysx s HIS 103 Cb 0.02 -2.72 -0.13 0.00 -1.43 0.00 0.00 32.58 28.32 2ysx s HIS 103 CO 0.06 0.10 1.69 1.28 -2.00 0.00 0.00 174.74 175.87 2ysx n LEU 104 N 3.83 3.30 0.07 5.38 4.77 -1.21 -4.82 117.00 128.33 2ysx n LEU 104 Ca -0.03 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 2ysx n LEU 104 Cb 0.51 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 2ysx n LEU 104 CO 0.45 -0.17 -0.06 0.00 -1.33 0.00 0.00 177.39 176.28 2ysx n GLN 105 N 4.49 0.00 -3.81 3.23 6.02 -1.22 -4.86 117.38 121.23 2ysx n GLN 105 Ca 0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.82 2ysx n GLN 105 Cb 0.30 -0.29 -0.12 0.00 1.02 0.00 0.00 30.24 31.15 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 -2.00 3.54 -0.90 1.08 2.02 -1.26 -5.04 117.35 114.79 2ysx s TYR 106 Ca 0.00 -2.62 -0.25 0.00 -0.37 0.00 0.00 57.07 53.83 2ysx s TYR 106 Cb 0.00 -3.15 -0.05 0.00 -0.40 0.00 0.00 41.96 38.36 2ysx s TYR 106 CO 0.00 -0.92 1.95 -1.25 -1.57 0.00 0.00 175.55 173.75 2ysx s PRO 107 N 0.73 2.55 -0.91 -1.71 0.04 -1.26 -3.26 135.00 131.18 2ysx s PRO 107 Ca 0.11 -0.29 -0.28 0.00 0.04 0.00 0.00 61.00 60.58 2ysx s PRO 107 Cb -0.22 -5.06 -0.20 0.00 0.04 0.00 0.00 34.50 29.06 2ysx s PRO 107 CO -0.04 -3.38 2.47 0.28 0.04 0.00 0.00 177.00 176.36 2ysx n VAL 108 N 7.88 0.00 -2.22 -0.36 0.31 -0.92 -4.73 118.33 118.29 2ysx n VAL 108 Ca 0.40 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.38 2ysx n VAL 108 Cb 0.47 -0.46 0.01 0.00 -0.91 0.00 0.00 33.84 32.95 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 8.22 3.31 1.01 5.55 0.04 -1.23 -4.51 135.00 147.40 2ysx s PRO 109 Ca 1.24 1.59 -0.22 0.00 0.04 0.00 0.00 61.00 63.65 2ysx s PRO 109 Cb -1.15 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 31.26 2ysx s PRO 109 CO 0.45 -0.88 -0.96 1.28 0.04 0.00 0.00 177.00 176.93 2ysx n LEU 110 N -1.39 -3.63 -4.68 -3.56 4.77 -1.23 -4.85 117.00 102.43 2ysx n LEU 110 Ca 0.11 0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 2ysx n LEU 110 Cb 0.51 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2ysx n LEU 110 CO 0.43 -3.77 0.73 -0.70 -1.33 0.00 0.00 177.39 172.75 2ysx s GLU 111 N -2.33 4.37 -0.13 3.23 -6.30 -1.26 -5.03 118.70 111.25 2ysx s GLU 111 Ca 0.42 1.26 -0.01 0.00 -2.50 0.00 0.00 54.97 54.13 2ysx s GLU 111 Cb -0.04 -3.56 0.04 0.00 0.00 0.00 0.00 34.13 30.58 2ysx s GLU 111 CO 0.71 -0.33 -0.02 -1.21 0.02 0.00 0.00 175.26 174.44 2ysx s GLU 112 N 2.11 0.97 0.48 4.30 2.02 -1.26 -5.14 118.70 122.18 2ysx s GLU 112 Ca 0.45 -0.23 -0.14 0.00 0.02 0.00 0.00 54.97 55.07 2ysx s GLU 112 Cb -0.17 -1.59 -0.07 0.00 0.10 0.00 0.00 34.13 32.39 2ysx s GLU 112 CO 0.15 -0.41 0.90 -1.83 0.02 0.00 0.00 175.26 174.10 2ysx s GLU 113 N 1.82 3.86 -0.87 1.61 -1.05 -1.26 -4.98 118.70 117.83 2ysx s GLU 113 Ca 0.03 0.74 -0.25 0.00 -0.15 0.00 0.00 54.97 55.34 2ysx s GLU 113 Cb -0.14 -2.24 0.03 0.00 -0.44 0.00 0.00 34.13 31.34 2ysx s GLU 113 CO -0.07 -0.19 1.43 -0.51 0.95 0.00 0.00 175.26 176.87 2ysx s ASP 114 N -3.17 6.20 0.06 0.83 1.11 -1.26 -4.94 116.67 115.50 2ysx s ASP 114 Ca 0.55 -0.87 -0.10 0.00 0.18 0.00 0.00 52.55 52.31 2ysx s ASP 114 Cb -0.10 -2.56 0.01 0.00 1.07 0.00 0.00 42.92 41.33 2ysx s ASP 114 CO 0.33 -1.78 0.23 0.28 1.18 0.00 0.00 175.17 175.40 2ysx s THR 115 N 5.86 0.11 0.00 -1.27 -1.32 -1.26 -5.05 115.64 112.71 2ysx s THR 115 Ca 0.44 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 2ysx s THR 115 Cb -0.05 -1.08 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 2ysx s THR 115 CO 0.03 -0.51 0.00 0.61 -2.21 0.00 0.00 174.62 172.54 2ysx n GLY 116 N 0.35 0.00 3.56 6.08 0.00 -1.26 -5.09 105.19 108.83 2ysx n GLY 116 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 2ysx n GLY 116 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ysx s ASP 117 N 0.00 5.86 -0.26 1.61 1.47 -1.26 -4.90 116.67 119.19 2ysx s ASP 117 Ca 0.00 -0.75 -0.23 0.00 1.18 0.00 0.00 52.55 52.75 2ysx s ASP 117 Cb 0.00 -2.56 0.07 0.00 -0.34 0.00 0.00 42.92 40.09 2ysx s ASP 117 CO 0.00 -2.06 0.68 1.51 0.68 0.00 0.00 175.17 175.99 2ysx s ASP 118 N 6.06 -0.72 0.00 2.11 -4.77 -1.26 -5.37 116.67 112.71 2ysx s ASP 118 Ca 0.54 1.38 0.16 0.00 -3.30 0.00 0.00 52.55 51.33 2ysx s ASP 118 Cb -0.05 1.40 0.93 0.00 -1.09 0.00 0.00 42.92 44.10 2ysx s ASP 118 CO 0.03 -0.24 1.34 -0.81 0.70 0.00 0.00 175.17 176.19