#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 5.70 -0.85 1.61 0.01 -1.26 -5.02 113.70 113.90 2ysx s SER 2 Ca 0.00 -1.61 -0.04 0.00 1.31 0.00 0.00 55.95 55.61 2ysx s SER 2 Cb 0.00 -2.01 0.21 0.00 0.21 0.00 0.00 66.02 64.43 2ysx s SER 2 CO 0.00 -0.59 0.73 -0.55 0.41 0.00 0.00 173.24 173.24 2ysx s SER 3 N 2.33 6.03 -0.03 2.44 0.15 -1.26 -5.04 113.70 118.32 2ysx s SER 3 Ca 0.04 -3.41 0.07 0.00 0.70 0.00 0.00 55.95 53.34 2ysx s SER 3 Cb -0.24 -1.96 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 2ysx s SER 3 CO 0.02 -0.27 -0.22 -0.83 1.20 0.00 0.00 173.24 173.13 2ysx s GLY 4 N 0.42 1.11 0.64 9.45 0.00 -1.26 -5.14 107.32 112.55 2ysx s GLY 4 Ca 0.24 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 44.05 2ysx s GLY 4 CO -0.09 -0.75 0.88 -0.56 0.00 0.00 0.00 173.10 172.58 2ysx s SER 5 N -0.43 4.75 0.42 1.64 0.01 -1.26 -5.12 113.70 113.72 2ysx s SER 5 Ca 0.06 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.76 2ysx s SER 5 Cb -0.10 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 2ysx s SER 5 CO 0.00 -1.58 0.63 -0.94 0.41 0.00 0.00 173.24 171.76 2ysx s SER 6 N -4.68 5.89 0.71 2.44 1.04 -1.26 -5.07 113.70 112.76 2ysx s SER 6 Ca 0.64 0.22 -0.15 0.00 0.48 0.00 0.00 55.95 57.15 2ysx s SER 6 Cb -0.06 -1.52 0.03 0.00 0.10 0.00 0.00 66.02 64.57 2ysx s SER 6 CO 0.41 -0.63 1.16 -0.83 0.98 0.00 0.00 173.24 174.33 2ysx s GLY 7 N -4.20 2.21 0.07 7.32 0.00 -1.26 -4.95 107.32 106.51 2ysx s GLY 7 Ca 0.47 0.70 -0.31 0.00 0.00 0.00 0.00 44.72 45.58 2ysx s GLY 7 CO 0.37 1.08 1.35 -3.16 0.00 0.00 0.00 173.10 172.74 2ysx s MET 8 N -4.06 4.33 0.08 2.90 0.00 -1.26 -5.03 119.30 116.27 2ysx s MET 8 Ca 0.70 1.98 0.10 0.00 0.00 0.00 0.00 55.69 58.47 2ysx s MET 8 Cb -0.25 -3.37 -0.03 0.00 0.00 0.00 0.00 34.83 31.18 2ysx s MET 8 CO 0.44 -0.44 -0.26 0.14 0.00 0.00 0.00 175.02 174.90 2ysx s VAL 9 N 1.50 2.16 0.81 5.16 -7.23 -1.26 -5.14 120.40 116.40 2ysx s VAL 9 Ca 0.63 -1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 59.17 2ysx s VAL 9 Cb -0.34 -1.87 0.08 0.00 0.56 0.00 0.00 36.38 34.81 2ysx s VAL 9 CO 0.29 0.25 1.09 -2.16 -0.31 0.00 0.00 175.10 174.26 2ysx s PRO 10 N -1.54 1.99 0.00 4.82 0.04 -1.26 -4.96 135.00 134.09 2ysx s PRO 10 Ca 0.12 1.08 0.23 0.00 0.04 0.00 0.00 61.00 62.47 2ysx s PRO 10 Cb -0.10 -1.87 0.66 0.00 0.04 0.00 0.00 34.50 33.23 2ysx s PRO 10 CO 0.03 -1.80 1.51 0.00 0.04 0.00 0.00 177.00 176.78 2ysx n TRP 12 N 0.70 0.08 -3.67 0.00 4.27 -1.26 -3.83 117.44 113.74 2ysx n TRP 12 Ca 0.17 -0.05 -0.37 0.00 -3.89 0.00 0.00 57.50 53.36 2ysx n TRP 12 Cb 0.43 -0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.30 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 -1.51 5.55 -0.01 -0.67 3.84 -1.25 -0.54 114.94 120.35 2ysx s ASN 13 Ca 0.24 -3.10 -0.04 0.00 0.21 0.00 0.00 52.86 50.17 2ysx s ASN 13 Cb 0.16 -1.90 -0.02 0.00 -0.55 0.00 0.00 41.25 38.94 2ysx s ASN 13 CO 0.24 -0.33 0.44 0.45 -2.79 0.00 0.00 177.10 175.11 2ysx h HIS 14 N 6.79 -0.15 0.00 0.43 3.86 -1.80 -3.48 115.15 120.80 2ysx h HIS 14 Ca 0.04 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2ysx h HIS 14 Cb 0.92 0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.44 2ysx h HIS 14 CO 0.74 -0.09 0.00 0.41 0.86 0.00 0.00 177.93 179.85 2ysx n GLY 15 N 0.76 0.37 3.42 2.45 0.00 -1.25 -4.99 105.19 105.95 2ysx n GLY 15 Ca -0.02 -1.26 -0.44 0.00 0.00 0.00 0.00 46.02 44.31 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 6.24 0.31 1.61 2.47 -1.26 0.78 114.94 121.09 2ysx s ASN 16 Ca 0.00 -1.32 0.06 0.00 0.42 0.00 0.00 52.86 52.02 2ysx s ASN 16 Cb 0.00 -2.36 -0.06 0.00 -1.45 0.00 0.00 41.25 37.37 2ysx s ASN 16 CO 0.00 -1.25 -0.02 0.27 -3.72 0.00 0.00 177.10 172.37 2ysx s ILE 17 N 3.28 1.63 0.17 -5.21 -4.36 -1.26 -5.02 121.20 110.42 2ysx s ILE 17 Ca 0.19 -2.09 -0.18 0.00 -0.26 0.00 0.00 60.65 58.31 2ysx s ILE 17 Cb -0.18 -2.62 -0.08 0.00 1.25 0.00 0.00 42.46 40.83 2ysx s ILE 17 CO 0.06 -0.18 0.65 0.28 0.24 0.00 0.00 174.94 175.98 2ysx s THR 18 N -3.01 4.67 0.15 8.37 -1.32 -1.26 -4.93 115.64 118.31 2ysx s THR 18 Ca 0.32 1.17 -0.17 0.00 -1.21 0.00 0.00 61.69 61.79 2ysx s THR 18 Cb 0.06 -3.85 0.07 0.00 -1.51 0.00 0.00 72.50 67.27 2ysx s THR 18 CO 0.14 0.30 1.14 -1.14 -2.21 0.00 0.00 174.62 172.86 2ysx n ARG 19 N 0.99 -0.24 -0.40 7.08 0.00 -1.26 0.15 116.66 122.98 2ysx n ARG 19 Ca -0.05 1.13 -0.07 0.00 -0.00 0.00 0.00 57.85 58.86 2ysx n ARG 19 Cb 0.51 -1.67 -0.05 0.00 0.00 0.00 0.00 32.46 31.26 2ysx n ARG 19 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2ysx h SER 20 N 0.00 -1.88 -0.02 6.15 0.87 -2.00 -1.75 113.55 114.92 2ysx h SER 20 Ca 0.19 0.32 0.01 0.00 -1.23 0.00 0.00 61.79 61.08 2ysx h SER 20 Cb 0.38 0.88 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2ysx h SER 20 CO -0.72 -0.25 -0.12 0.50 -0.53 0.00 0.00 176.83 175.71 2ysx h LYS 21 N -0.01 -0.12 -1.30 2.24 1.63 -0.68 0.19 116.57 118.53 2ysx h LYS 21 Ca 0.23 0.01 0.41 0.00 -0.85 0.00 0.00 60.65 60.45 2ysx h LYS 21 Cb 0.49 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 32.06 2ysx h LYS 21 CO -0.96 -0.08 0.90 0.00 -3.45 0.00 0.00 179.45 175.86 2ysx n ALA 22 N -2.65 1.27 -0.02 5.00 0.00 -0.71 -0.79 120.51 122.60 2ysx n ALA 22 Ca -0.01 0.60 -0.00 0.00 0.00 0.00 0.00 53.44 54.02 2ysx n ALA 22 Cb 0.08 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 2ysx n ALA 22 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ysx h GLU 23 N 0.00 0.00 -1.55 0.00 5.08 -0.41 -3.24 114.58 114.46 2ysx h GLU 23 Ca 0.71 0.00 0.50 0.00 -1.00 0.00 0.00 59.36 59.57 2ysx h GLU 23 Cb 2.57 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 31.70 2ysx h GLU 23 CO -0.19 0.00 1.04 1.05 -1.00 0.00 0.00 179.01 179.91 2ysx h GLU 24 N -0.41 0.01 -0.47 2.33 4.11 0.14 1.66 114.58 121.94 2ysx h GLU 24 Ca 0.00 -0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 2ysx h GLU 24 Cb 0.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2ysx h GLU 24 CO 0.00 0.00 -0.14 -0.07 0.07 0.00 0.00 179.01 178.88 2ysx h LEU 25 N 0.01 0.94 -0.00 3.06 3.38 -1.10 -0.77 115.31 120.82 2ysx h LEU 25 Ca 0.90 -0.37 -0.17 0.00 0.09 0.00 0.00 57.88 58.33 2ysx h LEU 25 Cb 3.10 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 43.60 2ysx h LEU 25 CO -0.34 1.10 -0.64 -0.07 0.09 0.00 0.00 178.44 178.57 2ysx h LEU 26 N 0.78 0.57 0.76 1.67 3.38 0.23 -3.26 115.31 119.44 2ysx h LEU 26 Ca 0.12 -0.76 -0.04 0.00 0.09 0.00 0.00 57.88 57.29 2ysx h LEU 26 Cb 0.70 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.28 2ysx h LEU 26 CO 0.05 1.25 -0.36 0.28 0.09 0.00 0.00 178.44 179.75 2ysx h SER 27 N -0.05 -0.86 -1.37 -0.43 0.02 -0.78 -2.60 113.55 107.48 2ysx h SER 27 Ca -0.08 0.03 0.47 0.00 -0.84 0.00 0.00 61.79 61.37 2ysx h SER 27 Cb 1.35 0.22 -0.14 0.00 0.14 0.00 0.00 62.40 63.97 2ysx h SER 27 CO 0.13 -0.59 0.88 -2.11 -1.14 0.00 0.00 176.83 173.99 2ysx n ARG 28 N -4.89 -0.04 0.21 3.45 1.85 -0.30 0.09 116.66 117.04 2ysx n ARG 28 Ca -0.13 1.24 -0.13 0.00 -1.00 0.00 0.00 57.85 57.84 2ysx n ARG 28 Cb 0.40 -2.45 -0.07 0.00 -1.05 0.00 0.00 32.46 29.29 2ysx n ARG 28 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2ysx h THR 29 N 0.00 0.46 -1.48 8.89 2.02 -1.53 -3.47 112.91 117.80 2ysx h THR 29 Ca 0.87 -0.54 -0.26 0.00 0.77 0.00 0.00 66.41 67.26 2ysx h THR 29 Cb 2.82 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 69.86 2ysx h THR 29 CO -0.46 0.08 -0.30 0.61 0.37 0.00 0.00 175.52 175.82 2ysx n GLY 30 N -0.31 0.25 3.41 2.16 0.00 0.11 -5.00 105.19 105.82 2ysx n GLY 30 Ca -0.10 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 2ysx n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysx s LYS 31 N -4.21 3.53 -1.10 1.61 1.02 -1.26 -5.03 119.74 114.29 2ysx s LYS 31 Ca 0.00 -0.58 -0.23 0.00 0.02 0.00 0.00 55.97 55.18 2ysx s LYS 31 Cb 0.00 -2.93 -0.05 0.00 -0.52 0.00 0.00 37.83 34.33 2ysx s LYS 31 CO 0.00 0.06 1.90 -0.51 -0.92 0.00 0.00 175.35 175.88 2ysx s ASP 32 N 0.81 5.30 0.00 2.83 1.11 -1.26 -3.26 116.67 122.20 2ysx s ASP 32 Ca -0.01 -1.42 0.00 0.00 0.18 0.00 0.00 52.55 51.30 2ysx s ASP 32 Cb -0.15 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.27 2ysx s ASP 32 CO 0.02 -2.73 0.00 0.61 1.18 0.00 0.00 175.17 174.25 2ysx n GLY 33 N 6.15 0.00 3.94 0.21 0.00 -1.24 -4.96 105.19 109.29 2ysx n GLY 33 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 2ysx n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysx s SER 34 N 0.00 6.32 -0.14 1.61 0.01 -1.20 -1.78 113.70 118.52 2ysx s SER 34 Ca 0.00 0.36 -0.30 0.00 1.31 0.00 0.00 55.95 57.32 2ysx s SER 34 Cb 0.00 -1.99 0.11 0.00 0.21 0.00 0.00 66.02 64.35 2ysx s SER 34 CO 0.00 -0.19 0.88 0.72 0.41 0.00 0.00 173.24 175.07 2ysx s PHE 35 N -2.14 -0.49 0.22 2.43 -0.71 -1.25 -1.87 117.98 114.17 2ysx s PHE 35 Ca 0.38 0.89 -0.20 0.00 -1.04 0.00 0.00 56.93 56.96 2ysx s PHE 35 Cb -0.10 0.42 0.04 0.00 -1.21 0.00 0.00 43.02 42.17 2ysx s PHE 35 CO 0.33 -0.42 0.63 -0.48 -1.34 0.00 0.00 175.22 173.93 2ysx s LEU 36 N -0.96 -0.25 0.03 -1.99 0.05 -1.03 -3.54 118.68 110.98 2ysx s LEU 36 Ca -0.04 -0.41 0.09 0.00 0.05 0.00 0.00 54.13 53.82 2ysx s LEU 36 Cb -0.01 2.52 -0.03 0.00 -2.05 0.00 0.00 46.19 46.62 2ysx s LEU 36 CO 0.04 -1.16 -0.26 -0.69 -0.55 0.00 0.00 176.35 173.73 2ysx s VAL 37 N -3.86 2.11 -0.04 1.48 1.01 0.30 -0.60 120.40 120.79 2ysx s VAL 37 Ca 0.08 -1.32 -0.02 0.00 0.00 0.00 0.00 61.98 60.72 2ysx s VAL 37 Cb -0.03 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.58 2ysx s VAL 37 CO -0.01 0.42 0.10 0.00 0.00 0.00 0.00 175.10 175.61 2ysx s ARG 38 N -1.07 0.07 -0.48 2.72 1.70 -0.87 -2.63 118.95 118.40 2ysx s ARG 38 Ca 0.11 0.23 -0.27 0.00 -0.47 0.00 0.00 55.73 55.34 2ysx s ARG 38 Cb -0.10 -0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.14 2ysx s ARG 38 CO 0.01 -0.10 2.10 0.00 -1.08 0.00 0.00 175.30 176.24 2ysx s ALA 39 N 0.67 2.13 0.44 7.88 0.00 0.23 -1.20 121.76 131.92 2ysx s ALA 39 Ca -0.05 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 2ysx s ALA 39 Cb -0.07 -4.25 -0.12 0.00 0.00 0.00 0.00 23.12 18.68 2ysx s ALA 39 CO -0.03 -3.80 -0.17 0.45 0.00 0.00 0.00 175.76 172.21 2ysx n SER 40 N 13.49 -3.10 0.01 0.00 2.88 -1.16 -4.55 113.62 121.18 2ysx n SER 40 Ca 0.28 0.47 -0.18 0.00 -1.33 0.00 0.00 58.87 58.11 2ysx n SER 40 Cb 0.52 -0.65 -0.14 0.00 -0.75 0.00 0.00 64.21 63.18 2ysx n SER 40 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2ysx h GLU 41 N -0.10 0.19 0.05 -1.46 4.11 -1.92 -3.35 114.58 112.10 2ysx h GLU 41 Ca -0.32 -0.32 -0.00 0.00 0.07 0.00 0.00 59.36 58.78 2ysx h GLU 41 Cb 1.12 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2ysx h GLU 41 CO 0.31 1.15 -0.06 0.77 0.07 0.00 0.00 179.01 181.24 2ysx h SER 42 N -0.59 -0.18 -3.67 3.06 0.02 -1.99 -3.40 113.55 106.81 2ysx h SER 42 Ca -0.09 0.02 -0.67 0.00 -0.84 0.00 0.00 61.79 60.21 2ysx h SER 42 Cb 1.40 0.06 -0.36 0.00 0.14 0.00 0.00 62.40 63.64 2ysx h SER 42 CO 0.10 -0.08 -0.80 -0.63 -1.14 0.00 0.00 176.83 174.28 2ysx s ILE 43 N -3.35 2.29 0.21 3.27 1.09 -1.26 -5.00 121.20 118.46 2ysx s ILE 43 Ca -0.02 -1.42 -0.10 0.00 -1.10 0.00 0.00 60.65 58.01 2ysx s ILE 43 Cb 0.01 -2.26 0.18 0.00 -1.06 0.00 0.00 42.46 39.33 2ysx s ILE 43 CO 0.07 0.10 1.68 0.77 -0.10 0.00 0.00 174.94 177.46 2ysx h SER 44 N 7.85 -0.14 -1.09 3.58 4.64 -1.79 0.57 113.55 127.17 2ysx h SER 44 Ca -0.26 0.14 0.33 0.00 -0.47 0.00 0.00 61.79 61.53 2ysx h SER 44 Cb 1.07 0.22 -0.13 0.00 -0.31 0.00 0.00 62.40 63.25 2ysx h SER 44 CO 0.51 -0.06 0.67 0.03 -0.87 0.00 0.00 176.83 177.11 2ysx h ARG 45 N 0.18 0.29 -7.53 4.77 3.08 -1.94 -3.41 114.38 109.82 2ysx h ARG 45 Ca 0.33 -0.02 -0.48 0.00 0.07 0.00 0.00 59.98 59.88 2ysx h ARG 45 Cb 0.52 -0.07 0.10 0.00 0.08 0.00 0.00 29.97 30.60 2ysx h ARG 45 CO -0.47 0.19 0.39 0.00 -1.07 0.00 0.00 179.97 179.01 2ysx s ALA 46 N -5.54 2.62 0.36 0.04 0.00 0.19 -4.76 121.76 114.68 2ysx s ALA 46 Ca -0.09 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.44 2ysx s ALA 46 Cb 0.29 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 2ysx s ALA 46 CO 0.80 -1.54 0.17 0.66 0.00 0.00 0.00 175.76 175.86 2ysx n TYR 47 N -3.26 -0.13 -3.38 0.00 4.01 -0.57 -3.00 117.16 110.82 2ysx n TYR 47 Ca 0.07 -2.50 -0.13 0.00 -0.16 0.00 0.00 57.90 55.18 2ysx n TYR 47 Cb 0.59 0.08 -0.09 0.00 -0.31 0.00 0.00 39.34 39.61 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 -3.10 -0.78 -0.45 -0.72 0.00 -0.34 -0.29 121.76 116.07 2ysx s ALA 48 Ca 0.25 0.30 -0.23 0.00 0.00 0.00 0.00 51.96 52.28 2ysx s ALA 48 Cb 0.01 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.44 2ysx s ALA 48 CO 0.17 -1.47 0.79 -1.17 0.00 0.00 0.00 175.76 174.08 2ysx s LEU 49 N 2.45 4.26 0.42 0.00 2.96 0.13 -2.04 118.68 126.86 2ysx s LEU 49 Ca 0.10 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2ysx s LEU 49 Cb -0.14 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 2ysx s LEU 49 CO -0.23 -0.92 0.67 0.00 -1.32 0.00 0.00 176.35 174.55 2ysx s VAL 51 N -2.54 -0.01 0.02 0.00 1.01 -0.43 -2.47 120.40 115.98 2ysx s VAL 51 Ca 0.44 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 2ysx s VAL 51 Cb -0.10 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.41 2ysx s VAL 51 CO 0.40 0.02 0.55 -0.22 0.00 0.00 0.00 175.10 175.85 2ysx s LEU 52 N 1.49 4.45 -0.30 3.92 2.96 -0.78 -0.34 118.68 130.09 2ysx s LEU 52 Ca -0.09 1.14 -0.15 0.00 -0.22 0.00 0.00 54.13 54.81 2ysx s LEU 52 Cb -0.07 -2.85 0.16 0.00 0.50 0.00 0.00 46.19 43.93 2ysx s LEU 52 CO -0.16 0.19 0.98 -0.47 -1.32 0.00 0.00 176.35 175.56 2ysx s TYR 53 N -0.58 -0.65 -1.23 5.38 6.14 -0.31 -3.66 117.35 122.45 2ysx s TYR 53 Ca 0.29 1.18 -0.01 0.00 0.64 0.00 0.00 57.07 59.17 2ysx s TYR 53 Cb -0.18 0.39 0.00 0.00 0.42 0.00 0.00 41.96 42.59 2ysx s TYR 53 CO 0.17 -0.32 1.00 0.54 0.64 0.00 0.00 175.55 177.58 2ysx n ARG 54 N 4.50 -6.67 -3.68 4.97 5.12 -1.26 -2.05 116.66 117.60 2ysx n ARG 54 Ca -0.13 0.83 -0.28 0.00 -1.93 0.00 0.00 57.85 56.34 2ysx n ARG 54 Cb 0.54 -5.82 0.01 0.00 -1.16 0.00 0.00 32.46 26.04 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 -3.11 -4.45 -3.96 0.55 5.15 -1.26 -4.96 115.26 103.23 2ysx n ASN 55 Ca -0.25 -0.63 -0.09 0.00 -0.60 0.00 0.00 54.58 53.01 2ysx n ASN 55 Cb 0.66 -3.60 -0.11 0.00 -0.53 0.00 0.00 39.78 36.20 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 -1.53 4.07 -0.45 0.00 1.01 -1.26 -1.16 120.40 121.08 2ysx s VAL 57 Ca -0.15 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 2ysx s VAL 57 Cb -0.09 -2.97 0.07 0.00 0.00 0.00 0.00 36.38 33.39 2ysx s VAL 57 CO -0.01 0.26 0.35 -0.31 0.00 0.00 0.00 175.10 175.39 2ysx s TYR 58 N 1.56 3.26 0.02 5.22 1.51 0.54 -4.91 117.35 124.55 2ysx s TYR 58 Ca 0.05 -1.02 -0.22 0.00 -1.01 0.00 0.00 57.07 54.87 2ysx s TYR 58 Cb -0.16 -3.02 -0.05 0.00 -0.11 0.00 0.00 41.96 38.62 2ysx s TYR 58 CO 0.02 -0.78 0.65 0.99 -1.11 0.00 0.00 175.55 175.33 2ysx s THR 59 N 1.60 4.84 -0.26 -0.71 2.01 -1.26 -1.31 115.64 120.54 2ysx s THR 59 Ca 0.04 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.42 2ysx s THR 59 Cb -0.23 -3.99 0.07 0.00 0.01 0.00 0.00 72.50 68.36 2ysx s THR 59 CO 0.06 0.40 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.07 2ysx s TYR 60 N -0.18 2.47 0.14 4.92 2.02 0.00 -4.96 117.35 121.77 2ysx s TYR 60 Ca 0.33 -1.91 -0.30 0.00 -0.37 0.00 0.00 57.07 54.82 2ysx s TYR 60 Cb -0.19 -1.77 -0.07 0.00 -0.40 0.00 0.00 41.96 39.52 2ysx s TYR 60 CO 0.19 -0.81 1.19 1.03 -1.57 0.00 0.00 175.55 175.58 2ysx s ARG 61 N 1.36 4.48 -0.37 -0.62 0.52 -1.26 0.21 118.95 123.27 2ysx s ARG 61 Ca -0.01 1.82 0.01 0.00 -0.52 0.00 0.00 55.73 57.03 2ysx s ARG 61 Cb -0.19 -3.28 0.10 0.00 0.52 0.00 0.00 34.95 32.11 2ysx s ARG 61 CO -0.09 -0.13 0.11 0.42 0.02 0.00 0.00 175.30 175.64 2ysx s ILE 62 N 0.32 2.70 0.24 1.52 1.01 0.60 -3.36 121.20 124.22 2ysx s ILE 62 Ca 0.55 -2.23 -0.23 0.00 0.00 0.00 0.00 60.65 58.74 2ysx s ILE 62 Cb -0.31 -2.93 -0.09 0.00 0.01 0.00 0.00 42.46 39.15 2ysx s ILE 62 CO 0.34 -0.64 0.80 -0.76 0.00 0.00 0.00 174.94 174.68 2ysx s LEU 63 N 1.00 4.42 0.56 2.97 2.01 -1.26 -1.52 118.68 126.85 2ysx s LEU 63 Ca 0.10 1.61 -0.19 0.00 0.01 0.00 0.00 54.13 55.66 2ysx s LEU 63 Cb -0.21 -3.63 -0.05 0.00 0.01 0.00 0.00 46.19 42.31 2ysx s LEU 63 CO -0.06 0.05 1.13 -2.16 1.01 0.00 0.00 176.35 176.32 2ysx s PRO 64 N -1.76 3.29 0.58 1.29 0.04 -1.26 -4.11 135.00 133.08 2ysx s PRO 64 Ca 0.43 1.59 0.09 0.00 0.04 0.00 0.00 61.00 63.15 2ysx s PRO 64 Cb -0.19 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.44 2ysx s PRO 64 CO 0.23 -0.89 0.74 -1.71 0.04 0.00 0.00 177.00 175.41 2ysx n ASN 65 N -1.43 2.27 -0.22 6.66 5.15 -0.29 -4.87 115.26 122.53 2ysx n ASN 65 Ca 0.11 -2.63 0.03 0.00 -0.60 0.00 0.00 54.58 51.49 2ysx n ASN 65 Cb 0.51 -0.36 0.14 0.00 -0.53 0.00 0.00 39.78 39.54 2ysx n ASN 65 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2ysx h GLU 66 N 0.00 0.28 -1.15 1.20 5.08 -1.97 0.15 114.58 118.16 2ysx h GLU 66 Ca -0.29 -0.02 -0.37 0.00 -1.00 0.00 0.00 59.36 57.69 2ysx h GLU 66 Cb 1.27 -0.06 -0.19 0.00 0.50 0.00 0.00 28.75 30.27 2ysx h GLU 66 CO 0.42 0.18 0.47 -0.25 -1.00 0.00 0.00 179.01 178.84 2ysx n ASP 67 N -5.12 4.82 -3.07 1.42 8.00 -1.26 -4.83 116.55 116.52 2ysx n ASP 67 Ca 0.11 -3.11 -0.20 0.00 0.71 0.00 0.00 54.79 52.30 2ysx n ASP 67 Cb 0.38 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 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 -0.32 -4.11 -4.81 -2.24 9.92 0.51 -4.93 116.55 110.57 2ysx n ASP 68 Ca 0.38 -0.22 -0.36 0.00 -0.53 0.00 0.00 54.79 54.07 2ysx n ASP 68 Cb 0.98 -3.41 -0.06 0.00 -0.64 0.00 0.00 41.12 37.99 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 -5.70 4.28 -0.46 -1.24 -0.14 -1.25 -4.67 119.74 110.56 2ysx s LYS 69 Ca 0.28 0.95 -0.15 0.00 -1.36 0.00 0.00 55.97 55.68 2ysx s LYS 69 Cb -0.14 -2.77 0.07 0.00 -1.68 0.00 0.00 37.83 33.30 2ysx s LYS 69 CO 0.34 0.32 0.37 -0.06 -0.76 0.00 0.00 175.35 175.57 2ysx s PHE 70 N -1.63 3.25 -0.19 3.18 0.08 -0.86 -1.14 117.98 120.66 2ysx s PHE 70 Ca 0.47 -0.94 -0.01 0.00 0.12 0.00 0.00 56.93 56.57 2ysx s PHE 70 Cb -0.16 -3.09 0.05 0.00 -0.57 0.00 0.00 43.02 39.25 2ysx s PHE 70 CO 0.21 -0.78 -0.03 0.95 -0.10 0.00 0.00 175.22 175.46 2ysx s THR 71 N 1.63 1.12 0.09 0.64 -4.23 -1.26 -3.99 115.64 109.64 2ysx s THR 71 Ca 0.04 -0.80 -0.32 0.00 -1.18 0.00 0.00 61.69 59.43 2ysx s THR 71 Cb -0.24 -1.39 -0.12 0.00 1.34 0.00 0.00 72.50 72.09 2ysx s THR 71 CO 0.07 -0.01 1.78 0.52 -0.54 0.00 0.00 174.62 176.43 2ysx n VAL 72 N 4.85 0.31 -3.01 2.29 0.31 -1.26 -4.31 118.33 117.51 2ysx n VAL 72 Ca -0.11 -0.06 -0.44 0.00 -0.01 0.00 0.00 64.34 63.72 2ysx n VAL 72 Cb 0.46 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.45 2ysx n VAL 72 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2ysx s GLN 73 N 2.52 3.84 -0.27 5.55 -0.21 -1.21 -4.74 119.66 125.13 2ysx s GLN 73 Ca 0.83 -2.27 -0.13 0.00 0.02 0.00 0.00 55.36 53.81 2ysx s GLN 73 Cb -0.57 -4.89 -0.14 0.00 1.00 0.00 0.00 33.01 28.41 2ysx s GLN 73 CO 0.40 -1.68 -0.27 0.00 -2.12 0.00 0.00 175.29 171.62 2ysx n ALA 74 N 5.62 1.17 -3.19 6.09 0.00 -1.26 -4.83 120.51 124.11 2ysx n ALA 74 Ca 0.28 -1.03 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 2ysx n ALA 74 Cb 0.46 0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 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 -7.34 -0.27 -0.02 0.00 0.01 -1.26 -5.13 113.70 99.69 2ysx s SER 75 Ca -0.37 0.46 -0.09 0.00 1.31 0.00 0.00 55.95 57.26 2ysx s SER 75 Cb 0.13 0.53 -0.05 0.00 0.21 0.00 0.00 66.02 66.85 2ysx s SER 75 CO 0.52 -0.18 0.29 -1.83 0.41 0.00 0.00 173.24 172.45 2ysx s GLU 76 N -0.18 3.66 0.00 12.44 -1.05 -1.26 -4.41 118.70 127.90 2ysx s GLU 76 Ca -0.03 0.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 2ysx s GLU 76 Cb -0.03 -3.14 0.00 0.00 -0.44 0.00 0.00 34.13 30.52 2ysx s GLU 76 CO 0.01 0.68 0.00 0.41 0.95 0.00 0.00 175.26 177.32 2ysx n GLY 77 N 1.51 3.17 3.63 -3.83 0.00 -1.26 -5.05 105.19 103.36 2ysx n GLY 77 Ca -0.14 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 2ysx n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ysx s VAL 78 N -0.19 4.18 -0.97 1.61 1.01 -1.26 -4.87 120.40 119.91 2ysx s VAL 78 Ca 0.00 1.35 -0.19 0.00 0.00 0.00 0.00 61.98 63.14 2ysx s VAL 78 Cb 0.00 -4.16 -0.27 0.00 0.00 0.00 0.00 36.38 31.95 2ysx s VAL 78 CO 0.00 -0.44 2.40 -1.20 0.00 0.00 0.00 175.10 175.85 2ysx n SER 79 N 7.46 -0.46 -4.87 3.32 7.64 -1.26 -4.86 113.62 120.60 2ysx n SER 79 Ca 0.14 -0.30 -0.31 0.00 1.01 0.00 0.00 58.87 59.42 2ysx n SER 79 Cb 0.46 -0.78 -0.04 0.00 -1.01 0.00 0.00 64.21 62.85 2ysx n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ysx s MET 80 N 7.95 3.84 0.45 1.43 0.00 -1.26 -5.08 119.30 126.63 2ysx s MET 80 Ca 1.30 0.59 0.00 0.00 0.00 0.00 0.00 55.69 57.58 2ysx s MET 80 Cb -0.96 -2.35 -0.00 0.00 0.00 0.00 0.00 34.83 31.52 2ysx s MET 80 CO 0.50 -0.06 0.67 1.03 0.00 0.00 0.00 175.02 177.17 2ysx s ARG 81 N -3.78 3.06 0.14 3.16 1.81 -1.26 -5.12 118.95 116.96 2ysx s ARG 81 Ca 0.53 -0.48 0.06 0.00 -1.72 0.00 0.00 55.73 54.11 2ysx s ARG 81 Cb -0.10 -2.55 -0.04 0.00 -0.45 0.00 0.00 34.95 31.80 2ysx s ARG 81 CO 0.29 -0.28 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.45 2ysx s PHE 82 N -2.56 1.39 -0.19 -0.53 0.40 -1.26 -4.80 117.98 110.43 2ysx s PHE 82 Ca 0.48 -0.61 -0.13 0.00 -0.60 0.00 0.00 56.93 56.08 2ysx s PHE 82 Cb -0.10 -0.71 0.06 0.00 0.51 0.00 0.00 43.02 42.78 2ysx s PHE 82 CO 0.38 0.15 0.48 -0.06 0.70 0.00 0.00 175.22 176.88 2ysx s PHE 83 N -2.51 -0.65 0.12 0.36 0.40 -1.26 -5.02 117.98 109.42 2ysx s PHE 83 Ca 0.12 1.43 -0.13 0.00 -0.60 0.00 0.00 56.93 57.75 2ysx s PHE 83 Cb -0.03 0.29 -0.07 0.00 0.51 0.00 0.00 43.02 43.73 2ysx s PHE 83 CO 0.03 -0.34 1.43 0.00 0.70 0.00 0.00 175.22 177.04 2ysx h THR 84 N 5.02 1.29 -2.82 0.64 1.03 -1.90 -2.29 112.91 113.87 2ysx h THR 84 Ca -0.32 -1.53 -0.65 0.00 -0.01 0.00 0.00 66.41 63.90 2ysx h THR 84 Cb 1.19 1.52 -0.08 0.00 -1.07 0.00 0.00 68.15 69.71 2ysx h THR 84 CO 0.24 0.50 -0.44 -0.54 -0.01 0.00 0.00 175.52 175.26 2ysx s LYS 85 N -4.34 3.66 0.30 0.00 1.02 -1.26 -4.65 119.74 114.48 2ysx s LYS 85 Ca -0.12 -0.08 -0.00 0.00 0.02 0.00 0.00 55.97 55.79 2ysx s LYS 85 Cb 0.10 -3.25 0.51 0.00 -0.52 0.00 0.00 37.83 34.67 2ysx s LYS 85 CO 0.86 0.66 1.94 1.25 -0.92 0.00 0.00 175.35 179.14 2ysx h LEU 86 N 5.33 0.91 -0.57 3.17 7.12 -1.95 -2.06 115.31 127.26 2ysx h LEU 86 Ca -0.52 -0.01 -0.05 0.00 0.13 0.00 0.00 57.88 57.44 2ysx h LEU 86 Cb 1.21 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 41.11 2ysx h LEU 86 CO 0.62 0.62 0.17 -0.78 -0.13 0.00 0.00 178.44 178.94 2ysx h ASP 87 N 1.05 0.84 0.29 1.25 3.58 -1.97 -1.68 116.42 119.78 2ysx h ASP 87 Ca 0.35 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2ysx h ASP 87 Cb 0.06 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2ysx h ASP 87 CO -0.11 0.83 0.00 0.00 -2.88 0.00 0.00 179.24 177.09 2ysx n GLN 88 N -4.42 0.06 -0.07 0.28 1.13 -0.80 -1.73 117.38 111.84 2ysx n GLN 88 Ca 0.03 0.44 -0.10 0.00 -1.94 0.00 0.00 57.00 55.43 2ysx n GLN 88 Cb 0.21 -1.65 -0.15 0.00 0.11 0.00 0.00 30.24 28.76 2ysx n GLN 88 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2ysx n LEU 89 N -1.78 0.44 0.19 1.08 0.00 -0.69 -4.08 117.00 112.16 2ysx n LEU 89 Ca 0.01 0.18 -0.11 0.00 0.00 0.00 0.00 56.01 56.09 2ysx n LEU 89 Cb 0.10 0.32 -0.06 0.00 0.00 0.00 0.00 43.42 43.78 2ysx n LEU 89 CO 0.09 0.46 0.36 0.40 0.00 0.00 0.00 177.39 178.71 2ysx h ILE 90 N 0.00 0.33 -1.03 1.96 1.08 -0.74 -2.22 117.51 116.89 2ysx h ILE 90 Ca -0.44 -0.65 0.26 0.00 -0.39 0.00 0.00 64.86 63.64 2ysx h ILE 90 Cb 2.14 0.52 -0.11 0.00 -3.07 0.00 0.00 36.82 36.31 2ysx h ILE 90 CO 0.05 0.07 0.65 1.05 -0.69 0.00 0.00 178.15 179.28 2ysx h GLU 91 N -1.02 0.45 0.00 2.37 4.11 -1.72 0.93 114.58 119.70 2ysx h GLU 91 Ca -0.05 -0.03 -0.12 0.00 0.07 0.00 0.00 59.36 59.23 2ysx h GLU 91 Cb 0.52 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2ysx h GLU 91 CO 0.09 0.30 -0.57 0.35 0.07 0.00 0.00 179.01 179.24 2ysx h PHE 92 N 0.46 0.00 0.00 2.06 3.57 -1.70 -3.02 116.94 118.31 2ysx h PHE 92 Ca 0.62 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.12 2ysx h PHE 92 Cb 1.42 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.16 2ysx h PHE 92 CO -0.00 0.57 -0.82 1.88 -2.23 0.00 0.00 178.31 177.71 2ysx h TYR 93 N 0.00 0.00 0.00 0.41 -1.99 0.10 -3.31 116.97 112.18 2ysx h TYR 93 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2ysx h TYR 93 Cb 1.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.81 2ysx h TYR 93 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 2ysx n LYS 94 N -2.71 0.02 -3.42 4.88 5.02 0.26 -4.39 118.16 117.81 2ysx n LYS 94 Ca 0.01 0.50 -0.24 0.00 -2.02 0.00 0.00 58.31 56.56 2ysx n LYS 94 Cb 0.54 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 2ysx n LYS 94 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2ysx s LYS 95 N -3.07 3.50 0.62 1.97 1.02 -1.25 -4.33 119.74 118.21 2ysx s LYS 95 Ca 0.00 -0.32 0.26 0.00 0.02 0.00 0.00 55.97 55.93 2ysx s LYS 95 Cb 0.01 -2.68 1.29 0.00 -0.52 0.00 0.00 37.83 35.93 2ysx s LYS 95 CO 0.04 0.18 1.73 1.05 -0.92 0.00 0.00 175.35 177.43 2ysx h GLU 96 N 0.96 0.00 -5.32 1.68 4.11 -1.91 -3.28 114.58 110.81 2ysx h GLU 96 Ca -0.49 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.25 2ysx h GLU 96 Cb 1.21 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 2ysx h GLU 96 CO 0.62 0.00 1.42 -0.80 0.07 0.00 0.00 179.01 180.32 2ysx s ASN 97 N -4.49 6.79 -0.30 3.06 0.01 -1.26 -4.86 114.94 113.89 2ysx s ASN 97 Ca -0.03 -2.32 -0.10 0.00 -0.71 0.00 0.00 52.86 49.70 2ysx s ASN 97 Cb 0.12 -2.47 0.17 0.00 0.41 0.00 0.00 41.25 39.47 2ysx s ASN 97 CO 0.39 -1.07 0.84 0.00 -1.51 0.00 0.00 177.10 175.75 2ysx s MET 98 N 3.10 0.39 -0.87 -0.60 0.23 -1.24 -4.64 119.30 115.68 2ysx s MET 98 Ca 0.43 0.86 -0.23 0.00 -1.03 0.00 0.00 55.69 55.72 2ysx s MET 98 Cb -0.01 0.50 -0.19 0.00 -1.53 0.00 0.00 34.83 33.60 2ysx s MET 98 CO -0.03 -0.27 2.14 0.41 -2.03 0.00 0.00 175.02 175.24 2ysx n GLY 99 N 5.29 -0.31 3.64 3.16 0.00 -1.26 -4.77 105.19 110.94 2ysx n GLY 99 Ca -0.07 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 13.50 0.52 0.23 0.99 1.43 -1.26 -4.80 118.68 129.30 2ysx s LEU 100 Ca 0.83 -1.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2ysx s LEU 100 Cb -0.14 2.11 0.25 0.00 0.03 0.00 0.00 46.19 48.43 2ysx s LEU 100 CO 0.16 -1.46 1.59 1.62 0.23 0.00 0.00 176.35 178.49 2ysx h VAL 101 N 2.06 1.32 -2.11 -1.59 3.04 -1.96 -3.46 116.25 113.55 2ysx h VAL 101 Ca -0.30 -1.66 -0.06 0.00 -1.01 0.00 0.00 66.70 63.67 2ysx h VAL 101 Cb 1.24 1.69 -0.19 0.00 -2.01 0.00 0.00 31.29 32.03 2ysx h VAL 101 CO 0.39 0.51 0.17 0.28 -1.01 0.00 0.00 177.57 177.91 2ysx s THR 102 N -4.10 0.00 -0.10 3.17 -1.32 -1.26 -5.10 115.64 106.93 2ysx s THR 102 Ca -0.06 -0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.10 2ysx s THR 102 Cb 0.12 -0.98 -0.03 0.00 -1.51 0.00 0.00 72.50 70.10 2ysx s THR 102 CO 0.81 -0.01 1.31 -1.38 -2.21 0.00 0.00 174.62 173.14 2ysx s HIS 103 N -1.36 2.83 0.36 9.09 -3.43 -1.26 -4.95 115.29 116.57 2ysx s HIS 103 Ca -0.10 0.94 -0.17 0.00 -0.80 0.00 0.00 55.06 54.93 2ysx s HIS 103 Cb -0.00 -3.55 -0.13 0.00 -1.43 0.00 0.00 32.58 27.47 2ysx s HIS 103 CO 0.08 -1.95 0.03 1.28 -2.00 0.00 0.00 174.74 172.18 2ysx n LEU 104 N 6.16 -2.60 0.05 5.38 4.77 -1.26 -4.93 117.00 124.58 2ysx n LEU 104 Ca 0.13 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 2ysx n LEU 104 Cb 0.45 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2ysx n LEU 104 CO 0.57 -3.67 -0.12 0.00 -1.33 0.00 0.00 177.39 172.84 2ysx n GLN 105 N 1.16 0.00 -3.84 3.23 6.02 -0.73 -4.87 117.38 118.35 2ysx n GLN 105 Ca 0.09 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.82 2ysx n GLN 105 Cb 0.35 -0.22 -0.17 0.00 1.02 0.00 0.00 30.24 31.22 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 1.13 -0.91 1.08 2.02 -0.82 -5.06 117.35 112.79 2ysx s TYR 106 Ca 0.00 -0.53 -0.25 0.00 -0.37 0.00 0.00 57.07 55.93 2ysx s TYR 106 Cb 0.00 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.47 2ysx s TYR 106 CO 0.00 -0.45 1.95 -1.25 -1.57 0.00 0.00 175.55 174.23 2ysx s PRO 107 N 1.82 2.55 -0.36 -1.71 0.04 -1.26 -3.95 135.00 132.14 2ysx s PRO 107 Ca 0.04 -0.31 -0.44 0.00 0.04 0.00 0.00 61.00 60.34 2ysx s PRO 107 Cb -0.13 -5.07 -0.19 0.00 0.04 0.00 0.00 34.50 29.16 2ysx s PRO 107 CO -0.07 -3.39 1.55 1.33 0.04 0.00 0.00 177.00 176.46 2ysx n VAL 108 N 7.88 0.07 -1.16 -0.36 0.24 -1.23 -4.76 118.33 119.01 2ysx n VAL 108 Ca 0.40 -0.01 -0.29 0.00 -2.04 0.00 0.00 64.34 62.40 2ysx n VAL 108 Cb 0.47 -0.61 0.18 0.00 -1.47 0.00 0.00 33.84 32.41 2ysx n VAL 108 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2ysx s PRO 109 N 2.63 0.34 1.07 7.34 0.04 -1.26 -4.37 135.00 140.80 2ysx s PRO 109 Ca 1.01 0.50 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 2ysx s PRO 109 Cb -1.35 -1.73 0.23 0.00 0.04 0.00 0.00 34.50 31.69 2ysx s PRO 109 CO 0.74 -2.79 1.09 -0.51 0.04 0.00 0.00 177.00 175.57 2ysx s LEU 110 N -6.49 1.23 -0.59 -3.56 1.43 -1.25 -5.00 118.68 104.45 2ysx s LEU 110 Ca 0.65 1.07 -0.06 0.00 -1.03 0.00 0.00 54.13 54.76 2ysx s LEU 110 Cb -0.19 -3.10 0.15 0.00 0.03 0.00 0.00 46.19 43.09 2ysx s LEU 110 CO 0.58 -3.52 0.44 -0.70 0.23 0.00 0.00 176.35 173.38 2ysx s GLU 111 N -5.02 2.64 -0.21 1.70 2.12 -1.26 -5.01 118.70 113.66 2ysx s GLU 111 Ca 0.67 -2.26 -0.05 0.00 0.36 0.00 0.00 54.97 53.70 2ysx s GLU 111 Cb -0.17 -3.87 0.07 0.00 0.26 0.00 0.00 34.13 30.42 2ysx s GLU 111 CO 0.58 -1.18 0.11 -1.83 -0.54 0.00 0.00 175.26 172.39 2ysx s GLU 112 N 0.45 0.10 0.30 4.30 -1.05 -1.26 -5.14 118.70 116.40 2ysx s GLU 112 Ca 0.13 -0.21 0.04 0.00 -0.15 0.00 0.00 54.97 54.79 2ysx s GLU 112 Cb -0.20 -1.61 -0.02 0.00 -0.44 0.00 0.00 34.13 31.85 2ysx s GLU 112 CO -0.04 -0.78 0.45 -2.00 0.95 0.00 0.00 175.26 173.84 2ysx s GLU 113 N 2.13 3.36 0.13 -4.83 2.12 -1.26 -5.12 118.70 115.23 2ysx s GLU 113 Ca 0.04 -0.69 0.08 0.00 0.36 0.00 0.00 54.97 54.76 2ysx s GLU 113 Cb -0.16 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2ysx s GLU 113 CO -0.17 0.24 -0.20 0.16 -0.54 0.00 0.00 175.26 174.75 2ysx s ASP 114 N -4.05 2.63 0.19 -1.70 -4.77 -1.26 -5.05 116.67 102.67 2ysx s ASP 114 Ca 0.39 -0.77 -0.13 0.00 -3.30 0.00 0.00 52.55 48.73 2ysx s ASP 114 Cb -0.09 -0.15 0.20 0.00 -1.09 0.00 0.00 42.92 41.79 2ysx s ASP 114 CO 0.32 0.02 1.69 0.74 0.70 0.00 0.00 175.17 178.64 2ysx h THR 115 N 3.67 0.64 0.00 2.11 2.02 -2.05 -3.45 112.91 115.84 2ysx h THR 115 Ca -0.44 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2ysx h THR 115 Cb 1.19 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2ysx h THR 115 CO 0.45 0.03 0.00 0.61 0.37 0.00 0.00 175.52 176.98 2ysx n GLY 116 N -1.31 -0.72 3.31 2.16 0.00 -1.26 -5.16 105.19 102.22 2ysx n GLY 116 Ca 0.06 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 -0.24 -0.29 1.61 -4.77 -1.26 -5.17 116.67 104.55 2ysx s ASP 117 Ca 0.00 -0.17 -0.15 0.00 -3.30 0.00 0.00 52.55 48.93 2ysx s ASP 117 Cb 0.00 0.44 0.14 0.00 -1.09 0.00 0.00 42.92 42.41 2ysx s ASP 117 CO 0.00 -0.75 0.90 1.51 0.70 0.00 0.00 175.17 177.54 2ysx s ASP 118 N -2.38 -0.66 0.00 2.11 -4.77 -1.26 -5.16 116.67 104.55 2ysx s ASP 118 Ca -0.01 1.00 0.16 0.00 -3.30 0.00 0.00 52.55 50.39 2ysx s ASP 118 Cb 0.01 1.47 0.93 0.00 -1.09 0.00 0.00 42.92 44.24 2ysx s ASP 118 CO -0.07 -0.15 1.34 -0.81 0.70 0.00 0.00 175.17 176.18