#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jys s LYS 2 N 0.00 3.03 -0.23 2.12 2.20 -1.26 -4.01 119.74 121.58 1jys s LYS 2 Ca 0.00 -0.85 -0.07 0.00 -0.36 0.00 0.00 55.97 54.69 1jys s LYS 2 Cb 0.00 -2.45 -0.03 0.00 -1.51 0.00 0.00 37.83 33.84 1jys s LYS 2 CO 0.00 -0.02 0.07 0.42 -0.36 0.00 0.00 175.35 175.45 1jys s ILE 3 N 0.84 4.40 0.06 5.43 1.01 -0.66 -0.12 121.20 132.15 1jys s ILE 3 Ca -0.06 -0.15 -0.21 0.00 0.00 0.00 0.00 60.65 60.22 1jys s ILE 3 Cb -0.15 -3.04 -0.06 0.00 0.01 0.00 0.00 42.46 39.22 1jys s ILE 3 CO -0.02 0.37 0.64 -0.83 0.00 0.00 0.00 174.94 175.09 1jys s GLY 4 N 1.32 2.71 -0.12 6.18 0.00 0.21 -2.04 107.32 115.57 1jys s GLY 4 Ca 0.05 0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.89 1jys s GLY 4 CO 0.03 0.72 -0.12 -0.42 0.00 0.00 0.00 173.10 173.31 1jys s ILE 5 N -0.64 1.33 -0.23 0.90 1.01 0.72 -1.32 121.20 122.98 1jys s ILE 5 Ca 0.32 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1jys s ILE 5 Cb -0.20 -1.27 0.05 0.00 0.01 0.00 0.00 42.46 41.05 1jys s ILE 5 CO 0.20 0.42 -0.13 -0.63 0.00 0.00 0.00 174.94 174.80 1jys s ILE 6 N 1.38 2.02 -0.04 2.92 1.01 -0.47 -0.96 121.20 127.06 1jys s ILE 6 Ca 0.01 -1.33 0.07 0.00 0.00 0.00 0.00 60.65 59.39 1jys s ILE 6 Cb -0.13 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1jys s ILE 6 CO -0.07 0.14 -0.24 -0.83 0.00 0.00 0.00 174.94 173.95 1jys s GLY 7 N 1.22 1.31 0.13 6.18 0.00 -0.61 -0.91 107.32 114.64 1jys s GLY 7 Ca -0.04 -1.08 0.23 0.00 0.00 0.00 0.00 44.72 43.83 1jys s GLY 7 CO -0.08 -0.82 1.07 0.00 0.00 0.00 0.00 173.10 173.26 1jys n ALA 8 N 2.57 2.87 -2.53 3.20 0.00 -0.53 -0.80 120.51 125.30 1jys n ALA 8 Ca -0.17 -0.30 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 1jys n ALA 8 Cb 0.51 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 1jys n ALA 8 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jys s MET 9 N -3.28 3.38 0.28 0.00 -1.94 -1.26 -4.83 119.30 111.64 1jys s MET 9 Ca 0.02 -0.23 0.02 0.00 -1.71 0.00 0.00 55.69 53.79 1jys s MET 9 Cb 0.12 -3.92 0.64 0.00 2.01 0.00 0.00 34.83 33.67 1jys s MET 9 CO 0.78 -1.00 1.74 1.49 -0.01 0.00 0.00 175.02 178.03 1jys h GLU 10 N 8.84 0.54 -0.25 2.03 4.81 -2.00 -0.48 114.58 128.06 1jys h GLU 10 Ca -0.25 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 1jys h GLU 10 Cb 1.09 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1jys h GLU 10 CO 0.90 0.36 -0.18 1.49 -0.73 0.00 0.00 179.01 180.86 1jys h GLU 11 N 0.56 0.44 -0.35 1.92 4.81 -1.95 -0.82 114.58 119.19 1jys h GLU 11 Ca 0.52 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.50 1jys h GLU 11 Cb 0.85 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1jys h GLU 11 CO -0.43 0.61 -0.21 1.49 -0.73 0.00 0.00 179.01 179.74 1jys h GLU 12 N 0.40 0.77 -0.66 1.92 4.81 -1.31 -1.07 114.58 119.44 1jys h GLU 12 Ca 0.07 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 1jys h GLU 12 Cb 0.54 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1jys h GLU 12 CO 0.04 0.97 0.25 0.28 -0.73 0.00 0.00 179.01 179.82 1jys h VAL 13 N 0.55 1.23 -0.17 0.32 2.07 -0.93 -1.04 116.25 118.29 1jys h VAL 13 Ca 0.07 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 1jys h VAL 13 Cb 0.76 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1jys h VAL 13 CO 0.06 0.30 -0.07 0.74 0.02 0.00 0.00 177.57 178.62 1jys h THR 14 N 0.96 1.31 -0.49 2.57 2.02 -1.02 0.17 112.91 118.42 1jys h THR 14 Ca 0.22 -1.10 0.04 0.00 0.77 0.00 0.00 66.41 66.34 1jys h THR 14 Cb 0.20 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 1jys h THR 14 CO -0.02 0.33 0.25 -0.07 0.37 0.00 0.00 175.52 176.38 1jys h LEU 15 N 0.04 0.36 -0.31 2.58 3.38 -0.97 -0.93 115.31 119.46 1jys h LEU 15 Ca 0.04 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1jys h LEU 15 Cb 0.54 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1jys h LEU 15 CO 0.02 0.25 -0.35 -0.07 0.09 0.00 0.00 178.44 178.39 1jys h LEU 16 N 0.49 0.84 -0.55 1.67 3.38 -1.14 -3.12 115.31 116.88 1jys h LEU 16 Ca 0.21 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1jys h LEU 16 Cb 0.12 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1jys h LEU 16 CO -0.15 1.15 0.29 -0.09 0.09 0.00 0.00 178.44 179.73 1jys h ARG 17 N 0.54 0.55 0.00 1.13 2.43 -0.33 -1.54 114.38 117.15 1jys h ARG 17 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1jys h ARG 17 Cb 0.93 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1jys h ARG 17 CO 0.08 0.36 0.00 -0.44 -1.51 0.00 0.00 179.97 178.47 1jys h ASP 18 N 0.56 0.00 0.40 -3.80 3.45 -1.18 -2.35 116.42 113.50 1jys h ASP 18 Ca 0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.70 1jys h ASP 18 Cb 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1jys h ASP 18 CO -0.15 0.00 -0.63 0.29 -1.57 0.00 0.00 179.24 177.17 1jys n LYS 19 N -2.97 0.02 -2.30 3.56 5.02 -0.61 -4.91 118.16 115.97 1jys n LYS 19 Ca -0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1jys n LYS 19 Cb 0.19 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1jys n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jys s ILE 20 N -3.01 3.60 0.17 -0.18 1.01 -0.89 -4.66 121.20 117.25 1jys s ILE 20 Ca 0.10 1.19 -0.08 0.00 0.00 0.00 0.00 60.65 61.86 1jys s ILE 20 Cb 0.17 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 1jys s ILE 20 CO 0.74 0.12 0.46 -1.61 0.00 0.00 0.00 174.94 174.65 1jys s GLU 21 N 0.75 3.73 -1.46 2.79 0.41 0.51 -4.19 118.70 121.23 1jys s GLU 21 Ca 0.60 0.12 -0.10 0.00 -0.41 0.00 0.00 54.97 55.18 1jys s GLU 21 Cb -0.33 -2.78 0.06 0.00 -1.78 0.00 0.00 34.13 29.30 1jys s GLU 21 CO 0.32 0.41 0.90 0.09 -0.49 0.00 0.00 175.26 176.48 1jys n ASN 22 N 0.10 -3.70 -4.72 -0.19 3.02 -1.26 -1.74 115.26 106.77 1jys n ASN 22 Ca -0.02 -0.79 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 1jys n ASN 22 Cb 0.52 -3.93 -0.03 0.00 -0.61 0.00 0.00 39.78 35.73 1jys n ASN 22 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1jys s ARG 23 N -6.44 4.19 0.04 3.52 3.52 -1.26 -4.47 118.95 118.06 1jys s ARG 23 Ca 0.46 2.42 0.08 0.00 -0.13 0.00 0.00 55.73 58.56 1jys s ARG 23 Cb -0.23 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1jys s ARG 23 CO 0.83 -0.63 -0.23 -0.65 -0.81 0.00 0.00 175.30 173.80 1jys s GLN 24 N 1.01 1.59 -0.16 5.12 -1.52 -0.23 -4.96 119.66 120.51 1jys s GLN 24 Ca 0.70 -1.01 0.01 0.00 -1.95 0.00 0.00 55.36 53.11 1jys s GLN 24 Cb -0.45 -1.72 0.00 0.00 -0.22 0.00 0.00 33.01 30.62 1jys s GLN 24 CO 0.33 0.44 -0.17 0.99 -0.25 0.00 0.00 175.29 176.63 1jys s THR 25 N -0.79 2.49 -0.19 -0.19 2.01 -1.26 -1.21 115.64 116.50 1jys s THR 25 Ca 0.09 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 1jys s THR 25 Cb -0.09 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 1jys s THR 25 CO 0.02 0.52 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.81 1jys s ILE 26 N 0.88 3.70 -0.29 1.82 1.01 0.79 -4.94 121.20 124.18 1jys s ILE 26 Ca -0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 1jys s ILE 26 Cb -0.15 -2.66 0.03 0.00 0.01 0.00 0.00 42.46 39.69 1jys s ILE 26 CO -0.02 0.45 0.01 -0.55 0.00 0.00 0.00 174.94 174.83 1jys s SER 27 N 0.95 4.80 -0.00 3.58 0.15 -1.26 0.04 113.70 121.96 1jys s SER 27 Ca 0.00 -0.98 -0.01 0.00 0.70 0.00 0.00 55.95 55.67 1jys s SER 27 Cb -0.15 -1.76 -0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1jys s SER 27 CO 0.01 -0.21 0.01 -0.76 1.20 0.00 0.00 173.24 173.50 1jys s LEU 28 N 1.36 2.00 -1.19 3.45 1.43 -0.32 -4.88 118.68 120.53 1jys s LEU 28 Ca -0.01 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1jys s LEU 28 Cb -0.18 0.08 0.10 0.00 0.03 0.00 0.00 46.19 46.22 1jys s LEU 28 CO -0.01 -0.08 0.42 0.61 0.23 0.00 0.00 176.35 177.52 1jys n GLY 29 N 2.71 -0.47 2.13 -3.19 0.00 -1.26 0.48 105.19 105.60 1jys n GLY 29 Ca -0.15 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1jys n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jys n GLY 30 N -1.01 0.52 3.49 -0.02 0.00 -1.26 -5.01 105.19 101.90 1jys n GLY 30 Ca 0.02 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 1jys n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jys s GLU 32 N -3.13 2.85 -0.12 0.00 2.02 -1.26 -1.17 118.70 117.89 1jys s GLU 32 Ca 0.26 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1jys s GLU 32 Cb -0.07 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.77 1jys s GLU 32 CO 0.14 -0.08 -0.12 0.42 0.02 0.00 0.00 175.26 175.64 1jys s ILE 33 N 1.00 3.19 -0.18 -1.63 1.01 0.11 -4.45 121.20 120.25 1jys s ILE 33 Ca -0.03 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 1jys s ILE 33 Cb -0.15 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1jys s ILE 33 CO -0.05 0.54 0.04 -0.31 0.00 0.00 0.00 174.94 175.15 1jys s TYR 34 N 0.11 3.19 0.20 3.97 2.02 -0.10 -0.15 117.35 126.59 1jys s TYR 34 Ca -0.05 -0.03 0.09 0.00 -0.37 0.00 0.00 57.07 56.70 1jys s TYR 34 Cb -0.15 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 1jys s TYR 34 CO 0.04 0.09 -0.17 0.95 -1.57 0.00 0.00 175.55 174.89 1jys s THR 35 N 0.43 1.90 -5.00 -0.71 -4.23 -0.35 -0.05 115.64 107.63 1jys s THR 35 Ca 0.02 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1jys s THR 35 Cb -0.13 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.73 1jys s THR 35 CO 0.01 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1jys n GLY 36 N -0.07 0.15 3.41 3.99 0.00 -1.12 -1.07 105.19 110.49 1jys n GLY 36 Ca -0.10 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 1jys n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jys s GLN 37 N -2.00 2.45 -0.37 1.61 1.11 -0.71 -0.88 119.66 120.87 1jys s GLN 37 Ca 0.00 -0.77 -0.06 0.00 0.01 0.00 0.00 55.36 54.54 1jys s GLN 37 Cb 0.00 -2.28 0.06 0.00 -1.01 0.00 0.00 33.01 29.78 1jys s GLN 37 CO 0.00 0.57 0.15 -1.17 0.01 0.00 0.00 175.29 174.84 1jys s LEU 38 N -0.60 4.65 -1.49 2.90 2.96 0.70 -0.36 118.68 127.44 1jys s LEU 38 Ca 0.09 -1.43 -0.12 0.00 -0.22 0.00 0.00 54.13 52.44 1jys s LEU 38 Cb -0.11 -1.87 0.07 0.00 0.50 0.00 0.00 46.19 44.78 1jys s LEU 38 CO 0.01 -0.41 1.04 0.59 -1.32 0.00 0.00 176.35 176.25 1jys n ASN 39 N 4.77 -5.21 0.00 3.68 3.02 -1.26 -1.81 115.26 118.44 1jys n ASN 39 Ca -0.10 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1jys n ASN 39 Cb 0.43 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 1jys n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jys n GLY 40 N -1.78 2.00 3.79 7.41 0.00 -1.26 -5.03 105.19 110.32 1jys n GLY 40 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1jys n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jys s THR 41 N -2.36 5.41 0.17 2.61 2.01 -0.75 -4.98 115.64 117.75 1jys s THR 41 Ca 0.00 0.28 -0.31 0.00 0.31 0.00 0.00 61.69 61.97 1jys s THR 41 Cb 0.00 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 1jys s THR 41 CO 0.00 0.50 1.46 -1.61 -0.69 0.00 0.00 174.62 174.28 1jys s GLU 42 N -0.16 4.28 0.13 4.92 0.41 -1.26 -0.22 118.70 126.80 1jys s GLU 42 Ca 0.12 2.23 0.01 0.00 -0.41 0.00 0.00 54.97 56.92 1jys s GLU 42 Cb -0.12 -3.18 -0.04 0.00 -1.78 0.00 0.00 34.13 29.01 1jys s GLU 42 CO 0.02 -0.48 -0.00 0.14 -0.49 0.00 0.00 175.26 174.45 1jys s VAL 43 N 0.79 0.46 -0.11 2.63 -7.23 -0.06 -1.65 120.40 115.23 1jys s VAL 43 Ca 0.65 -1.93 -0.03 0.00 -1.81 0.00 0.00 61.98 58.86 1jys s VAL 43 Cb -0.40 -1.94 0.04 0.00 0.56 0.00 0.00 36.38 34.64 1jys s VAL 43 CO 0.34 -0.62 0.06 0.00 -0.31 0.00 0.00 175.10 174.57 1jys s ALA 44 N -3.79 0.48 -0.10 1.32 0.00 -0.87 -2.79 121.76 116.02 1jys s ALA 44 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1jys s ALA 44 Cb 0.07 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1jys s ALA 44 CO -0.00 -0.83 -0.09 -1.17 0.00 0.00 0.00 175.76 173.67 1jys s LEU 45 N 2.09 3.01 -0.05 0.00 2.96 0.93 -0.20 118.68 127.43 1jys s LEU 45 Ca 0.03 -0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 1jys s LEU 45 Cb -0.14 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.89 1jys s LEU 45 CO -0.06 0.28 0.13 -0.22 -1.32 0.00 0.00 176.35 175.16 1jys s LEU 46 N -0.32 1.51 -0.07 -0.68 2.96 -0.14 -0.93 118.68 121.02 1jys s LEU 46 Ca 0.04 0.25 -0.27 0.00 -0.22 0.00 0.00 54.13 53.92 1jys s LEU 46 Cb -0.13 0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.98 1jys s LEU 46 CO 0.02 -0.05 0.88 -0.75 -1.32 0.00 0.00 176.35 175.13 1jys s LYS 47 N 0.03 4.45 0.36 1.98 2.47 -1.26 -1.57 119.74 126.21 1jys s LYS 47 Ca -0.00 1.19 -0.28 0.00 -1.56 0.00 0.00 55.97 55.32 1jys s LYS 47 Cb -0.01 -3.49 -0.10 0.00 -1.46 0.00 0.00 37.83 32.77 1jys s LYS 47 CO 0.00 -0.12 1.35 0.45 0.16 0.00 0.00 175.35 177.20 1jys s SER 48 N 0.99 6.56 0.83 1.43 0.15 0.02 -4.89 113.70 118.79 1jys s SER 48 Ca 0.45 2.78 -0.12 0.00 0.70 0.00 0.00 55.95 59.75 1jys s SER 48 Cb -0.19 -2.65 0.09 0.00 -1.71 0.00 0.00 66.02 61.56 1jys s SER 48 CO 0.21 -0.69 1.16 -0.83 1.20 0.00 0.00 173.24 174.29 1jys s GLY 49 N -0.45 1.59 -0.23 9.45 0.00 -1.26 -4.87 107.32 111.55 1jys s GLY 49 Ca 0.52 -0.59 -0.10 0.00 0.00 0.00 0.00 44.72 44.54 1jys s GLY 49 CO 0.55 -0.09 0.15 -0.42 0.00 0.00 0.00 173.10 173.30 1jys s ILE 50 N -3.47 5.37 0.00 0.90 -1.09 -1.26 -4.26 121.20 117.39 1jys s ILE 50 Ca 0.62 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 1jys s ILE 50 Cb -0.12 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1jys s ILE 50 CO 0.50 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 175.20 1jys n GLY 51 N 4.07 0.47 0.10 6.18 0.00 -1.26 -4.27 105.19 110.49 1jys n GLY 51 Ca -0.15 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 1jys n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jys h LYS 52 N 0.00 0.06 -0.35 1.61 1.57 -1.89 -1.84 116.57 115.73 1jys h LYS 52 Ca 0.00 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1jys h LYS 52 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1jys h LYS 52 CO 0.00 0.04 -0.26 0.28 -0.57 0.00 0.00 179.45 178.94 1jys h VAL 53 N 0.06 1.29 -0.24 0.50 2.07 -1.94 -0.63 116.25 117.36 1jys h VAL 53 Ca 0.09 -1.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.09 1jys h VAL 53 Cb 0.12 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1jys h VAL 53 CO -0.16 0.46 -0.31 0.00 0.02 0.00 0.00 177.57 177.59 1jys h ALA 54 N 0.76 1.02 -0.32 1.67 0.00 -1.73 0.68 119.26 121.34 1jys h ALA 54 Ca 0.07 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1jys h ALA 54 Cb 0.83 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1jys h ALA 54 CO 0.07 0.59 -0.48 0.00 0.00 0.00 0.00 179.25 179.43 1jys h ALA 55 N 1.25 0.53 -0.54 0.00 0.00 -1.29 -2.62 119.26 116.59 1jys h ALA 55 Ca 0.05 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1jys h ALA 55 Cb 0.75 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1jys h ALA 55 CO 0.06 0.68 -0.02 0.00 0.00 0.00 0.00 179.25 179.97 1jys h ALA 56 N 0.75 0.95 0.41 0.00 0.00 -0.79 -1.64 119.26 118.93 1jys h ALA 56 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1jys h ALA 56 Cb 1.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1jys h ALA 56 CO 0.11 0.63 -0.21 1.25 0.00 0.00 0.00 179.25 181.03 1jys h LEU 57 N 0.85 -0.51 -0.44 0.00 6.46 -0.77 -0.40 115.31 120.52 1jys h LEU 57 Ca 0.15 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1jys h LEU 57 Cb 0.54 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 1jys h LEU 57 CO 0.03 -0.35 0.26 1.23 -0.62 0.00 0.00 178.44 178.99 1jys h GLY 58 N -0.57 0.64 1.06 3.75 0.00 -1.42 -2.02 103.07 104.51 1jys h GLY 58 Ca -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1jys h GLY 58 CO 0.08 0.26 0.54 0.00 0.00 0.00 0.00 176.54 177.42 1jys h ALA 59 N 1.11 1.23 -0.41 3.60 0.00 -1.21 -1.10 119.26 122.49 1jys h ALA 59 Ca 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jys h ALA 59 Cb 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1jys h ALA 59 CO -0.03 0.65 0.10 1.15 0.00 0.00 0.00 179.25 181.12 1jys h THR 60 N 1.26 1.23 -0.43 0.00 2.02 -0.83 -0.18 112.91 115.99 1jys h THR 60 Ca 0.33 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1jys h THR 60 Cb -0.04 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1jys h THR 60 CO -0.06 0.28 0.23 -0.07 0.37 0.00 0.00 175.52 176.26 1jys h LEU 61 N 0.52 0.55 -0.07 2.58 3.38 -1.01 -1.26 115.31 120.00 1jys h LEU 61 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1jys h LEU 61 Cb 0.31 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jys h LEU 61 CO 0.00 0.50 0.02 0.25 0.09 0.00 0.00 178.44 179.30 1jys h LEU 62 N 0.56 0.11 -0.94 1.67 6.46 -1.05 -0.33 115.31 121.79 1jys h LEU 62 Ca 0.15 -0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 1jys h LEU 62 Cb 0.08 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 1jys h LEU 62 CO -0.02 0.31 0.43 -0.07 -0.62 0.00 0.00 178.44 178.48 1jys h LEU 63 N -0.10 1.07 0.02 2.25 3.38 -0.96 -0.07 115.31 120.90 1jys h LEU 63 Ca 0.02 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 1jys h LEU 63 Cb 0.25 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 40.74 1jys h LEU 63 CO 0.00 0.88 -0.75 -0.08 0.09 0.00 0.00 178.44 178.58 1jys h GLU 64 N 1.19 0.46 0.13 1.13 4.57 -1.18 -1.65 114.58 119.22 1jys h GLU 64 Ca 0.29 -0.53 -0.29 0.00 -1.18 0.00 0.00 59.36 57.66 1jys h GLU 64 Cb 0.07 0.16 0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1jys h GLU 64 CO -0.04 1.18 -1.24 1.25 -1.18 0.00 0.00 179.01 178.98 1jys h HIS 65 N -0.03 0.79 0.00 0.92 2.76 -1.04 -3.37 115.15 115.19 1jys h HIS 65 Ca -0.10 -0.52 0.00 0.00 -2.20 0.00 0.00 60.37 57.55 1jys h HIS 65 Cb 1.46 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.36 1jys h HIS 65 CO 0.14 1.38 -1.44 0.00 -1.30 0.00 0.00 177.93 176.71 1jys n LYS 67 N -1.85 -0.74 -1.58 0.00 5.02 -0.62 -4.93 118.16 113.47 1jys n LYS 67 Ca -0.00 0.33 -0.30 0.00 -2.02 0.00 0.00 58.31 56.31 1jys n LYS 67 Cb 0.41 -2.31 0.07 0.00 -0.02 0.00 0.00 35.03 33.18 1jys n LYS 67 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1jys s PRO 68 N -6.46 2.47 0.10 1.97 0.04 -1.26 -4.94 135.00 126.92 1jys s PRO 68 Ca 0.29 0.76 0.12 0.00 0.04 0.00 0.00 61.00 62.21 1jys s PRO 68 Cb -0.16 -1.95 -0.15 0.00 0.04 0.00 0.00 34.50 32.27 1jys s PRO 68 CO 0.94 -1.38 1.08 -0.44 0.04 0.00 0.00 177.00 177.24 1jys h ASP 69 N -0.92 0.00 -5.18 6.66 3.32 -0.88 -3.48 116.42 115.95 1jys h ASP 69 Ca -0.46 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 1jys h ASP 69 Cb 1.24 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.66 1jys h ASP 69 CO 0.58 0.84 -0.32 0.68 -1.72 0.00 0.00 179.24 179.31 1jys s VAL 70 N -2.76 0.11 -0.07 -1.35 -7.23 -1.23 -4.19 120.40 103.68 1jys s VAL 70 Ca -0.01 -1.18 0.04 0.00 -1.81 0.00 0.00 61.98 59.02 1jys s VAL 70 Cb 0.09 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.55 1jys s VAL 70 CO 0.81 -0.50 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.29 1jys s ILE 71 N -3.89 1.56 -0.20 -0.62 -1.09 -0.49 -0.62 121.20 115.84 1jys s ILE 71 Ca 0.09 -0.75 -0.00 0.00 -2.23 0.00 0.00 60.65 57.76 1jys s ILE 71 Cb 0.04 -1.36 0.02 0.00 -1.58 0.00 0.00 42.46 39.58 1jys s ILE 71 CO -0.08 0.45 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.31 1jys s ILE 72 N 0.34 2.48 -0.26 2.92 1.01 -0.43 -2.00 121.20 125.26 1jys s ILE 72 Ca -0.12 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 1jys s ILE 72 Cb -0.15 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.22 1jys s ILE 72 CO 0.05 0.42 -0.05 0.21 0.00 0.00 0.00 174.94 175.57 1jys s ASN 73 N 1.32 4.41 0.32 3.58 3.04 -0.70 -1.37 114.94 125.54 1jys s ASN 73 Ca 0.03 -0.95 0.09 0.00 0.04 0.00 0.00 52.86 52.07 1jys s ASN 73 Cb -0.14 -1.67 -0.04 0.00 -1.54 0.00 0.00 41.25 37.86 1jys s ASN 73 CO -0.09 -0.15 0.07 0.42 -3.04 0.00 0.00 177.10 174.31 1jys s THR 74 N 1.30 3.11 -2.94 -5.21 -4.23 -0.08 -0.79 115.64 106.80 1jys s THR 74 Ca -0.01 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1jys s THR 74 Cb -0.17 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1jys s THR 74 CO -0.04 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1jys n GLY 75 N -1.04 -0.57 3.39 3.99 0.00 -1.04 -1.45 105.19 108.47 1jys n GLY 75 Ca -0.04 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 1jys n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jys s SER 76 N -4.00 2.60 0.15 1.61 1.04 -1.26 -1.42 113.70 112.42 1jys s SER 76 Ca 0.00 -1.12 -0.19 0.00 0.48 0.00 0.00 55.95 55.11 1jys s SER 76 Cb 0.00 -0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.03 1jys s SER 76 CO 0.00 -0.29 0.51 0.00 0.98 0.00 0.00 173.24 174.44 1jys s ALA 77 N -3.03 -1.25 0.09 5.32 0.00 -0.20 -4.79 121.76 117.89 1jys s ALA 77 Ca 0.26 0.20 -0.21 0.00 0.00 0.00 0.00 51.96 52.21 1jys s ALA 77 Cb 0.02 0.80 -0.07 0.00 0.00 0.00 0.00 23.12 23.87 1jys s ALA 77 CO 0.09 -0.72 0.63 0.20 0.00 0.00 0.00 175.76 175.97 1jys s GLY 78 N -2.78 2.74 0.18 0.00 0.00 -0.32 -1.64 107.32 105.49 1jys s GLY 78 Ca 0.02 0.12 -0.21 0.00 0.00 0.00 0.00 44.72 44.66 1jys s GLY 78 CO -0.12 0.59 0.70 -0.32 0.00 0.00 0.00 173.10 173.96 1jys s GLY 79 N -1.06 2.70 -0.10 0.20 0.00 0.16 -0.67 107.32 108.55 1jys s GLY 79 Ca 0.31 0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.23 1jys s GLY 79 CO 0.21 0.58 -0.07 1.04 0.00 0.00 0.00 173.10 174.86 1jys n LEU 80 N 1.12 2.41 -4.68 0.66 4.77 0.86 -1.26 117.00 120.87 1jys n LEU 80 Ca -0.05 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 1jys n LEU 80 Cb 0.50 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1jys n LEU 80 CO 0.44 0.58 1.28 0.00 -1.33 0.00 0.00 177.39 178.35 1jys s ALA 81 N -2.20 3.64 0.55 -1.18 0.00 -1.02 -4.85 121.76 116.70 1jys s ALA 81 Ca -0.12 1.04 0.25 0.00 0.00 0.00 0.00 51.96 53.14 1jys s ALA 81 Cb 0.03 -3.68 1.49 0.00 0.00 0.00 0.00 23.12 20.96 1jys s ALA 81 CO 0.25 -1.12 2.07 -1.35 0.00 0.00 0.00 175.76 175.61 1jys h PRO 82 N 8.48 0.00 -0.00 0.00 0.11 -1.93 -2.18 132.00 136.47 1jys h PRO 82 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1jys h PRO 82 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jys h PRO 82 CO 0.93 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.97 1jys n THR 83 N -4.15 0.00 -2.31 -1.15 -2.24 -1.26 -4.86 114.28 98.32 1jys n THR 83 Ca 0.04 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.50 1jys n THR 83 Cb 0.39 -0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1jys n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jys s LEU 84 N -1.91 3.48 0.05 3.22 1.43 -0.82 -5.09 118.68 119.04 1jys s LEU 84 Ca 0.43 1.22 0.02 0.00 -1.03 0.00 0.00 54.13 54.76 1jys s LEU 84 Cb 0.20 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 1jys s LEU 84 CO 0.33 -0.68 -0.07 -1.59 0.23 0.00 0.00 176.35 174.57 1jys s LYS 85 N -4.77 0.58 0.34 1.70 -2.85 -1.26 -4.96 119.74 108.52 1jys s LYS 85 Ca 0.52 -0.90 -0.28 0.00 -1.00 0.00 0.00 55.97 54.31 1jys s LYS 85 Cb -0.11 -0.22 -0.12 0.00 -2.06 0.00 0.00 37.83 35.32 1jys s LYS 85 CO 0.46 0.02 1.32 0.28 0.10 0.00 0.00 175.35 177.53 1jys n VAL 86 N 1.07 1.95 0.00 1.79 0.31 -1.26 -1.42 118.33 120.76 1jys n VAL 86 Ca -0.20 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1jys n VAL 86 Cb 0.56 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1jys n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jys n GLY 87 N 0.81 2.32 3.77 2.92 0.00 -0.15 -4.99 105.19 109.87 1jys n GLY 87 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1jys n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jys s ASP 88 N -1.45 5.10 -0.24 1.61 1.01 -0.51 -4.73 116.67 117.46 1jys s ASP 88 Ca 0.00 1.98 0.01 0.00 0.71 0.00 0.00 52.55 55.25 1jys s ASP 88 Cb 0.00 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.42 1jys s ASP 88 CO 0.00 -1.64 -0.12 -0.63 0.21 0.00 0.00 175.17 172.99 1jys s ILE 89 N -2.38 2.33 0.03 0.77 -1.09 -0.10 -0.49 121.20 120.28 1jys s ILE 89 Ca 0.66 -1.29 -0.17 0.00 -2.23 0.00 0.00 60.65 57.62 1jys s ILE 89 Cb -0.20 -2.22 -0.06 0.00 -1.58 0.00 0.00 42.46 38.40 1jys s ILE 89 CO 0.42 0.18 0.49 0.68 -1.23 0.00 0.00 174.94 175.49 1jys s VAL 90 N 1.21 4.89 -0.14 2.92 -7.23 0.06 -1.14 120.40 120.97 1jys s VAL 90 Ca -0.03 1.03 0.01 0.00 -1.81 0.00 0.00 61.98 61.19 1jys s VAL 90 Cb -0.17 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 32.96 1jys s VAL 90 CO -0.07 0.56 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.40 1jys s VAL 91 N -1.02 2.37 0.21 1.32 1.01 -0.03 -1.61 120.40 122.65 1jys s VAL 91 Ca 0.26 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 1jys s VAL 91 Cb -0.18 -1.97 -0.08 0.00 0.00 0.00 0.00 36.38 34.14 1jys s VAL 91 CO 0.16 0.53 1.23 -0.94 0.00 0.00 0.00 175.10 176.09 1jys s SER 92 N 0.77 7.02 -0.13 3.32 1.04 -0.58 -1.21 113.70 123.94 1jys s SER 92 Ca -0.07 2.32 0.19 0.00 0.48 0.00 0.00 55.95 58.87 1jys s SER 92 Cb -0.16 -2.61 -0.27 0.00 0.10 0.00 0.00 66.02 63.09 1jys s SER 92 CO -0.00 -0.42 0.26 -0.90 0.98 0.00 0.00 173.24 173.16 1jys n ASP 93 N 2.34 0.09 -3.57 7.02 5.68 -0.57 -4.64 116.55 122.90 1jys n ASP 93 Ca 0.04 0.04 -0.09 0.00 -0.50 0.00 0.00 54.79 54.29 1jys n ASP 93 Cb 0.44 1.19 -0.02 0.00 -1.14 0.00 0.00 41.12 41.59 1jys n ASP 93 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1jys s GLU 94 N -2.81 1.20 -0.01 0.11 -1.05 -1.26 -1.73 118.70 113.15 1jys s GLU 94 Ca -0.09 -0.53 0.03 0.00 -0.15 0.00 0.00 54.97 54.23 1jys s GLU 94 Cb 0.08 0.49 -0.01 0.00 -0.44 0.00 0.00 34.13 34.26 1jys s GLU 94 CO 0.85 -0.53 -0.10 0.00 0.95 0.00 0.00 175.26 176.43 1jys s ALA 95 N -3.50 0.80 0.09 -0.84 0.00 0.19 -1.89 121.76 116.60 1jys s ALA 95 Ca 0.06 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1jys s ALA 95 Cb -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1jys s ALA 95 CO -0.06 0.19 -0.07 1.03 0.00 0.00 0.00 175.76 176.85 1jys s ARG 96 N -0.24 0.78 -0.17 0.00 0.52 -0.66 -0.57 118.95 118.61 1jys s ARG 96 Ca 0.04 -1.21 -0.22 0.00 -0.52 0.00 0.00 55.73 53.82 1jys s ARG 96 Cb -0.04 -0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.16 1jys s ARG 96 CO -0.00 0.00 0.67 0.71 0.02 0.00 0.00 175.30 176.71 1jys s TYR 97 N -3.10 3.41 -1.19 -0.53 4.12 -1.26 -1.63 117.35 117.18 1jys s TYR 97 Ca 0.07 1.03 0.26 0.00 0.02 0.00 0.00 57.07 58.46 1jys s TYR 97 Cb 0.02 -2.84 0.76 0.00 -1.52 0.00 0.00 41.96 38.38 1jys s TYR 97 CO -0.03 -0.15 1.59 -2.39 0.02 0.00 0.00 175.55 174.58 1jys n HIS 98 N 4.90 0.00 -0.91 2.71 1.44 -0.76 -3.88 115.22 118.72 1jys n HIS 98 Ca -0.00 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.79 1jys n HIS 98 Cb 0.50 -0.27 0.21 0.00 0.12 0.00 0.00 29.99 30.54 1jys n HIS 98 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1jys n ASP 99 N -1.31 3.28 -4.65 4.39 5.75 -1.26 -4.92 116.55 117.83 1jys n ASP 99 Ca 0.08 -2.92 -0.35 0.00 -0.01 0.00 0.00 54.79 51.59 1jys n ASP 99 Cb 0.33 -0.46 -0.09 0.00 -1.03 0.00 0.00 41.12 39.86 1jys n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jys s ALA 100 N -2.62 3.43 -0.26 2.12 0.00 -1.25 -5.04 121.76 118.14 1jys s ALA 100 Ca 0.36 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1jys s ALA 100 Cb 0.29 -1.89 0.11 0.00 0.00 0.00 0.00 23.12 21.64 1jys s ALA 100 CO 0.07 0.24 0.24 0.34 0.00 0.00 0.00 175.76 176.66 1jys s ASP 101 N 0.19 1.84 -0.12 0.00 3.68 -1.26 -0.77 116.67 120.22 1jys s ASP 101 Ca 0.04 -0.63 0.17 0.00 2.13 0.00 0.00 52.55 54.26 1jys s ASP 101 Cb -0.12 0.34 0.41 0.00 -1.45 0.00 0.00 42.92 42.09 1jys s ASP 101 CO 0.00 -0.37 1.19 0.52 0.13 0.00 0.00 175.17 176.64 1jys n VAL 102 N 5.31 1.29 0.20 1.11 0.31 -1.26 -4.81 118.33 120.48 1jys n VAL 102 Ca -0.04 -2.26 0.12 0.00 -0.01 0.00 0.00 64.34 62.15 1jys n VAL 102 Cb 0.47 0.26 0.70 0.00 -0.91 0.00 0.00 33.84 34.36 1jys n VAL 102 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1jys h THR 103 N 3.43 0.84 0.00 2.52 1.35 -1.85 -1.03 112.91 118.18 1jys h THR 103 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1jys h THR 103 Cb 1.36 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1jys h THR 103 CO 0.04 0.00 0.11 0.00 -0.25 0.00 0.00 175.52 175.42 1jys h ALA 104 N 1.92 1.09 -0.20 6.62 0.00 -1.87 -0.41 119.26 126.41 1jys h ALA 104 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1jys h ALA 104 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1jys h ALA 104 CO -0.00 -0.09 -0.10 1.19 0.00 0.00 0.00 179.25 180.25 1jys n PHE 105 N -2.52 0.66 -0.39 0.00 3.01 -0.39 -4.96 117.46 112.88 1jys n PHE 105 Ca -0.02 -1.26 0.00 0.00 1.01 0.00 0.00 57.45 57.19 1jys n PHE 105 Cb 0.15 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 1jys n PHE 105 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jys n GLY 106 N -1.02 1.18 3.81 1.37 0.00 -0.16 -5.05 105.19 105.32 1jys n GLY 106 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1jys n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jys s TYR 107 N -3.00 3.18 0.58 1.61 2.02 -1.22 -4.99 117.35 115.53 1jys s TYR 107 Ca 0.00 1.58 -0.18 0.00 -0.37 0.00 0.00 57.07 58.10 1jys s TYR 107 Cb 0.00 -2.94 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 1jys s TYR 107 CO 0.00 -0.47 1.14 -2.00 -1.57 0.00 0.00 175.55 172.66 1jys s GLU 108 N -3.32 3.12 0.26 -0.62 2.12 -1.26 -3.93 118.70 115.07 1jys s GLU 108 Ca 0.64 1.61 -0.31 0.00 0.36 0.00 0.00 54.97 57.27 1jys s GLU 108 Cb -0.12 -1.97 -0.12 0.00 0.26 0.00 0.00 34.13 32.18 1jys s GLU 108 CO 0.18 -1.04 1.65 -0.47 -0.54 0.00 0.00 175.26 175.05 1jys s TYR 109 N -1.87 2.80 0.00 5.30 5.04 -1.26 -1.54 117.35 125.82 1jys s TYR 109 Ca 0.72 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.96 1jys s TYR 109 Cb -0.25 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 37.96 1jys s TYR 109 CO 0.32 -3.91 0.00 0.41 -1.34 0.00 0.00 175.55 171.03 1jys n GLY 110 N 2.85 2.61 3.77 8.97 0.00 0.05 -4.99 105.19 118.44 1jys n GLY 110 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1jys n GLY 110 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jys s GLN 111 N -0.57 4.40 0.01 1.61 0.74 -0.59 -4.03 119.66 121.22 1jys s GLN 111 Ca 0.00 0.92 0.01 0.00 0.05 0.00 0.00 55.36 56.34 1jys s GLN 111 Cb 0.00 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.76 1jys s GLN 111 CO 0.00 0.44 0.05 -0.51 -0.55 0.00 0.00 175.29 174.72 1jys s LEU 112 N -0.53 3.72 0.12 3.68 1.43 -1.26 -4.36 118.68 121.48 1jys s LEU 112 Ca 0.34 0.06 -0.35 0.00 -1.03 0.00 0.00 54.13 53.15 1jys s LEU 112 Cb -0.20 -2.19 -0.15 0.00 0.03 0.00 0.00 46.19 43.68 1jys s LEU 112 CO 0.21 0.26 1.48 -2.65 0.23 0.00 0.00 176.35 175.89 1jys n PRO 113 N 1.18 1.70 -0.58 1.29 -0.02 -1.26 -1.46 135.00 135.85 1jys n PRO 113 Ca -0.13 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1jys n PRO 113 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1jys n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jys n GLY 114 N 3.06 0.74 3.29 -1.23 0.00 -1.26 -5.05 105.19 104.74 1jys n GLY 114 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 1jys n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jys s PRO 116 N -3.48 1.70 0.36 0.00 0.04 -1.26 -4.67 135.00 127.69 1jys s PRO 116 Ca 0.17 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.77 1jys s PRO 116 Cb -0.00 -1.88 0.66 0.00 0.04 0.00 0.00 34.50 33.31 1jys s PRO 116 CO 0.04 -1.86 2.01 0.00 0.04 0.00 0.00 177.00 177.22 1jys h ALA 117 N -1.26 1.55 -2.55 8.56 0.00 -1.95 -3.42 119.26 120.18 1jys h ALA 117 Ca -0.48 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1jys h ALA 117 Cb 1.29 -0.24 -0.17 0.00 0.00 0.00 0.00 17.79 18.67 1jys h ALA 117 CO 0.60 0.40 -0.69 0.20 0.00 0.00 0.00 179.25 179.76 1jys s GLY 118 N -3.53 0.42 -0.28 0.00 0.00 -1.26 -4.39 107.32 98.28 1jys s GLY 118 Ca -0.10 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 43.54 1jys s GLY 118 CO 0.76 -1.07 0.18 -1.36 0.00 0.00 0.00 173.10 171.61 1jys s PHE 119 N -2.88 3.21 -0.04 1.90 0.08 0.26 -4.90 117.98 115.62 1jys s PHE 119 Ca -0.02 0.04 -0.24 0.00 0.12 0.00 0.00 56.93 56.83 1jys s PHE 119 Cb 0.00 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 1jys s PHE 119 CO -0.06 -0.19 0.74 0.15 -0.10 0.00 0.00 175.22 175.76 1jys s LYS 120 N 1.74 4.46 0.60 0.44 1.02 -1.26 -0.64 119.74 126.10 1jys s LYS 120 Ca 0.07 0.97 -0.15 0.00 0.02 0.00 0.00 55.97 56.88 1jys s LYS 120 Cb -0.16 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.68 1jys s LYS 120 CO 0.10 0.09 1.05 0.00 -0.92 0.00 0.00 175.35 175.68 1jys s ALA 121 N 0.66 2.77 0.14 5.17 0.00 -0.70 -4.80 121.76 124.99 1jys s ALA 121 Ca 0.39 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 1jys s ALA 121 Cb -0.19 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 1jys s ALA 121 CO 0.20 -0.81 1.24 0.34 0.00 0.00 0.00 175.76 176.73 1jys s ASP 122 N -2.95 7.03 0.25 0.00 2.15 -0.31 -4.92 116.67 117.92 1jys s ASP 122 Ca 0.62 2.20 -0.03 0.00 0.43 0.00 0.00 52.55 55.77 1jys s ASP 122 Cb -0.15 -2.60 0.42 0.00 -0.30 0.00 0.00 42.92 40.29 1jys s ASP 122 CO 0.39 -0.46 1.83 0.44 -0.17 0.00 0.00 175.17 177.21 1jys h ASP 123 N 5.94 0.82 -0.32 -0.34 3.45 -1.94 -1.06 116.42 122.97 1jys h ASP 123 Ca -0.43 0.04 -0.10 0.00 0.43 0.00 0.00 57.03 56.96 1jys h ASP 123 Cb 1.21 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.85 1jys h ASP 123 CO 0.78 0.48 -0.19 0.50 -1.57 0.00 0.00 179.24 179.25 1jys h LYS 124 N 0.93 0.69 -0.67 3.56 3.64 -1.98 -2.23 116.57 120.52 1jys h LYS 124 Ca 0.42 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1jys h LYS 124 Cb 0.32 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1jys h LYS 124 CO -0.22 0.92 0.22 -0.07 -2.27 0.00 0.00 179.45 178.02 1jys h LEU 125 N 0.46 0.96 -0.10 5.20 3.38 -1.82 -0.75 115.31 122.63 1jys h LEU 125 Ca 0.07 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1jys h LEU 125 Cb 0.73 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1jys h LEU 125 CO 0.05 0.91 -0.03 0.40 0.09 0.00 0.00 178.44 179.86 1jys h ILE 126 N 0.96 0.88 -0.34 1.22 2.04 -1.14 0.70 117.51 121.83 1jys h ILE 126 Ca 0.22 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 1jys h ILE 126 Cb 0.28 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1jys h ILE 126 CO -0.01 0.00 0.18 0.00 0.00 0.00 0.00 178.15 178.32 1jys h ALA 127 N 1.08 0.44 -0.63 1.87 0.00 -1.17 -0.90 119.26 119.96 1jys h ALA 127 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jys h ALA 127 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1jys h ALA 127 CO -0.11 -0.02 0.26 0.00 0.00 0.00 0.00 179.25 179.38 1jys h ALA 128 N 1.04 0.81 -0.22 0.00 0.00 -0.91 -1.24 119.26 118.75 1jys h ALA 128 Ca 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jys h ALA 128 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jys h ALA 128 CO -0.02 0.42 0.12 0.00 0.00 0.00 0.00 179.25 179.77 1jys h ALA 129 N 1.11 0.28 -0.58 0.00 0.00 -0.68 -0.43 119.26 118.96 1jys h ALA 129 Ca 0.21 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1jys h ALA 129 Cb 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1jys h ALA 129 CO -0.02 -0.19 0.38 0.93 0.00 0.00 0.00 179.25 180.35 1jys h GLU 130 N 0.24 0.71 -0.22 0.00 5.08 -0.93 -0.44 114.58 119.02 1jys h GLU 130 Ca 0.08 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 1jys h GLU 130 Cb 0.06 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1jys h GLU 130 CO -0.01 0.47 -0.56 0.00 -1.00 0.00 0.00 179.01 177.91 1jys h ALA 131 N 1.65 0.36 -0.42 3.43 0.00 -0.82 -2.32 119.26 121.14 1jys h ALA 131 Ca 0.22 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1jys h ALA 131 Cb -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1jys h ALA 131 CO -0.05 0.58 -0.05 0.00 0.00 0.00 0.00 179.25 179.73 1jys h ILE 133 N 0.66 1.28 -0.67 0.00 2.04 -1.07 -2.86 117.51 116.88 1jys h ILE 133 Ca 0.12 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 1jys h ILE 133 Cb 0.48 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1jys h ILE 133 CO 0.02 0.34 0.20 0.00 0.00 0.00 0.00 178.15 178.72 1jys h ALA 134 N 0.79 1.09 0.00 1.87 0.00 -1.23 -1.67 119.26 120.11 1jys h ALA 134 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jys h ALA 134 Cb 0.53 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jys h ALA 134 CO 0.03 0.62 -0.04 0.93 0.00 0.00 0.00 179.25 180.78 1jys h GLU 135 N 1.00 0.00 -0.29 0.00 5.08 -1.15 0.24 114.58 119.45 1jys h GLU 135 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1jys h GLU 135 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1jys h GLU 135 CO -0.01 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 1jys n LEU 136 N -3.78 1.97 -1.95 1.33 4.77 -0.89 -4.90 117.00 113.54 1jys n LEU 136 Ca -0.03 -0.91 -0.16 0.00 -0.03 0.00 0.00 56.01 54.89 1jys n LEU 136 Cb 0.14 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1jys n LEU 136 CO 0.28 0.45 -0.12 0.59 -1.33 0.00 0.00 177.39 177.27 1jys n ASN 137 N 0.54 -4.72 -4.83 -1.43 5.03 0.84 -5.02 115.26 105.69 1jys n ASN 137 Ca 0.15 -0.09 -0.22 0.00 0.87 0.00 0.00 54.58 55.29 1jys n ASN 137 Cb 0.34 -3.74 -0.04 0.00 -1.02 0.00 0.00 39.78 35.32 1jys n ASN 137 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1jys s LEU 138 N -4.63 3.43 -0.29 3.41 1.43 -0.68 -5.02 118.68 116.34 1jys s LEU 138 Ca 0.09 -0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 52.44 1jys s LEU 138 Cb -0.04 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1jys s LEU 138 CO 0.11 -0.45 0.12 0.21 0.23 0.00 0.00 176.35 176.58 1jys s ASN 139 N -4.00 5.41 -0.16 2.29 2.47 -1.26 -4.09 114.94 115.60 1jys s ASN 139 Ca 0.42 -0.39 -0.08 0.00 0.42 0.00 0.00 52.86 53.23 1jys s ASN 139 Cb -0.04 -1.97 -0.04 0.00 -1.45 0.00 0.00 41.25 37.74 1jys s ASN 139 CO 0.26 -0.13 0.13 0.00 -3.72 0.00 0.00 177.10 173.64 1jys s ALA 140 N 1.62 3.75 -0.13 1.71 0.00 -1.26 -0.92 121.76 126.53 1jys s ALA 140 Ca 0.05 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 1jys s ALA 140 Cb -0.16 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.93 1jys s ALA 140 CO 0.05 0.37 -0.10 0.08 0.00 0.00 0.00 175.76 176.16 1jys s VAL 141 N -0.28 1.27 0.19 0.00 1.01 -0.29 -4.96 120.40 117.33 1jys s VAL 141 Ca 0.11 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1jys s VAL 141 Cb -0.12 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 34.94 1jys s VAL 141 CO 0.01 0.40 0.62 -0.60 0.00 0.00 0.00 175.10 175.53 1jys s ARG 142 N 1.61 4.07 0.00 2.72 3.52 -1.26 -0.85 118.95 128.76 1jys s ARG 142 Ca 0.05 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 1jys s ARG 142 Cb -0.13 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 1jys s ARG 142 CO -0.09 0.42 0.00 0.41 -0.81 0.00 0.00 175.30 175.23 1jys n GLY 143 N 0.67 -1.95 3.71 8.12 0.00 -0.35 -4.91 105.19 110.48 1jys n GLY 143 Ca -0.04 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 1jys n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jys s LEU 144 N 0.00 4.35 -0.09 0.99 2.96 -1.26 -1.51 118.68 124.11 1jys s LEU 144 Ca 0.00 1.88 0.02 0.00 -0.22 0.00 0.00 54.13 55.81 1jys s LEU 144 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 1jys s LEU 144 CO 0.00 -0.44 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.80 1jys s ILE 145 N 1.30 2.88 0.16 6.68 1.01 -0.79 -0.29 121.20 132.15 1jys s ILE 145 Ca 0.56 -0.75 0.11 0.00 0.00 0.00 0.00 60.65 60.57 1jys s ILE 145 Cb -0.26 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1jys s ILE 145 CO 0.27 0.56 -0.22 0.68 0.00 0.00 0.00 174.94 176.22 1jys s VAL 146 N -0.12 2.49 0.09 2.92 -7.23 -0.80 -1.66 120.40 116.09 1jys s VAL 146 Ca -0.02 -1.83 -0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1jys s VAL 146 Cb -0.14 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1jys s VAL 146 CO 0.04 -0.02 0.16 -0.94 -0.31 0.00 0.00 175.10 174.02 1jys s SER 147 N -2.43 0.18 0.12 4.85 1.04 -0.64 -2.47 113.70 114.33 1jys s SER 147 Ca 0.19 -0.76 -0.26 0.00 0.48 0.00 0.00 55.95 55.60 1jys s SER 147 Cb -0.09 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.43 1jys s SER 147 CO 0.09 -0.73 0.93 -0.83 0.98 0.00 0.00 173.24 173.68 1jys s GLY 148 N -2.89 -0.29 -0.00 7.32 0.00 -0.98 -1.84 107.32 108.64 1jys s GLY 148 Ca 0.08 0.34 -0.06 0.00 0.00 0.00 0.00 44.72 45.08 1jys s GLY 148 CO -0.09 0.08 3.51 1.22 0.00 0.00 0.00 173.10 177.82 1jys n ASP 149 N -0.42 5.25 -3.81 1.64 8.00 -1.26 -4.30 116.55 121.65 1jys n ASP 149 Ca -0.07 -2.48 -0.12 0.00 0.71 0.00 0.00 54.79 52.83 1jys n ASP 149 Cb 0.61 -1.40 -0.11 0.00 -0.02 0.00 0.00 41.12 40.20 1jys n ASP 149 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jys s ALA 150 N 0.92 -0.52 -0.45 2.24 0.00 -1.26 -5.07 121.76 117.61 1jys s ALA 150 Ca 0.62 0.42 -0.19 0.00 0.00 0.00 0.00 51.96 52.81 1jys s ALA 150 Cb 0.30 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.24 1jys s ALA 150 CO -0.00 -0.15 0.55 0.12 0.00 0.00 0.00 175.76 176.28 1jys s PHE 151 N -0.38 3.11 -0.19 0.00 2.19 -1.26 -4.77 117.98 116.69 1jys s PHE 151 Ca -0.05 -0.35 -0.29 0.00 0.33 0.00 0.00 56.93 56.57 1jys s PHE 151 Cb -0.03 -3.22 -0.03 0.00 -1.31 0.00 0.00 43.02 38.43 1jys s PHE 151 CO 0.01 -0.85 1.56 0.42 1.83 0.00 0.00 175.22 178.19 1jys s ILE 152 N 2.46 3.77 -0.01 3.12 -1.09 -1.26 -4.84 121.20 123.35 1jys s ILE 152 Ca 0.16 0.89 -0.00 0.00 -2.23 0.00 0.00 60.65 59.46 1jys s ILE 152 Cb -0.17 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1jys s ILE 152 CO 0.14 -0.24 -0.01 -3.20 -1.23 0.00 0.00 174.94 170.40 1jys n ASN 153 N 7.94 1.61 -5.01 3.58 4.05 -1.26 -5.04 115.26 121.13 1jys n ASN 153 Ca 0.18 0.00 -0.18 0.00 0.45 0.00 0.00 54.58 55.03 1jys n ASN 153 Cb 0.45 -0.02 0.03 0.00 1.23 0.00 0.00 39.78 41.47 1jys n ASN 153 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1jys s GLY 154 N -4.63 1.88 0.24 8.20 0.00 -1.26 -5.02 107.32 106.73 1jys s GLY 154 Ca -0.01 -1.79 -0.05 0.00 0.00 0.00 0.00 44.72 42.87 1jys s GLY 154 CO 0.01 -1.53 1.84 0.23 0.00 0.00 0.00 173.10 173.66 1jys h SER 155 N 0.48 0.80 -0.48 1.64 0.87 -1.99 -2.75 113.55 112.12 1jys h SER 155 Ca -0.37 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1jys h SER 155 Cb 1.28 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 1jys h SER 155 CO 0.44 0.50 0.31 0.58 -0.53 0.00 0.00 176.83 178.13 1jys h VAL 156 N 0.93 1.13 -0.69 2.23 2.07 -1.99 0.19 116.25 120.12 1jys h VAL 156 Ca 0.38 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 1jys h VAL 156 Cb 0.23 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1jys h VAL 156 CO -0.19 0.13 0.31 1.23 0.02 0.00 0.00 177.57 179.06 1jys h GLY 157 N 0.65 1.09 1.05 2.17 0.00 -1.91 -1.98 103.07 104.14 1jys h GLY 157 Ca 0.18 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 1jys h GLY 157 CO -0.04 0.53 -0.21 1.41 0.00 0.00 0.00 176.54 178.24 1jys h LEU 158 N 0.97 0.91 -0.43 3.11 3.38 -1.20 -2.71 115.31 119.34 1jys h LEU 158 Ca 0.23 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1jys h LEU 158 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1jys h LEU 158 CO -0.02 1.11 0.26 0.00 0.09 0.00 0.00 178.44 179.88 1jys h ALA 159 N 0.83 0.55 -0.64 1.53 0.00 -0.39 0.56 119.26 121.69 1jys h ALA 159 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1jys h ALA 159 Cb 0.77 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1jys h ALA 159 CO 0.06 -0.07 0.33 -0.22 0.00 0.00 0.00 179.25 179.36 1jys h LYS 160 N 0.52 0.91 -0.23 0.00 3.64 -1.35 -0.20 116.57 119.85 1jys h LYS 160 Ca 0.17 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1jys h LYS 160 Cb 0.01 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1jys h LYS 160 CO -0.08 0.71 0.02 0.82 -2.27 0.00 0.00 179.45 178.64 1jys h ILE 161 N 0.88 1.24 0.00 2.00 2.04 -1.11 -1.55 117.51 121.02 1jys h ILE 161 Ca 0.22 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 1jys h ILE 161 Cb 0.08 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1jys h ILE 161 CO -0.03 0.26 -0.24 0.03 0.00 0.00 0.00 178.15 178.17 1jys h ARG 162 N 0.18 0.00 -0.04 2.37 3.08 -0.74 0.41 114.38 119.64 1jys h ARG 162 Ca 0.07 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1jys h ARG 162 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.43 1jys h ARG 162 CO 0.01 0.24 -0.45 1.25 -1.07 0.00 0.00 179.97 179.94 1jys h HIS 163 N 0.00 0.54 -0.00 3.04 2.76 -0.87 -1.80 115.15 118.82 1jys h HIS 163 Ca -0.00 -0.26 -0.19 0.00 -2.20 0.00 0.00 60.37 57.72 1jys h HIS 163 Cb 0.61 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1jys h HIS 163 CO 0.00 1.05 -0.84 -0.91 -1.30 0.00 0.00 177.93 175.92 1jys h ASN 164 N -0.12 0.18 -2.19 3.26 2.35 -1.06 -3.38 115.58 114.62 1jys h ASN 164 Ca -0.05 -0.15 -0.58 0.00 -0.55 0.00 0.00 56.30 54.98 1jys h ASN 164 Cb 1.14 -0.06 -0.40 0.00 0.05 0.00 0.00 38.32 39.06 1jys h ASN 164 CO 0.09 0.94 -0.95 0.49 -1.65 0.00 0.00 177.43 176.35 1jys n PHE 165 N -3.65 0.46 0.31 1.19 3.01 0.14 -4.95 117.46 113.98 1jys n PHE 165 Ca -0.03 -3.66 0.17 0.00 1.01 0.00 0.00 57.45 54.94 1jys n PHE 165 Cb 0.79 -0.27 1.00 0.00 -0.01 0.00 0.00 39.48 40.99 1jys n PHE 165 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1jys h PRO 166 N 4.50 0.00 0.00 -1.08 0.13 -1.51 -1.52 132.00 132.52 1jys h PRO 166 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1jys h PRO 166 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1jys h PRO 166 CO 0.52 0.00 -0.37 0.00 -0.23 0.00 0.00 178.00 177.93 1jys n GLN 167 N -3.65 0.03 -1.88 0.86 0.00 -1.26 -4.90 117.38 106.58 1jys n GLN 167 Ca -0.03 0.01 -0.41 0.00 0.00 0.00 0.00 57.00 56.57 1jys n GLN 167 Cb 0.08 -1.52 -0.02 0.00 0.00 0.00 0.00 30.24 28.78 1jys n GLN 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jys s ALA 168 N -3.02 3.69 -0.18 2.61 0.00 -0.57 -4.38 121.76 119.92 1jys s ALA 168 Ca 0.11 1.47 0.16 0.00 0.00 0.00 0.00 51.96 53.70 1jys s ALA 168 Cb 0.17 -3.61 -0.23 0.00 0.00 0.00 0.00 23.12 19.46 1jys s ALA 168 CO 0.65 -0.89 0.41 0.44 0.00 0.00 0.00 175.76 176.38 1jys n ILE 169 N 2.14 0.00 -3.80 0.00 -5.35 0.60 -4.21 119.36 108.74 1jys n ILE 169 Ca 0.07 -0.31 -0.10 0.00 -0.27 0.00 0.00 62.75 62.15 1jys n ILE 169 Cb 0.39 0.34 -0.07 0.00 -1.74 0.00 0.00 39.64 38.55 1jys n ILE 169 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jys s ALA 170 N -2.94 -0.44 -0.02 -1.28 0.00 -1.21 -0.10 121.76 115.76 1jys s ALA 170 Ca -0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 1jys s ALA 170 Cb 0.10 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1jys s ALA 170 CO 0.65 -0.50 0.08 0.54 0.00 0.00 0.00 175.76 176.53 1jys s VAL 171 N -3.49 0.04 0.00 0.00 0.11 0.15 -1.91 120.40 115.30 1jys s VAL 171 Ca 0.02 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1jys s VAL 171 Cb 0.03 -0.23 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 1jys s VAL 171 CO -0.09 -0.18 0.00 -1.84 -3.33 0.00 0.00 175.10 169.66 1jys n GLU 172 N 2.40 0.00 0.00 1.54 -0.00 -1.03 -1.18 120.64 122.37 1jys n GLU 172 Ca -0.17 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.00 1jys n GLU 172 Cb 0.58 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 32.03 1jys n GLU 172 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1jys n MET 173 N 0.00 -0.65 0.00 3.44 2.81 -1.26 -2.31 117.12 119.15 1jys n MET 173 Ca 0.00 -0.65 0.00 0.00 -1.81 0.00 0.00 57.70 55.24 1jys n MET 173 Cb 0.00 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1jys n MET 173 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1jys n GLU 174 N 0.14 3.56 -0.14 0.03 4.71 -1.26 -3.41 120.64 124.27 1jys n GLU 174 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.11 1jys n GLU 174 Cb 0.06 -0.69 0.01 0.00 -1.01 0.00 0.00 31.44 29.81 1jys n GLU 174 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jys h ALA 175 N 0.00 0.06 0.00 0.62 0.00 -1.92 -2.53 119.26 115.48 1jys h ALA 175 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1jys h ALA 175 Cb 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jys h ALA 175 CO 0.00 -0.60 -0.34 1.15 0.00 0.00 0.00 179.25 179.46 1jys h THR 176 N -0.15 0.95 -0.38 0.00 2.02 -1.90 -1.54 112.91 111.92 1jys h THR 176 Ca 0.21 -1.30 -0.15 0.00 0.77 0.00 0.00 66.41 65.93 1jys h THR 176 Cb 0.48 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1jys h THR 176 CO -0.54 0.33 -0.37 0.00 0.37 0.00 0.00 175.52 175.32 1jys h ALA 177 N 1.66 0.55 -0.34 6.16 0.00 -1.80 0.13 119.26 125.63 1jys h ALA 177 Ca -0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 1jys h ALA 177 Cb 0.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1jys h ALA 177 CO 0.04 0.64 -0.42 0.82 0.00 0.00 0.00 179.25 180.34 1jys h ILE 178 N 0.73 1.28 -0.69 0.00 2.04 -1.26 -1.49 117.51 118.11 1jys h ILE 178 Ca 0.06 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 64.24 1jys h ILE 178 Cb 0.96 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 1jys h ILE 178 CO 0.09 0.53 0.13 0.00 0.00 0.00 0.00 178.15 178.90 1jys h ALA 179 N 0.84 0.92 -0.31 1.87 0.00 -1.20 -0.87 119.26 120.51 1jys h ALA 179 Ca 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1jys h ALA 179 Cb 1.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jys h ALA 179 CO 0.10 0.67 0.13 1.25 0.00 0.00 0.00 179.25 181.40 1jys h HIS 180 N 1.06 0.46 -0.59 0.00 -0.00 -0.79 0.17 115.15 115.47 1jys h HIS 180 Ca 0.21 -0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.47 1jys h HIS 180 Cb 0.42 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1jys h HIS 180 CO 0.03 0.44 0.05 0.28 -0.00 0.00 0.00 177.93 178.73 1jys h VAL 181 N 0.35 1.26 -0.72 5.26 2.07 -1.09 -0.88 116.25 122.50 1jys h VAL 181 Ca 0.10 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1jys h VAL 181 Cb 0.16 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1jys h VAL 181 CO -0.01 0.39 0.39 0.00 0.02 0.00 0.00 177.57 178.36 1jys h HIS 183 N 1.00 -0.04 0.00 0.00 6.17 -0.28 0.14 115.15 122.14 1jys h HIS 183 Ca 0.25 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.32 1jys h HIS 183 Cb 0.06 0.03 -0.00 0.00 2.52 0.00 0.00 27.41 30.01 1jys h HIS 183 CO -0.00 -0.03 -0.11 -0.91 0.71 0.00 0.00 177.93 177.59 1jys h ASN 184 N -0.01 0.00 -0.04 3.26 -0.26 -0.78 -0.69 115.58 117.06 1jys h ASN 184 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1jys h ASN 184 Cb 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1jys h ASN 184 CO -0.06 0.11 0.00 0.49 -1.06 0.00 0.00 177.43 176.91 1jys n PHE 185 N -3.87 0.03 -3.79 1.19 3.01 -0.42 -4.95 117.46 108.65 1jys n PHE 185 Ca -0.02 -0.01 -0.27 0.00 1.01 0.00 0.00 57.45 58.15 1jys n PHE 185 Cb 0.20 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.72 1jys n PHE 185 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1jys n ASN 186 N 0.71 -4.68 -4.41 4.37 5.15 0.28 -4.98 115.26 111.70 1jys n ASN 186 Ca 0.17 -0.71 -0.34 0.00 -0.60 0.00 0.00 54.58 53.09 1jys n ASN 186 Cb 0.46 -4.26 -0.13 0.00 -0.53 0.00 0.00 39.78 35.32 1jys n ASN 186 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1jys s VAL 187 N -3.35 3.56 0.50 3.44 1.01 0.07 -5.02 120.40 120.60 1jys s VAL 187 Ca 0.54 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 1jys s VAL 187 Cb -0.26 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 1jys s VAL 187 CO 0.80 0.47 1.37 -2.84 0.00 0.00 0.00 175.10 174.90 1jys s PRO 188 N 0.79 3.39 0.18 2.72 0.02 -1.26 -4.43 135.00 136.41 1jys s PRO 188 Ca -0.02 2.27 -0.07 0.00 0.02 0.00 0.00 61.00 63.21 1jys s PRO 188 Cb -0.15 -2.42 -0.02 0.00 0.02 0.00 0.00 34.50 31.93 1jys s PRO 188 CO 0.02 -1.01 0.25 -0.59 -0.33 0.00 0.00 177.00 175.34 1jys s PHE 189 N -1.28 0.62 -0.10 6.54 -0.71 -1.26 -1.40 117.98 120.40 1jys s PHE 189 Ca 0.67 -0.96 -0.07 0.00 -1.04 0.00 0.00 56.93 55.53 1jys s PHE 189 Cb -0.41 -0.19 0.04 0.00 -1.21 0.00 0.00 43.02 41.25 1jys s PHE 189 CO 0.50 -0.72 0.25 0.54 -1.34 0.00 0.00 175.22 174.45 1jys s VAL 190 N -4.03 -0.02 -0.15 -2.49 0.11 -0.85 -1.16 120.40 111.82 1jys s VAL 190 Ca 0.24 0.08 -0.04 0.00 -2.93 0.00 0.00 61.98 59.32 1jys s VAL 190 Cb 0.04 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1jys s VAL 190 CO 0.04 0.03 0.00 -0.69 -3.33 0.00 0.00 175.10 171.16 1jys s VAL 191 N 0.72 4.27 -0.03 2.04 1.01 -1.26 -1.71 120.40 125.44 1jys s VAL 191 Ca -0.05 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1jys s VAL 191 Cb -0.06 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1jys s VAL 191 CO -0.04 0.51 -0.11 -0.69 0.00 0.00 0.00 175.10 174.77 1jys s VAL 192 N 0.05 0.93 -0.02 2.92 1.01 0.03 -1.52 120.40 123.79 1jys s VAL 192 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1jys s VAL 192 Cb -0.13 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1jys s VAL 192 CO 0.02 0.29 0.04 -0.13 0.00 0.00 0.00 175.10 175.31 1jys s ARG 193 N 0.19 -0.02 0.04 2.72 1.81 -0.63 -2.51 118.95 120.56 1jys s ARG 193 Ca -0.04 0.18 -0.26 0.00 -1.72 0.00 0.00 55.73 53.89 1jys s ARG 193 Cb -0.10 -0.20 -0.05 0.00 -0.45 0.00 0.00 34.95 34.15 1jys s ARG 193 CO 0.01 -0.14 0.81 0.00 -0.68 0.00 0.00 175.30 175.30 1jys s ALA 194 N 0.91 3.33 -0.39 2.13 0.00 -0.51 -0.76 121.76 126.47 1jys s ALA 194 Ca -0.08 0.34 -0.28 0.00 0.00 0.00 0.00 51.96 51.94 1jys s ALA 194 Cb -0.11 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 19.97 1jys s ALA 194 CO -0.03 0.01 1.06 0.42 0.00 0.00 0.00 175.76 177.22 1jys s ILE 195 N 0.12 4.41 -0.08 0.00 -1.09 0.36 -1.04 121.20 123.89 1jys s ILE 195 Ca 0.41 1.40 0.14 0.00 -2.23 0.00 0.00 60.65 60.37 1jys s ILE 195 Cb -0.21 -4.47 -0.08 0.00 -1.58 0.00 0.00 42.46 36.12 1jys s ILE 195 CO 0.24 -0.70 1.16 0.77 -1.23 0.00 0.00 174.94 175.18 1jys h SER 196 N 8.62 0.00 -4.96 3.58 4.64 -1.65 -0.36 113.55 123.43 1jys h SER 196 Ca -0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1jys h SER 196 Cb 1.06 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.01 1jys h SER 196 CO 1.06 0.67 0.23 1.51 -0.87 0.00 0.00 176.83 179.43 1jys s ASP 197 N -6.28 -0.58 -0.10 4.97 -4.77 -1.26 -4.89 116.67 103.76 1jys s ASP 197 Ca 0.01 0.24 0.02 0.00 -3.30 0.00 0.00 52.55 49.52 1jys s ASP 197 Cb 0.08 0.56 -0.01 0.00 -1.09 0.00 0.00 42.92 42.46 1jys s ASP 197 CO 0.79 -0.82 -0.17 -0.69 0.70 0.00 0.00 175.17 174.98 1jys s VAL 198 N -2.82 2.68 0.13 2.11 1.01 -1.26 0.36 120.40 122.60 1jys s VAL 198 Ca -0.03 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 1jys s VAL 198 Cb -0.01 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.36 1jys s VAL 198 CO -0.05 0.55 0.99 0.00 0.00 0.00 0.00 175.10 176.58 1jys n ALA 199 N 3.31 -0.22 -1.96 5.51 0.00 -0.39 -2.17 120.51 124.59 1jys n ALA 199 Ca -0.18 0.60 -0.28 0.00 0.00 0.00 0.00 53.44 53.57 1jys n ALA 199 Cb 0.53 -0.20 0.03 0.00 0.00 0.00 0.00 19.45 19.81 1jys n ALA 199 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jys n ASP 200 N -4.88 5.66 0.00 0.00 3.85 -1.26 -5.10 116.55 114.82 1jys n ASP 200 Ca 0.04 -3.76 0.00 0.00 -0.71 0.00 0.00 54.79 50.36 1jys n ASP 200 Cb 0.22 -0.55 0.00 0.00 -1.35 0.00 0.00 41.12 39.44 1jys n ASP 200 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jys n GLN 201 N -0.70 0.00 -2.93 0.11 1.13 -0.92 -5.18 117.38 108.89 1jys n GLN 201 Ca 0.48 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 55.14 1jys n GLN 201 Cb 0.79 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 31.08 1jys n GLN 201 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1jys s SER 206 N 1.00 7.43 0.07 1.08 0.15 -1.26 -4.70 113.70 117.47 1jys s SER 206 Ca 0.00 1.71 -0.19 0.00 0.70 0.00 0.00 55.95 58.17 1jys s SER 206 Cb 0.00 -2.52 -0.07 0.00 -1.71 0.00 0.00 66.02 61.72 1jys s SER 206 CO 0.00 0.18 1.31 0.15 1.20 0.00 0.00 173.24 176.08 1jys h PHE 207 N 4.20 -0.94 -0.39 3.44 3.57 -2.00 -0.76 116.94 124.06 1jys h PHE 207 Ca -0.47 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.10 1jys h PHE 207 Cb 1.20 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 40.34 1jys h PHE 207 CO 0.63 -0.30 0.19 -0.44 -2.23 0.00 0.00 178.31 176.17 1jys h ASP 208 N -0.29 0.28 -0.66 0.41 5.19 -2.02 0.19 116.42 119.52 1jys h ASP 208 Ca 0.03 0.02 0.19 0.00 -0.62 0.00 0.00 57.03 56.65 1jys h ASP 208 Cb 0.37 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 1jys h ASP 208 CO -0.28 0.21 0.50 -0.33 -3.12 0.00 0.00 179.24 176.21 1jys h GLU 209 N 0.40 0.00 0.00 3.56 5.08 -1.88 0.38 114.58 122.12 1jys h GLU 209 Ca 0.16 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1jys h GLU 209 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1jys h GLU 209 CO -0.11 0.00 -0.69 0.34 -1.00 0.00 0.00 179.01 177.55 1jys n PHE 210 N -4.22 0.81 -0.30 4.33 7.35 -0.33 -4.01 117.46 121.09 1jys n PHE 210 Ca 0.13 0.35 -0.05 0.00 -0.76 0.00 0.00 57.45 57.12 1jys n PHE 210 Cb 0.75 -0.78 0.07 0.00 0.35 0.00 0.00 39.48 39.87 1jys n PHE 210 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1jys h LEU 211 N -1.00 1.02 -0.49 -2.13 5.85 -0.49 0.59 115.31 118.66 1jys h LEU 211 Ca -0.05 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1jys h LEU 211 Cb 0.67 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1jys h LEU 211 CO -0.03 0.82 0.26 0.00 -0.34 0.00 0.00 178.44 179.16 1jys h ALA 212 N 1.23 0.63 -0.00 1.25 0.00 -0.43 -2.19 119.26 119.74 1jys h ALA 212 Ca 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jys h ALA 212 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jys h ALA 212 CO -0.05 0.15 -0.00 0.28 0.00 0.00 0.00 179.25 179.63 1jys h VAL 213 N 0.65 1.50 -0.62 0.00 2.07 -1.57 -3.13 116.25 115.14 1jys h VAL 213 Ca 0.17 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.26 1jys h VAL 213 Cb 0.06 2.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1jys h VAL 213 CO -0.03 0.38 0.39 0.00 0.02 0.00 0.00 177.57 178.33 1jys h ALA 214 N 0.38 0.81 -0.62 1.67 0.00 0.18 -1.25 119.26 120.42 1jys h ALA 214 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1jys h ALA 214 Cb 0.62 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1jys h ALA 214 CO 0.00 0.14 0.12 0.00 0.00 0.00 0.00 179.25 179.51 1jys h ALA 215 N 1.27 0.82 0.06 0.00 0.00 -1.52 0.11 119.26 120.00 1jys h ALA 215 Ca 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jys h ALA 215 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1jys h ALA 215 CO -0.10 0.57 -0.03 -0.22 0.00 0.00 0.00 179.25 179.47 1jys h LYS 216 N 0.93 -0.08 -0.36 0.00 1.63 -1.44 -1.88 116.57 115.37 1jys h LYS 216 Ca 0.19 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.94 1jys h LYS 216 Cb 0.41 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 1jys h LYS 216 CO 0.01 0.25 -0.03 1.96 -3.45 0.00 0.00 179.45 178.19 1jys h GLN 217 N -0.42 0.58 -0.58 1.90 1.08 -1.19 -1.73 115.11 114.75 1jys h GLN 217 Ca -0.01 -0.14 -0.09 0.00 -1.45 0.00 0.00 58.65 56.96 1jys h GLN 217 Cb 0.37 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1jys h GLN 217 CO 0.01 0.63 0.03 1.03 -0.95 0.00 0.00 178.83 179.57 1jys h SER 218 N 0.55 0.98 -0.72 1.46 0.87 -0.74 0.70 113.55 116.65 1jys h SER 218 Ca 0.11 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 1jys h SER 218 Cb 0.39 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1jys h SER 218 CO 0.02 1.04 0.22 0.77 -0.53 0.00 0.00 176.83 178.35 1jys h SER 219 N 0.90 1.06 -0.33 6.23 4.64 -0.84 0.11 113.55 125.31 1jys h SER 219 Ca 0.17 -0.20 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 1jys h SER 219 Cb 0.52 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1jys h SER 219 CO 0.02 0.99 -0.19 -0.07 -0.87 0.00 0.00 176.83 176.71 1jys h LEU 220 N 1.09 0.81 -0.51 5.97 3.38 -1.09 -0.70 115.31 124.26 1jys h LEU 220 Ca 0.24 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1jys h LEU 220 Cb 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1jys h LEU 220 CO -0.01 0.99 0.26 -0.03 0.09 0.00 0.00 178.44 179.74 1jys h MET 221 N 0.71 0.73 -0.35 1.13 4.05 -0.20 -0.05 114.93 120.96 1jys h MET 221 Ca 0.10 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1jys h MET 221 Cb 0.70 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1jys h MET 221 CO 0.05 0.60 0.12 0.28 0.23 0.00 0.00 176.91 178.19 1jys h VAL 222 N 0.68 1.20 -0.63 -5.77 2.07 -0.54 0.14 116.25 113.41 1jys h VAL 222 Ca 0.18 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1jys h VAL 222 Cb 0.10 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1jys h VAL 222 CO -0.02 0.22 0.41 -0.08 0.02 0.00 0.00 177.57 178.12 1jys h GLU 223 N 0.41 0.81 -0.34 1.57 4.81 -0.94 0.15 114.58 121.06 1jys h GLU 223 Ca 0.11 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 1jys h GLU 223 Cb 0.22 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1jys h GLU 223 CO -0.01 0.54 -0.27 1.03 -0.73 0.00 0.00 179.01 179.57 1jys h SER 224 N 0.84 0.71 0.29 1.04 0.87 -0.77 -2.58 113.55 113.94 1jys h SER 224 Ca 0.23 -0.27 -0.14 0.00 -1.23 0.00 0.00 61.79 60.39 1jys h SER 224 Cb -0.08 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1jys h SER 224 CO -0.06 0.94 -0.56 0.25 -0.53 0.00 0.00 176.83 176.88 1jys h LEU 225 N 0.60 0.31 -0.15 2.23 5.85 -0.15 -1.64 115.31 122.36 1jys h LEU 225 Ca 0.08 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1jys h LEU 225 Cb 0.76 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1jys h LEU 225 CO 0.06 0.81 0.02 0.58 -0.34 0.00 0.00 178.44 179.57 1jys h VAL 226 N 0.22 1.22 -0.65 1.05 2.07 -0.59 -1.42 116.25 118.16 1jys h VAL 226 Ca 0.00 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1jys h VAL 226 Cb 1.05 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1jys h VAL 226 CO 0.09 0.22 0.25 -0.61 0.02 0.00 0.00 177.57 177.53 1jys h GLN 227 N 0.03 0.97 0.21 1.57 5.75 -1.41 -0.75 115.11 121.48 1jys h GLN 227 Ca 0.05 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 1jys h GLN 227 Cb 0.31 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 1jys h GLN 227 CO 0.00 0.82 -0.13 -0.22 -2.65 0.00 0.00 178.83 176.66 1jys h LYS 228 N 0.91 -0.31 0.00 1.69 3.64 -1.17 -1.77 116.57 119.55 1jys h LYS 228 Ca 0.21 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1jys h LYS 228 Cb 0.22 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1jys h LYS 228 CO -0.02 -0.21 -0.09 -0.07 -2.27 0.00 0.00 179.45 176.79 1jys h LEU 229 N -0.33 0.00 0.00 5.20 3.38 -1.16 -3.51 115.31 118.89 1jys h LEU 229 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jys h LEU 229 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1jys h LEU 229 CO 0.02 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.64