#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysz s SER 2 N 0.00 3.05 -0.19 1.61 0.01 -1.26 -5.03 113.70 111.90 2ysz s SER 2 Ca 0.00 -0.58 -0.15 0.00 1.31 0.00 0.00 55.95 56.54 2ysz s SER 2 Cb 0.00 -1.40 -0.08 0.00 0.21 0.00 0.00 66.02 64.75 2ysz s SER 2 CO 0.00 0.10 -0.21 -0.24 0.41 0.00 0.00 173.24 173.30 2ysz n SER 3 N 3.88 1.89 -1.44 2.44 2.88 -1.26 -5.04 113.62 116.97 2ysz n SER 3 Ca -0.20 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2ysz n SER 3 Cb 0.52 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2ysz n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysz n GLY 4 N 1.47 2.76 3.84 0.46 0.00 -1.26 -5.11 105.19 107.36 2ysz n GLY 4 Ca -0.21 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.31 2ysz n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysz s SER 5 N -0.86 6.71 0.00 1.61 0.01 -1.26 -4.96 113.70 114.95 2ysz s SER 5 Ca 0.00 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2ysz s SER 5 Cb 0.00 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2ysz s SER 5 CO 0.00 0.34 0.00 -1.20 0.41 0.00 0.00 173.24 172.79 2ysz n SER 6 N 1.88 1.66 0.00 2.44 7.64 -1.26 -5.17 113.62 120.81 2ysz n SER 6 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2ysz n SER 6 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2ysz n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysz n GLY 7 N 2.60 0.09 3.77 0.23 0.00 -1.26 -5.12 105.19 105.50 2ysz n GLY 7 Ca 0.00 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 2ysz n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysz s PRO 8 N -2.00 4.46 0.13 1.61 0.04 -1.26 -4.93 135.00 133.06 2ysz s PRO 8 Ca 0.00 2.06 -0.34 0.00 0.04 0.00 0.00 61.00 62.76 2ysz s PRO 8 Cb 0.00 -3.12 -0.16 0.00 0.04 0.00 0.00 34.50 31.26 2ysz s PRO 8 CO 0.00 -0.04 1.23 0.25 0.04 0.00 0.00 177.00 178.48 2ysz n THR 9 N 0.97 0.52 -2.20 1.26 -2.24 -1.26 -4.88 114.28 106.45 2ysz n THR 9 Ca -0.00 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 2ysz n THR 9 Cb 0.43 -0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 67.81 2ysz n THR 9 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2ysz s PRO 10 N -0.02 4.33 0.36 -0.78 0.04 -1.26 -5.03 135.00 132.64 2ysz s PRO 10 Ca 0.78 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.93 2ysz s PRO 10 Cb -0.90 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 30.38 2ysz s PRO 10 CO 0.50 -0.42 0.49 0.15 0.04 0.00 0.00 177.00 177.76 2ysz s LYS 11 N 1.10 3.01 -0.07 4.56 1.02 -1.26 -5.12 119.74 122.97 2ysz s LYS 11 Ca 0.64 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 55.54 2ysz s LYS 11 Cb -0.36 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 2ysz s LYS 11 CO 0.30 -0.04 -0.08 -0.08 -0.92 0.00 0.00 175.35 174.54 2ysz s THR 12 N -2.24 0.85 0.47 2.17 -1.32 -1.26 -5.15 115.64 109.17 2ysz s THR 12 Ca 0.48 -0.27 0.02 0.00 -1.21 0.00 0.00 61.69 60.71 2ysz s THR 12 Cb -0.09 -0.84 0.02 0.00 -1.51 0.00 0.00 72.50 70.07 2ysz s THR 12 CO 0.31 0.31 0.13 -0.62 -2.21 0.00 0.00 174.62 172.54 2ysz n GLU 13 N 4.25 0.84 -2.65 7.08 -0.58 -1.26 -5.11 120.64 123.21 2ysz n GLU 13 Ca -0.20 -3.28 -0.41 0.00 -0.42 0.00 0.00 57.16 52.86 2ysz n GLU 13 Cb 0.51 0.70 -0.05 0.00 -0.57 0.00 0.00 31.44 32.03 2ysz n GLU 13 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ysz s LEU 14 N 0.00 4.54 0.03 -4.62 2.01 -1.26 -5.02 118.68 114.36 2ysz s LEU 14 Ca 0.10 1.96 0.00 0.00 0.01 0.00 0.00 54.13 56.21 2ysz s LEU 14 Cb -0.01 -3.60 -0.02 0.00 0.01 0.00 0.00 46.19 42.57 2ysz s LEU 14 CO 0.06 -0.06 -0.04 0.54 1.01 0.00 0.00 176.35 177.86 2ysz s VAL 15 N -0.47 0.20 0.05 -1.59 0.11 -1.26 -3.72 120.40 113.72 2ysz s VAL 15 Ca 0.46 -0.99 0.07 0.00 -2.93 0.00 0.00 61.98 58.59 2ysz s VAL 15 Cb -0.27 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2ysz s VAL 15 CO 0.33 -0.50 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.29 2ysz s GLN 16 N -1.61 1.35 0.23 1.54 -0.21 -1.20 -4.98 119.66 114.78 2ysz s GLN 16 Ca -0.14 -0.95 0.07 0.00 0.02 0.00 0.00 55.36 54.37 2ysz s GLN 16 Cb -0.09 -1.47 -0.04 0.00 1.00 0.00 0.00 33.01 32.41 2ysz s GLN 16 CO -0.01 0.37 0.14 -1.59 -2.12 0.00 0.00 175.29 172.08 2ysz s LYS 17 N -1.23 2.78 -0.04 2.91 0.00 -1.26 -0.66 119.74 122.24 2ysz s LYS 17 Ca 0.07 -1.09 -0.00 0.00 0.00 0.00 0.00 55.97 54.95 2ysz s LYS 17 Cb -0.09 -2.49 0.03 0.00 0.00 0.00 0.00 37.83 35.27 2ysz s LYS 17 CO 0.02 0.41 0.01 -0.06 0.00 0.00 0.00 175.35 175.73 2ysz s PHE 18 N -2.07 0.34 -0.30 1.78 0.08 -0.21 -4.89 117.98 112.71 2ysz s PHE 18 Ca 0.32 0.02 -0.28 0.00 0.12 0.00 0.00 56.93 57.10 2ysz s PHE 18 Cb -0.08 -0.50 -0.02 0.00 -0.57 0.00 0.00 43.02 41.84 2ysz s PHE 18 CO 0.23 -0.18 1.85 0.50 -0.10 0.00 0.00 175.22 177.52 2ysz s ARG 19 N 1.44 3.34 0.21 0.44 3.00 -1.26 -1.00 118.95 125.12 2ysz s ARG 19 Ca -0.04 1.55 -0.01 0.00 -1.00 0.00 0.00 55.73 56.22 2ysz s ARG 19 Cb -0.13 -4.21 0.01 0.00 0.00 0.00 0.00 34.95 30.61 2ysz s ARG 19 CO -0.03 -1.85 0.30 1.33 0.00 0.00 0.00 175.30 175.05 2ysz n VAL 20 N 7.42 0.00 -4.48 7.11 0.24 -0.92 -4.03 118.33 123.66 2ysz n VAL 20 Ca 0.24 -1.06 -0.23 0.00 -2.04 0.00 0.00 64.34 61.24 2ysz n VAL 20 Cb 0.46 0.66 -0.10 0.00 -1.47 0.00 0.00 33.84 33.39 2ysz n VAL 20 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2ysz s GLN 21 N -2.47 1.68 -0.23 7.34 -0.21 -0.86 -0.77 119.66 124.13 2ysz s GLN 21 Ca 0.17 -1.88 -0.00 0.00 0.02 0.00 0.00 55.36 53.68 2ysz s GLN 21 Cb -0.01 -1.33 0.03 0.00 1.00 0.00 0.00 33.01 32.70 2ysz s GLN 21 CO 0.12 0.04 -0.10 -0.47 -2.12 0.00 0.00 175.29 172.76 2ysz s TYR 22 N -2.90 3.04 -0.04 0.91 5.04 -1.09 -2.20 117.35 120.12 2ysz s TYR 22 Ca 0.32 -1.74 -0.21 0.00 -2.44 0.00 0.00 57.07 53.00 2ysz s TYR 22 Cb 0.04 -2.00 -0.32 0.00 0.35 0.00 0.00 41.96 40.04 2ysz s TYR 22 CO 0.14 -0.78 0.90 -0.07 -1.34 0.00 0.00 175.55 174.40 2ysz h LEU 23 N 7.94 0.52 0.00 6.97 4.07 -1.92 -3.34 115.31 129.55 2ysz h LEU 23 Ca -0.33 -0.95 0.00 0.00 0.08 0.00 0.00 57.88 56.68 2ysz h LEU 23 Cb 1.10 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.67 2ysz h LEU 23 CO 0.57 1.44 0.00 0.61 -1.08 0.00 0.00 178.44 179.98 2ysz n GLY 24 N 1.68 0.23 3.69 0.83 0.00 -1.26 -4.83 105.19 105.53 2ysz n GLY 24 Ca -0.15 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 2ysz n GLY 24 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ysz s MET 25 N -1.68 3.12 -0.08 1.61 1.75 -1.26 -3.79 119.30 118.97 2ysz s MET 25 Ca 0.00 -0.38 -0.03 0.00 -1.25 0.00 0.00 55.69 54.03 2ysz s MET 25 Cb 0.00 -2.87 0.04 0.00 2.84 0.00 0.00 34.83 34.85 2ysz s MET 25 CO 0.00 0.67 0.09 -1.17 -0.65 0.00 0.00 175.02 173.95 2ysz s LEU 26 N -0.78 0.15 0.52 4.11 1.98 -0.88 -5.01 118.68 118.78 2ysz s LEU 26 Ca 0.12 -0.06 -0.20 0.00 -2.89 0.00 0.00 54.13 51.10 2ysz s LEU 26 Cb -0.12 -0.09 -0.06 0.00 0.66 0.00 0.00 46.19 46.58 2ysz s LEU 26 CO 0.02 -0.28 1.14 -2.16 -1.89 0.00 0.00 176.35 173.19 2ysz s PRO 27 N 2.19 3.47 -0.01 0.98 0.04 -1.26 0.14 135.00 140.55 2ysz s PRO 27 Ca 0.04 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.77 2ysz s PRO 27 Cb -0.13 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 2ysz s PRO 27 CO -0.05 -0.76 -0.09 0.14 0.04 0.00 0.00 177.00 176.28 2ysz s VAL 28 N -1.71 0.74 -2.24 -0.36 -7.23 -0.90 -4.80 120.40 103.90 2ysz s VAL 28 Ca 0.70 -0.39 0.28 0.00 -1.81 0.00 0.00 61.98 60.76 2ysz s VAL 28 Cb -0.25 -0.63 0.49 0.00 0.56 0.00 0.00 36.38 36.55 2ysz s VAL 28 CO 0.29 0.21 1.73 0.47 -0.31 0.00 0.00 175.10 177.50 2ysz n ASP 29 N 2.93 1.25 -4.10 4.85 8.00 -1.26 -3.89 116.55 124.33 2ysz n ASP 29 Ca -0.14 -1.27 -0.26 0.00 0.71 0.00 0.00 54.79 53.82 2ysz n ASP 29 Cb 0.56 0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.53 2ysz n ASP 29 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ysz s ARG 30 N -2.15 1.88 0.35 -1.24 1.81 -1.26 -5.03 118.95 113.31 2ysz s ARG 30 Ca 0.35 -0.56 0.14 0.00 -1.72 0.00 0.00 55.73 53.93 2ysz s ARG 30 Cb 0.21 -1.57 0.64 0.00 -0.45 0.00 0.00 34.95 33.78 2ysz s ARG 30 CO 0.39 0.16 1.75 -1.00 -0.68 0.00 0.00 175.30 175.92 2ysz h PRO 31 N 6.56 0.00 0.00 3.54 0.13 -1.92 -3.46 132.00 136.85 2ysz h PRO 31 Ca -0.30 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.54 2ysz h PRO 31 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2ysz h PRO 31 CO 0.48 0.44 -0.26 1.33 -0.23 0.00 0.00 178.00 179.76 2ysz n VAL 32 N -3.86 0.00 0.00 1.56 0.24 -1.26 -3.76 118.33 111.24 2ysz n VAL 32 Ca -0.01 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.96 2ysz n VAL 32 Cb 0.48 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 2ysz n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ysz n GLY 33 N 0.12 0.99 0.26 7.63 0.00 -1.26 -4.71 105.19 108.21 2ysz n GLY 33 Ca 0.01 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 45.01 2ysz n GLY 33 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2ysz h MET 34 N 0.00 0.10 0.00 1.61 2.86 -1.95 -0.33 114.93 117.22 2ysz h MET 34 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2ysz h MET 34 Cb 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2ysz h MET 34 CO 0.00 0.12 0.00 -0.44 1.06 0.00 0.00 176.91 177.65 2ysz h ASP 35 N 0.10 0.00 0.01 1.22 3.32 -1.99 -1.68 116.42 117.40 2ysz h ASP 35 Ca 0.03 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.67 2ysz h ASP 35 Cb 0.08 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.57 2ysz h ASP 35 CO 0.00 0.00 -2.36 0.41 -1.72 0.00 0.00 179.24 175.57 2ysz n THR 36 N -2.65 1.54 0.06 0.35 -1.04 -0.19 -3.72 114.28 108.63 2ysz n THR 36 Ca -0.01 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.05 61.44 2ysz n THR 36 Cb 0.15 -1.71 -0.06 0.00 -1.82 0.00 0.00 70.33 66.89 2ysz n THR 36 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2ysz h LEU 37 N -0.52 -0.12 -1.38 -4.42 6.46 -1.25 -2.31 115.31 111.76 2ysz h LEU 37 Ca -0.60 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.12 2ysz h LEU 37 Cb 1.73 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.70 2ysz h LEU 37 CO -0.23 -0.07 -0.13 0.78 -0.62 0.00 0.00 178.44 178.16 2ysz h ASN 38 N -0.10 0.23 0.38 1.25 2.35 -1.54 -1.78 115.58 116.38 2ysz h ASN 38 Ca 0.01 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2ysz h ASN 38 Cb 0.10 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 2ysz h ASN 38 CO -0.03 0.40 -0.01 -1.28 -1.65 0.00 0.00 177.43 174.86 2ysz h SER 39 N 0.23 0.00 1.09 5.81 0.87 -1.51 -0.99 113.55 119.06 2ysz h SER 39 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2ysz h SER 39 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2ysz h SER 39 CO 0.02 0.01 -0.82 0.00 -0.53 0.00 0.00 176.83 175.51 2ysz h ALA 40 N 1.99 0.57 0.20 6.23 0.00 -1.01 -3.29 119.26 123.96 2ysz h ALA 40 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ysz h ALA 40 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ysz h ALA 40 CO 0.00 0.00 -0.10 0.82 0.00 0.00 0.00 179.25 179.97 2ysz h ILE 41 N 0.00 0.00 -0.86 0.00 2.04 -1.12 -3.24 117.51 114.33 2ysz h ILE 41 Ca 0.00 -0.61 0.17 0.00 1.00 0.00 0.00 64.86 65.42 2ysz h ILE 41 Cb 0.96 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 2ysz h ILE 41 CO 0.00 0.00 0.57 -0.33 0.00 0.00 0.00 178.15 178.39 2ysz h GLU 42 N -0.88 0.48 -0.96 2.37 3.07 -1.72 0.57 114.58 117.51 2ysz h GLU 42 Ca -0.03 -0.03 0.10 0.00 -0.50 0.00 0.00 59.36 58.91 2ysz h GLU 42 Cb 0.21 -0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 27.94 2ysz h GLU 42 CO 0.05 0.32 0.61 -0.91 -1.40 0.00 0.00 179.01 177.68 2ysz h ASN 43 N 0.49 0.88 0.13 1.42 2.35 -1.65 0.15 115.58 119.36 2ysz h ASN 43 Ca 0.44 0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 56.02 2ysz h ASN 43 Cb 0.96 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.19 2ysz h ASN 43 CO -0.18 0.50 -0.97 -0.07 -1.65 0.00 0.00 177.43 175.07 2ysz h LEU 44 N 0.97 0.42 -0.51 1.61 3.38 -0.97 -3.22 115.31 116.98 2ysz h LEU 44 Ca 0.45 -0.92 0.06 0.00 0.09 0.00 0.00 57.88 57.57 2ysz h LEU 44 Cb 0.42 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 2ysz h LEU 44 CO -0.21 1.45 0.21 0.24 0.09 0.00 0.00 178.44 180.21 2ysz h MET 45 N -0.39 0.39 -0.50 1.13 2.86 -0.83 0.85 114.93 118.44 2ysz h MET 45 Ca -0.19 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2ysz h MET 45 Cb 1.65 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 33.19 2ysz h MET 45 CO 0.11 0.26 0.30 1.79 1.06 0.00 0.00 176.91 180.43 2ysz h THR 46 N 0.40 1.14 0.12 2.22 1.35 -0.84 -3.24 112.91 114.07 2ysz h THR 46 Ca 0.24 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.78 2ysz h THR 46 Cb 0.24 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 2ysz h THR 46 CO -0.23 0.15 -0.06 -1.28 -0.25 0.00 0.00 175.52 173.85 2ysz h SER 47 N 0.69 -0.14 -2.67 5.36 0.87 -1.23 -3.47 113.55 112.95 2ysz h SER 47 Ca 0.18 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 60.18 2ysz h SER 47 Cb -0.03 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 2ysz h SER 47 CO -0.03 0.04 -0.53 -0.44 -0.53 0.00 0.00 176.83 175.33 2ysz s SER 48 N -3.62 5.81 0.61 6.23 0.01 0.17 -5.11 113.70 117.80 2ysz s SER 48 Ca -0.02 -0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.25 2ysz s SER 48 Cb 0.00 -1.61 0.08 0.00 0.21 0.00 0.00 66.02 64.71 2ysz s SER 48 CO 0.07 0.07 0.84 -0.44 0.41 0.00 0.00 173.24 174.19 2ysz s SER 49 N -3.11 4.91 0.11 2.44 0.01 -1.26 -4.28 113.70 112.52 2ysz s SER 49 Ca 0.32 -0.43 -0.23 0.00 1.31 0.00 0.00 55.95 56.92 2ysz s SER 49 Cb -0.10 -0.19 -0.10 0.00 0.21 0.00 0.00 66.02 65.84 2ysz s SER 49 CO 0.25 -1.43 1.71 0.50 0.41 0.00 0.00 173.24 174.67 2ysz h LYS 50 N -0.07 -0.12 0.00 12.44 1.63 -1.96 -1.26 116.57 127.23 2ysz h LYS 50 Ca -0.36 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2ysz h LYS 50 Cb 1.28 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 2ysz h LYS 50 CO 0.43 -0.08 0.00 1.05 -3.45 0.00 0.00 179.45 177.40 2ysz h GLU 51 N -0.13 0.00 0.00 1.90 4.11 -2.02 -2.06 114.58 116.38 2ysz h GLU 51 Ca 0.03 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.41 2ysz h GLU 51 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2ysz h GLU 51 CO -0.08 0.00 -0.27 0.22 0.07 0.00 0.00 179.01 178.95 2ysz h ASP 52 N 0.00 0.00 -2.98 3.06 1.82 -1.62 -3.43 116.42 113.26 2ysz h ASP 52 Ca 0.00 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.07 2ysz h ASP 52 Cb 0.37 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.33 2ysz h ASP 52 CO 0.00 0.27 0.85 0.26 -1.61 0.00 0.00 179.24 179.01 2ysz s TRP 53 N -3.35 3.04 0.13 0.28 0.51 -0.78 -4.89 118.94 113.89 2ysz s TRP 53 Ca 0.03 1.18 -0.31 0.00 -2.12 0.00 0.00 56.10 54.88 2ysz s TRP 53 Cb 0.08 -3.42 -0.08 0.00 -0.81 0.00 0.00 33.47 29.25 2ysz s TRP 53 CO 0.67 -1.26 1.35 -1.25 -0.51 0.00 0.00 176.95 175.96 2ysz s PRO 54 N 3.28 4.35 -0.02 4.98 0.04 -1.25 -4.68 135.00 141.69 2ysz s PRO 54 Ca 0.51 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.29 2ysz s PRO 54 Cb -0.20 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.04 2ysz s PRO 54 CO 0.13 -0.37 1.51 -1.12 0.04 0.00 0.00 177.00 177.19 2ysz s SER 55 N 0.90 6.76 0.22 6.66 0.01 -1.26 -2.68 113.70 124.31 2ysz s SER 55 Ca 0.62 2.18 0.03 0.00 1.31 0.00 0.00 55.95 60.08 2ysz s SER 55 Cb -0.36 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.31 2ysz s SER 55 CO 0.32 -0.82 0.09 1.33 0.41 0.00 0.00 173.24 174.58 2ysz n VAL 56 N 5.00 0.00 -4.38 3.43 0.24 0.05 -3.78 118.33 118.89 2ysz n VAL 56 Ca 0.15 -1.34 -0.29 0.00 -2.04 0.00 0.00 64.34 60.81 2ysz n VAL 56 Cb 0.43 0.51 -0.17 0.00 -1.47 0.00 0.00 33.84 33.15 2ysz n VAL 56 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2ysz s ASN 57 N -2.39 2.59 -0.52 -1.34 0.01 -0.55 -2.17 114.94 110.58 2ysz s ASN 57 Ca 0.13 -0.47 -0.24 0.00 -0.71 0.00 0.00 52.86 51.58 2ysz s ASN 57 Cb 0.01 -1.16 0.04 0.00 0.41 0.00 0.00 41.25 40.54 2ysz s ASN 57 CO 0.09 0.01 0.88 -0.32 -1.51 0.00 0.00 177.10 176.25 2ysz s MET 58 N 1.09 3.35 -0.33 -0.60 -2.45 -0.17 -2.13 119.30 118.07 2ysz s MET 58 Ca -0.04 -0.23 -0.20 0.00 -1.25 0.00 0.00 55.69 53.97 2ysz s MET 58 Cb -0.14 -4.02 -0.01 0.00 1.25 0.00 0.00 34.83 31.91 2ysz s MET 58 CO -0.04 -1.36 0.61 -0.80 1.05 0.00 0.00 175.02 174.48 2ysz s ASN 59 N 2.62 6.44 -0.35 1.11 0.01 0.57 -1.04 114.94 124.30 2ysz s ASN 59 Ca 0.30 0.28 0.02 0.00 -0.71 0.00 0.00 52.86 52.74 2ysz s ASN 59 Cb -0.13 -2.32 0.09 0.00 0.41 0.00 0.00 41.25 39.31 2ysz s ASN 59 CO 0.20 -0.51 0.07 -0.69 -1.51 0.00 0.00 177.10 174.66 2ysz s VAL 60 N 2.60 2.58 0.59 1.60 1.01 0.17 0.69 120.40 129.62 2ysz s VAL 60 Ca 0.24 -2.12 -0.09 0.00 0.00 0.00 0.00 61.98 60.01 2ysz s VAL 60 Cb -0.15 -2.79 0.13 0.00 0.00 0.00 0.00 36.38 33.57 2ysz s VAL 60 CO 0.13 -0.52 0.80 0.00 0.00 0.00 0.00 175.10 175.50 2ysz n ALA 61 N 4.39 -0.81 -0.09 5.51 0.00 0.41 -3.24 120.51 126.68 2ysz n ALA 61 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2ysz n ALA 61 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2ysz n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ysz n ASP 62 N -3.45 0.00 -2.19 0.00 8.00 -1.24 -3.39 116.55 114.27 2ysz n ASP 62 Ca 0.10 0.96 -0.26 0.00 0.71 0.00 0.00 54.79 56.30 2ysz n ASP 62 Cb 0.36 -0.46 0.02 0.00 -0.02 0.00 0.00 41.12 41.02 2ysz n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ysz n ALA 63 N -2.54 5.13 -3.53 2.24 0.00 -1.26 -4.48 120.51 116.06 2ysz n ALA 63 Ca 0.00 -3.94 -0.17 0.00 0.00 0.00 0.00 53.44 49.33 2ysz n ALA 63 Cb 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 2ysz n ALA 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ysz s THR 64 N -4.90 0.00 -0.31 0.00 2.01 -1.22 -3.86 115.64 107.37 2ysz s THR 64 Ca 0.51 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.49 2ysz s THR 64 Cb 0.41 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 72.02 2ysz s THR 64 CO -0.04 0.00 0.10 -0.69 -0.69 0.00 0.00 174.62 173.30 2ysz s VAL 65 N -1.07 0.70 0.05 3.82 1.01 0.71 0.16 120.40 125.78 2ysz s VAL 65 Ca -0.10 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.62 2ysz s VAL 65 Cb -0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2ysz s VAL 65 CO 0.09 -0.68 0.14 -0.89 0.00 0.00 0.00 175.10 173.76 2ysz s THR 66 N 1.71 5.00 -0.24 3.92 2.01 0.22 -0.19 115.64 128.06 2ysz s THR 66 Ca 0.10 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 2ysz s THR 66 Cb -0.17 -3.40 0.01 0.00 0.01 0.00 0.00 72.50 68.95 2ysz s THR 66 CO -0.27 0.18 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.10 2ysz s VAL 67 N -1.41 3.16 0.09 3.82 1.01 0.44 -0.31 120.40 127.19 2ysz s VAL 67 Ca 0.31 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2ysz s VAL 67 Cb -0.13 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2ysz s VAL 67 CO 0.23 0.32 -0.08 -0.63 0.00 0.00 0.00 175.10 174.93 2ysz s ILE 68 N 1.41 3.48 0.20 2.22 1.01 -0.90 -0.48 121.20 128.15 2ysz s ILE 68 Ca 0.03 -1.17 -0.10 0.00 0.00 0.00 0.00 60.65 59.42 2ysz s ILE 68 Cb -0.15 -2.62 -0.07 0.00 0.01 0.00 0.00 42.46 39.63 2ysz s ILE 68 CO -0.04 0.15 0.54 -0.55 0.00 0.00 0.00 174.94 175.04 2ysz s SER 69 N -2.11 6.66 0.54 3.58 0.15 -0.75 -1.48 113.70 120.29 2ysz s SER 69 Ca 0.21 0.93 0.32 0.00 0.70 0.00 0.00 55.95 58.12 2ysz s SER 69 Cb -0.11 -2.23 1.47 0.00 -1.71 0.00 0.00 66.02 63.44 2ysz s SER 69 CO 0.13 -0.02 2.04 -0.33 1.20 0.00 0.00 173.24 176.26 2ysz h GLU 70 N 2.80 0.00 0.58 5.44 5.08 -1.90 -3.20 114.58 123.39 2ysz h GLU 70 Ca -0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 2ysz h GLU 70 Cb 1.17 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.43 2ysz h GLU 70 CO 0.68 0.07 -0.28 0.87 -1.00 0.00 0.00 179.01 179.35 2ysz h LYS 71 N 0.00 -0.76 -5.13 2.33 1.79 -1.93 -3.45 116.57 109.42 2ysz h LYS 71 Ca -0.00 0.05 -0.54 0.00 -2.18 0.00 0.00 60.65 57.98 2ysz h LYS 71 Cb 0.44 0.17 -0.31 0.00 -1.58 0.00 0.00 32.23 30.95 2ysz h LYS 71 CO 0.01 -0.50 -0.83 -0.80 -1.08 0.00 0.00 179.45 176.25 2ysz s ASN 72 N -4.33 2.00 0.49 0.86 0.01 -1.21 -5.01 114.94 107.75 2ysz s ASN 72 Ca -0.11 -0.33 0.24 0.00 -0.71 0.00 0.00 52.86 51.95 2ysz s ASN 72 Cb 0.01 -0.59 1.29 0.00 0.41 0.00 0.00 41.25 42.37 2ysz s ASN 72 CO 0.34 0.13 2.02 -0.33 -1.51 0.00 0.00 177.10 177.76 2ysz h GLU 73 N 6.34 0.00 -0.07 -0.60 5.08 -1.88 -1.12 114.58 122.33 2ysz h GLU 73 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2ysz h GLU 73 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2ysz h GLU 73 CO 0.48 0.16 0.00 -0.85 -1.00 0.00 0.00 179.01 177.80 2ysz n GLU 74 N -3.74 1.58 -2.71 2.33 0.28 -1.26 -4.67 120.64 112.45 2ysz n GLU 74 Ca -0.02 -0.86 -0.43 0.00 -0.16 0.00 0.00 57.16 55.70 2ysz n GLU 74 Cb 0.27 -1.44 -0.01 0.00 1.43 0.00 0.00 31.44 31.69 2ysz n GLU 74 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2ysz s GLU 75 N -1.92 3.92 -1.09 3.44 2.12 -0.42 -4.93 118.70 119.81 2ysz s GLU 75 Ca 0.36 -2.01 -0.22 0.00 0.36 0.00 0.00 54.97 53.47 2ysz s GLU 75 Cb 0.19 -5.32 0.05 0.00 0.26 0.00 0.00 34.13 29.32 2ysz s GLU 75 CO 0.30 -2.07 1.54 0.54 -0.54 0.00 0.00 175.26 175.03 2ysz s VAL 76 N 3.45 3.96 0.11 3.70 0.11 -1.26 -1.81 120.40 128.66 2ysz s VAL 76 Ca 0.48 -1.06 -0.32 0.00 -2.93 0.00 0.00 61.98 58.15 2ysz s VAL 76 Cb 0.01 -5.08 -0.11 0.00 -1.53 0.00 0.00 36.38 29.66 2ysz s VAL 76 CO 0.01 -1.95 1.58 -0.07 -3.33 0.00 0.00 175.10 171.35 2ysz h LEU 77 N 12.84 -1.28 -8.22 2.54 3.38 -1.12 -3.45 115.31 119.99 2ysz h LEU 77 Ca 0.26 0.14 -0.21 0.00 0.09 0.00 0.00 57.88 58.17 2ysz h LEU 77 Cb 0.97 0.47 -0.18 0.00 0.09 0.00 0.00 40.66 42.02 2ysz h LEU 77 CO 1.43 -0.51 -0.71 -0.69 0.09 0.00 0.00 178.44 178.06 2ysz s VAL 78 N -5.89 0.43 -0.37 1.22 1.01 -1.20 -5.01 120.40 110.59 2ysz s VAL 78 Ca -0.16 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.39 2ysz s VAL 78 Cb 0.07 -1.03 0.11 0.00 0.00 0.00 0.00 36.38 35.53 2ysz s VAL 78 CO 0.63 -0.67 0.14 -0.70 0.00 0.00 0.00 175.10 174.50 2ysz s GLU 79 N -2.68 1.10 0.01 2.72 2.12 -1.26 -0.42 118.70 120.30 2ysz s GLU 79 Ca -0.02 -1.61 -0.02 0.00 0.36 0.00 0.00 54.97 53.69 2ysz s GLU 79 Cb -0.02 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.94 2ysz s GLU 79 CO -0.04 -1.04 0.20 0.00 -0.54 0.00 0.00 175.26 173.84 2ysz s ARG 81 N -2.10 1.03 0.28 0.00 0.52 -1.26 -0.21 118.95 117.22 2ysz s ARG 81 Ca 0.30 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 55.29 2ysz s ARG 81 Cb -0.13 -0.95 0.58 0.00 0.52 0.00 0.00 34.95 34.97 2ysz s ARG 81 CO 0.21 0.01 1.82 -0.39 0.02 0.00 0.00 175.30 176.98 2ysz h VAL 82 N 5.84 0.88 0.00 3.52 -1.51 -1.91 0.59 116.25 123.65 2ysz h VAL 82 Ca -0.35 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2ysz h VAL 82 Cb 1.17 -0.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 2ysz h VAL 82 CO 0.48 0.17 0.00 -2.11 -1.23 0.00 0.00 177.57 174.88 2ysz n ARG 83 N -4.66 0.68 0.00 5.19 1.85 -1.26 -2.42 116.66 116.04 2ysz n ARG 83 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 2ysz n ARG 83 Cb 0.39 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 2ysz n ARG 83 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2ysz n PHE 84 N -0.89 0.00 -2.18 2.89 3.72 0.17 -4.65 117.46 116.53 2ysz n PHE 84 Ca 0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.10 2ysz n PHE 84 Cb 0.06 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 2ysz n PHE 84 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2ysz s LEU 85 N -1.96 4.36 -0.23 4.37 0.20 0.60 -1.87 118.68 124.15 2ysz s LEU 85 Ca 0.00 2.27 -0.19 0.00 0.69 0.00 0.00 54.13 56.91 2ysz s LEU 85 Cb 0.00 -3.58 -0.16 0.00 -0.43 0.00 0.00 46.19 42.02 2ysz s LEU 85 CO 0.00 -0.67 0.01 -0.24 -0.29 0.00 0.00 176.35 175.16 2ysz n SER 86 N 4.34 1.89 -3.71 3.68 2.88 -0.24 -4.58 113.62 117.87 2ysz n SER 86 Ca 0.12 0.40 -0.14 0.00 -1.33 0.00 0.00 58.87 57.93 2ysz n SER 86 Cb 0.43 -0.91 -0.09 0.00 -0.75 0.00 0.00 64.21 62.89 2ysz n SER 86 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2ysz s PHE 87 N -2.41 -0.40 0.06 0.66 5.36 -1.14 -3.10 117.98 117.01 2ysz s PHE 87 Ca -0.31 0.86 0.01 0.00 -0.96 0.00 0.00 56.93 56.52 2ysz s PHE 87 Cb 0.08 0.17 -0.04 0.00 -0.34 0.00 0.00 43.02 42.90 2ysz s PHE 87 CO 0.54 -0.33 -0.05 0.00 -1.46 0.00 0.00 175.22 173.92 2ysz s MET 88 N -0.47 0.64 -0.01 10.12 0.23 -1.09 0.50 119.30 129.22 2ysz s MET 88 Ca -0.06 -1.11 -0.29 0.00 -1.03 0.00 0.00 55.69 53.20 2ysz s MET 88 Cb -0.03 -0.04 0.11 0.00 -1.53 0.00 0.00 34.83 33.34 2ysz s MET 88 CO 0.03 -0.04 1.28 0.20 -2.03 0.00 0.00 175.02 174.45 2ysz s GLY 89 N -2.55 -0.29 -0.01 3.16 0.00 -0.93 -1.94 107.32 104.76 2ysz s GLY 89 Ca 0.03 0.41 0.01 0.00 0.00 0.00 0.00 44.72 45.17 2ysz s GLY 89 CO -0.05 2.16 0.01 0.14 0.00 0.00 0.00 173.10 175.35 2ysz s VAL 90 N -2.27 4.21 0.00 1.40 1.01 -1.18 -2.54 120.40 121.03 2ysz s VAL 90 Ca 0.20 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2ysz s VAL 90 Cb 0.03 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2ysz s VAL 90 CO -0.02 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2ysz n GLY 91 N 1.42 -2.47 0.35 4.51 0.00 -1.24 -4.20 105.19 103.56 2ysz n GLY 91 Ca -0.15 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 2ysz n GLY 91 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ysz h LYS 92 N 0.00 1.21 -5.63 1.61 1.63 -1.97 -3.42 116.57 109.99 2ysz h LYS 92 Ca 0.00 -0.20 -0.65 0.00 -0.85 0.00 0.00 60.65 58.95 2ysz h LYS 92 Cb 0.00 -0.21 -0.08 0.00 -0.60 0.00 0.00 32.23 31.35 2ysz h LYS 92 CO 0.00 0.95 -0.43 0.34 -3.45 0.00 0.00 179.45 176.86 2ysz s ASP 93 N -6.33 6.43 0.00 4.20 -1.08 -1.26 -4.96 116.67 113.66 2ysz s ASP 93 Ca -0.12 0.51 0.07 0.00 -0.52 0.00 0.00 52.55 52.48 2ysz s ASP 93 Cb 0.16 -2.10 0.32 0.00 -1.46 0.00 0.00 42.92 39.84 2ysz s ASP 93 CO 0.84 0.35 1.17 1.33 0.52 0.00 0.00 175.17 179.38 2ysz n VAL 94 N 2.25 1.28 0.24 1.11 0.24 -1.26 -1.27 118.33 120.92 2ysz n VAL 94 Ca -0.18 0.32 0.12 0.00 -2.04 0.00 0.00 64.34 62.56 2ysz n VAL 94 Cb 0.54 -1.20 0.16 0.00 -1.47 0.00 0.00 33.84 31.86 2ysz n VAL 94 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 2ysz h HIS 95 N 0.00 0.00 -2.95 6.34 3.86 -1.87 0.03 115.15 120.56 2ysz h HIS 95 Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 2ysz h HIS 95 Cb 0.10 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 2ysz h HIS 95 CO 0.00 0.00 -0.45 0.95 0.86 0.00 0.00 177.93 179.29 2ysz s THR 96 N -3.23 5.34 -0.17 2.45 -4.23 -0.40 0.10 115.64 115.51 2ysz s THR 96 Ca 0.06 -0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.28 2ysz s THR 96 Cb 0.07 -3.61 0.08 0.00 1.34 0.00 0.00 72.50 70.38 2ysz s THR 96 CO 0.69 0.16 0.33 0.12 -0.54 0.00 0.00 174.62 175.38 2ysz s PHE 97 N -1.50 -0.60 0.03 3.99 5.36 -0.45 -3.72 117.98 121.08 2ysz s PHE 97 Ca 0.35 1.16 0.05 0.00 -0.96 0.00 0.00 56.93 57.52 2ysz s PHE 97 Cb -0.13 0.09 -0.02 0.00 -0.34 0.00 0.00 43.02 42.63 2ysz s PHE 97 CO 0.25 -0.45 -0.14 0.00 -1.46 0.00 0.00 175.22 173.43 2ysz s ALA 98 N 2.51 1.13 0.11 11.12 0.00 -1.05 -0.22 121.76 135.35 2ysz s ALA 98 Ca 0.01 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.26 2ysz s ALA 98 Cb -0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2ysz s ALA 98 CO -0.11 0.22 -0.12 -0.59 0.00 0.00 0.00 175.76 175.17 2ysz s PHE 99 N -0.74 1.21 -0.27 0.00 -0.12 -0.09 -2.20 117.98 115.77 2ysz s PHE 99 Ca 0.02 -0.63 -0.04 0.00 -0.05 0.00 0.00 56.93 56.23 2ysz s PHE 99 Cb -0.07 -0.64 0.02 0.00 -0.63 0.00 0.00 43.02 41.69 2ysz s PHE 99 CO 0.01 0.07 0.01 0.42 -0.05 0.00 0.00 175.22 175.67 2ysz s ILE 100 N -2.42 3.43 0.35 -4.49 1.01 0.18 -1.87 121.20 117.38 2ysz s ILE 100 Ca 0.08 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.97 2ysz s ILE 100 Cb -0.03 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2ysz s ILE 100 CO 0.01 0.15 0.19 0.00 0.00 0.00 0.00 174.94 175.29 2ysz s MET 101 N 1.42 2.44 -0.26 2.79 0.23 -0.93 -1.08 119.30 123.91 2ysz s MET 101 Ca 0.02 -1.51 -0.05 0.00 -1.03 0.00 0.00 55.69 53.11 2ysz s MET 101 Cb -0.17 -2.24 -0.00 0.00 -1.53 0.00 0.00 34.83 30.89 2ysz s MET 101 CO -0.01 0.08 0.03 -0.51 -2.03 0.00 0.00 175.02 172.58 2ysz s ASP 102 N -3.89 4.80 -0.08 -1.18 1.11 -0.78 -2.02 116.67 114.62 2ysz s ASP 102 Ca 0.39 -0.55 -0.22 0.00 0.18 0.00 0.00 52.55 52.35 2ysz s ASP 102 Cb -0.03 -1.82 -0.29 0.00 1.07 0.00 0.00 42.92 41.85 2ysz s ASP 102 CO 0.24 -0.11 0.78 0.71 1.18 0.00 0.00 175.17 177.97 2ysz h THR 103 N 5.80 1.47 0.00 -1.27 1.35 -1.89 -3.48 112.91 114.88 2ysz h THR 103 Ca -0.36 -2.46 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 2ysz h THR 103 Cb 1.14 3.12 0.00 0.00 -1.73 0.00 0.00 68.15 70.68 2ysz h THR 103 CO 0.60 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 177.15 2ysz n GLY 104 N 1.66 0.79 1.31 5.82 0.00 -1.25 -5.09 105.19 108.42 2ysz n GLY 104 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2ysz n GLY 104 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ysz n ASN 105 N 0.00 0.51 -0.08 1.61 4.13 -1.26 -4.96 115.26 115.22 2ysz n ASN 105 Ca 0.00 0.17 -0.13 0.00 1.68 0.00 0.00 54.58 56.30 2ysz n ASN 105 Cb 0.00 -0.08 -0.06 0.00 -1.54 0.00 0.00 39.78 38.09 2ysz n ASN 105 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ysz n GLN 106 N -3.30 0.35 -1.56 3.52 3.00 -1.26 -4.94 117.38 113.19 2ysz n GLN 106 Ca 0.00 0.11 -0.44 0.00 -0.01 0.00 0.00 57.00 56.66 2ysz n GLN 106 Cb 0.11 -1.20 -0.04 0.00 0.00 0.00 0.00 30.24 29.10 2ysz n GLN 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2ysz n ARG 107 N -3.22 1.66 -4.22 -1.09 1.74 -1.26 -4.95 116.66 105.32 2ysz n ARG 107 Ca -0.28 0.43 -0.30 0.00 -0.77 0.00 0.00 57.85 56.93 2ysz n ARG 107 Cb 0.76 -3.07 -0.09 0.00 -1.02 0.00 0.00 32.46 29.04 2ysz n ARG 107 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2ysz s PHE 108 N 8.46 2.84 -0.06 -1.55 0.08 -1.25 -3.21 117.98 123.30 2ysz s PHE 108 Ca 1.03 -0.10 0.03 0.00 0.12 0.00 0.00 56.93 58.02 2ysz s PHE 108 Cb -0.45 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 2ysz s PHE 108 CO 0.38 0.44 -0.15 -1.21 -0.10 0.00 0.00 175.22 174.58 2ysz s GLU 109 N -2.15 2.58 -0.46 0.44 2.02 -0.86 -2.11 118.70 118.16 2ysz s GLU 109 Ca 0.22 -0.70 -0.09 0.00 0.02 0.00 0.00 54.97 54.42 2ysz s GLU 109 Cb -0.11 -2.39 0.11 0.00 0.10 0.00 0.00 34.13 31.84 2ysz s GLU 109 CO 0.15 0.58 0.33 0.00 0.02 0.00 0.00 175.26 176.34 2ysz s HIS 111 N 1.38 3.61 0.11 0.00 3.76 -0.78 -2.06 115.29 121.31 2ysz s HIS 111 Ca 0.05 0.77 0.09 0.00 -0.15 0.00 0.00 55.06 55.82 2ysz s HIS 111 Cb -0.26 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.15 2ysz s HIS 111 CO -0.00 0.52 -0.23 0.08 -0.85 0.00 0.00 174.74 174.26 2ysz s VAL 112 N -0.51 1.89 -0.13 -0.90 1.01 -1.25 -0.92 120.40 119.60 2ysz s VAL 112 Ca 0.20 -1.63 -0.08 0.00 0.00 0.00 0.00 61.98 60.46 2ysz s VAL 112 Cb -0.14 -1.71 0.05 0.00 0.00 0.00 0.00 36.38 34.57 2ysz s VAL 112 CO 0.08 -0.03 0.31 -0.36 0.00 0.00 0.00 175.10 175.11 2ysz s PHE 113 N -1.18 -0.41 -0.44 5.22 0.40 0.69 -3.69 117.98 118.57 2ysz s PHE 113 Ca 0.09 0.94 -0.27 0.00 -0.60 0.00 0.00 56.93 57.10 2ysz s PHE 113 Cb -0.10 0.13 0.03 0.00 0.51 0.00 0.00 43.02 43.59 2ysz s PHE 113 CO 0.05 -0.24 1.02 -0.46 0.70 0.00 0.00 175.22 176.29 2ysz s TRP 114 N 0.97 2.92 0.53 0.36 -0.11 -0.93 -1.34 118.94 121.33 2ysz s TRP 114 Ca -0.07 0.63 -0.10 0.00 1.22 0.00 0.00 56.10 57.79 2ysz s TRP 114 Cb -0.07 -4.09 -0.05 0.00 -1.50 0.00 0.00 33.47 27.76 2ysz s TRP 114 CO -0.07 -1.10 0.90 0.00 -4.62 0.00 0.00 176.95 172.06 2ysz s GLU 116 N -4.67 0.26 -0.02 0.00 2.02 -1.26 -4.34 118.70 110.68 2ysz s GLU 116 Ca 0.52 0.67 -0.26 0.00 0.02 0.00 0.00 54.97 55.93 2ysz s GLU 116 Cb -0.11 -0.05 -0.20 0.00 0.10 0.00 0.00 34.13 33.87 2ysz s GLU 116 CO 0.44 -0.18 1.27 -1.00 0.02 0.00 0.00 175.26 175.80 2ysz h PRO 117 N 7.39 0.00 0.00 0.39 0.13 -1.98 -3.47 132.00 134.47 2ysz h PRO 117 Ca -0.34 -0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.40 2ysz h PRO 117 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 2ysz h PRO 117 CO 0.30 0.49 -0.28 0.27 -0.23 0.00 0.00 178.00 178.56 2ysz n ASN 118 N -4.85 2.77 -2.63 1.44 6.94 -1.26 -4.62 115.26 113.04 2ysz n ASN 118 Ca -0.08 -2.31 -0.35 0.00 -0.02 0.00 0.00 54.58 51.81 2ysz n ASN 118 Cb 0.25 0.19 0.04 0.00 -2.36 0.00 0.00 39.78 37.90 2ysz n ASN 118 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ysz n ALA 119 N -2.06 6.05 -0.03 -2.53 0.00 -0.00 -4.63 120.51 117.30 2ysz n ALA 119 Ca -0.12 -4.01 -0.20 0.00 0.00 0.00 0.00 53.44 49.11 2ysz n ALA 119 Cb 0.38 -1.50 -0.13 0.00 0.00 0.00 0.00 19.45 18.20 2ysz n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ysz h ALA 120 N 2.64 0.17 0.00 0.00 0.00 -1.92 -3.12 119.26 117.03 2ysz h ALA 120 Ca 0.50 -1.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 2ysz h ALA 120 Cb 0.50 0.46 0.02 0.00 0.00 0.00 0.00 17.79 18.77 2ysz h ALA 120 CO 1.29 0.65 -0.96 -0.91 0.00 0.00 0.00 179.25 179.32 2ysz h ASN 121 N -0.59 0.84 0.33 0.00 2.35 -1.98 -2.73 115.58 113.81 2ysz h ASN 121 Ca -0.26 -0.74 -0.02 0.00 -0.55 0.00 0.00 56.30 54.73 2ysz h ASN 121 Cb 1.52 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2ysz h ASN 121 CO -0.02 1.48 -0.16 0.58 -1.65 0.00 0.00 177.43 177.66 2ysz h VAL 122 N 0.30 0.00 0.00 2.81 2.07 -1.86 -0.09 116.25 119.47 2ysz h VAL 122 Ca -0.12 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2ysz h VAL 122 Cb 1.63 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2ysz h VAL 122 CO 0.19 0.00 0.04 -1.20 0.02 0.00 0.00 177.57 176.62 2ysz n SER 123 N -3.35 0.21 0.02 0.57 7.64 -1.18 -0.88 113.62 116.65 2ysz n SER 123 Ca -0.06 0.57 -0.16 0.00 1.01 0.00 0.00 58.87 60.23 2ysz n SER 123 Cb 0.17 -0.59 -0.14 0.00 -1.01 0.00 0.00 64.21 62.64 2ysz n SER 123 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2ysz h GLU 124 N 0.00 0.19 -0.01 1.43 4.81 -1.17 -3.10 114.58 116.73 2ysz h GLU 124 Ca 0.00 -0.32 -0.22 0.00 -0.13 0.00 0.00 59.36 58.69 2ysz h GLU 124 Cb 0.07 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2ysz h GLU 124 CO 0.00 0.98 -0.92 0.00 -0.73 0.00 0.00 179.01 178.34 2ysz h ALA 125 N 0.48 0.39 0.11 2.92 0.00 0.93 -3.10 119.26 120.99 2ysz h ALA 125 Ca -0.32 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 53.88 2ysz h ALA 125 Cb 2.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2ysz h ALA 125 CO 0.11 0.82 -0.05 -0.24 0.00 0.00 0.00 179.25 179.89 2ysz h VAL 126 N 0.23 1.10 -0.74 0.00 3.04 -1.53 -1.03 116.25 117.32 2ysz h VAL 126 Ca -0.07 -1.07 0.15 0.00 -1.01 0.00 0.00 66.70 64.70 2ysz h VAL 126 Cb 1.55 1.75 -0.10 0.00 -2.01 0.00 0.00 31.29 32.48 2ysz h VAL 126 CO 0.16 0.25 0.23 0.06 -1.01 0.00 0.00 177.57 177.25 2ysz h GLN 127 N -0.67 0.33 -0.07 4.17 3.07 -1.65 0.77 115.11 121.05 2ysz h GLN 127 Ca -0.01 -0.02 -0.15 0.00 0.09 0.00 0.00 58.65 58.55 2ysz h GLN 127 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.99 2ysz h GLN 127 CO 0.02 0.22 -0.62 0.00 0.09 0.00 0.00 178.83 178.54 2ysz h ALA 128 N 1.58 0.81 0.00 0.06 0.00 -1.57 -2.92 119.26 117.22 2ysz h ALA 128 Ca 0.42 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ysz h ALA 128 Cb 0.68 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ysz h ALA 128 CO -0.47 0.74 -0.00 0.00 0.00 0.00 0.00 179.25 179.52 2ysz h ALA 129 N 1.15 1.07 0.00 0.00 0.00 0.54 -2.38 119.26 119.65 2ysz h ALA 129 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ysz h ALA 129 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ysz h ALA 129 CO 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.29 2ysz h SER 131 N -0.76 -1.02 -5.65 0.00 0.87 -1.52 -3.49 113.55 101.99 2ysz h SER 131 Ca -0.01 0.04 0.26 0.00 -1.23 0.00 0.00 61.79 60.85 2ysz h SER 131 Cb 0.88 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 63.04 2ysz h SER 131 CO 0.01 -0.72 0.76 -0.83 -0.53 0.00 0.00 176.83 175.52 2ysz s GLY 132 N -1.92 -0.05 0.01 5.77 0.00 -0.96 -5.06 107.32 105.13 2ysz s GLY 132 Ca -0.18 -0.08 -0.23 0.00 0.00 0.00 0.00 44.72 44.24 2ysz s GLY 132 CO 0.53 3.85 1.31 -0.56 0.00 0.00 0.00 173.10 178.23 2ysz h PRO 133 N 2.00 0.20 -4.03 2.90 0.13 -1.84 -3.39 132.00 127.97 2ysz h PRO 133 Ca -0.25 -0.11 -0.33 0.00 -0.87 0.00 0.00 66.00 64.45 2ysz h PRO 133 Cb 1.20 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 2ysz h PRO 133 CO 0.33 0.63 -0.75 -1.54 -0.23 0.00 0.00 178.00 176.44 2ysz s SER 134 N -5.93 0.52 0.07 1.44 1.04 -1.26 -5.01 113.70 104.57 2ysz s SER 134 Ca -0.15 -0.07 -0.21 0.00 0.48 0.00 0.00 55.95 56.01 2ysz s SER 134 Cb 0.04 -0.15 -0.11 0.00 0.10 0.00 0.00 66.02 65.90 2ysz s SER 134 CO 0.72 -0.00 1.55 -1.28 0.98 0.00 0.00 173.24 175.21 2ysz h SER 135 N 6.53 0.26 0.00 7.02 0.87 -1.98 -3.49 113.55 122.76 2ysz h SER 135 Ca -0.33 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 2ysz h SER 135 Cb 1.17 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2ysz h SER 135 CO 0.49 0.44 0.00 0.61 -0.53 0.00 0.00 176.83 177.84 2ysz n GLY 136 N -0.48 2.22 3.69 5.77 0.00 -1.26 -5.09 105.19 110.04 2ysz n GLY 136 Ca -0.05 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 2ysz n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ysz s ILE 137 N 0.00 4.65 0.42 -0.61 1.01 -1.26 -5.11 121.20 120.31 2ysz s ILE 137 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 2ysz s ILE 137 Cb 0.00 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 2ysz s ILE 137 CO 0.00 0.55 0.67 -1.83 0.00 0.00 0.00 174.94 174.33 2ysz s GLU 138 N -0.43 3.44 -0.63 2.79 1.03 -1.26 -5.06 118.70 118.59 2ysz s GLU 138 Ca 0.09 -0.12 -0.00 0.00 0.03 0.00 0.00 54.97 54.96 2ysz s GLU 138 Cb -0.12 -2.52 0.16 0.00 -0.80 0.00 0.00 34.13 30.85 2ysz s GLU 138 CO 0.02 -0.07 0.42 0.20 -1.33 0.00 0.00 175.26 174.50 2ysz s GLY 139 N -4.09 2.58 0.21 -3.83 0.00 -1.26 -5.06 107.32 95.87 2ysz s GLY 139 Ca 0.44 -3.37 0.02 0.00 0.00 0.00 0.00 44.72 41.81 2ysz s GLY 139 CO 0.40 1.08 0.02 1.09 0.00 0.00 0.00 173.10 175.69 2ysz s ARG 140 N -0.37 1.26 0.00 2.90 1.04 -1.26 -5.16 118.95 117.37 2ysz s ARG 140 Ca 0.19 -1.64 0.00 0.00 -1.04 0.00 0.00 55.73 53.24 2ysz s ARG 140 Cb -0.20 -0.42 0.00 0.00 -2.04 0.00 0.00 34.95 32.29 2ysz s ARG 140 CO -0.04 -0.14 0.00 0.41 -0.04 0.00 0.00 175.30 175.49 2ysz n GLY 141 N -0.36 3.69 3.60 3.88 0.00 -1.26 -5.18 105.19 109.56 2ysz n GLY 141 Ca -0.05 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 2ysz n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysz s SER 142 N 0.00 -0.50 0.24 1.61 0.15 -1.26 -5.19 113.70 108.76 2ysz s SER 142 Ca 0.00 0.79 -0.08 0.00 0.70 0.00 0.00 55.95 57.36 2ysz s SER 142 Cb 0.00 0.74 -0.01 0.00 -1.71 0.00 0.00 66.02 65.03 2ysz s SER 142 CO 0.00 -0.29 0.37 -0.94 1.20 0.00 0.00 173.24 173.58 2ysz s SER 143 N -0.36 0.10 0.21 5.45 1.04 -1.26 -5.08 113.70 113.80 2ysz s SER 143 Ca -0.01 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.29 2ysz s SER 143 Cb -0.03 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2ysz s SER 143 CO -0.00 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2ysz n GLY 144 N -0.37 -1.39 3.16 7.32 0.00 -1.26 -5.14 105.19 107.51 2ysz n GLY 144 Ca -0.00 0.40 -0.23 0.00 0.00 0.00 0.00 46.02 46.18 2ysz n GLY 144 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysz s SER 145 N -2.00 1.93 0.05 1.61 0.01 -1.26 -5.15 113.70 108.89 2ysz s SER 145 Ca 0.00 -0.36 0.09 0.00 1.31 0.00 0.00 55.95 56.99 2ysz s SER 145 Cb 0.00 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 2ysz s SER 145 CO 0.00 0.16 -0.24 -0.55 0.41 0.00 0.00 173.24 173.02 2ysz s SER 146 N -0.65 3.38 0.00 2.44 0.15 -1.26 -5.02 113.70 112.74 2ysz s SER 146 Ca 0.05 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2ysz s SER 146 Cb -0.07 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 2ysz s SER 146 CO 0.00 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2ysz n GLY 147 N 1.61 -0.89 3.38 9.45 0.00 -1.26 -5.19 105.19 112.29 2ysz n GLY 147 Ca -0.17 0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2ysz n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysz s SER 148 N 0.00 2.00 -0.10 1.61 0.01 -1.26 -5.16 113.70 110.80 2ysz s SER 148 Ca 0.00 -1.66 -0.03 0.00 1.31 0.00 0.00 55.95 55.57 2ysz s SER 148 Cb 0.00 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 2ysz s SER 148 CO 0.00 -0.96 0.01 -0.94 0.41 0.00 0.00 173.24 171.76 2ysz s SER 149 N -3.45 5.32 0.00 2.44 1.04 -1.26 -5.11 113.70 112.68 2ysz s SER 149 Ca 0.33 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2ysz s SER 149 Cb 0.03 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.56 2ysz s SER 149 CO 0.20 0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.37 2ysz n GLY 150 N 2.38 5.75 3.01 7.32 0.00 -1.26 -5.16 105.19 117.22 2ysz n GLY 150 Ca -0.18 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 2ysz n GLY 150 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysz s SER 151 N 0.46 -0.17 -0.50 1.61 0.01 -1.26 -5.12 113.70 108.74 2ysz s SER 151 Ca 0.00 0.36 -0.07 0.00 1.31 0.00 0.00 55.95 57.56 2ysz s SER 151 Cb 0.00 0.31 0.13 0.00 0.21 0.00 0.00 66.02 66.66 2ysz s SER 151 CO 0.00 -0.11 0.34 -0.94 0.41 0.00 0.00 173.24 172.94 2ysz s SER 152 N 0.66 5.55 -0.12 2.44 1.04 -1.26 -4.75 113.70 117.27 2ysz s SER 152 Ca -0.05 -2.14 -0.02 0.00 0.48 0.00 0.00 55.95 54.22 2ysz s SER 152 Cb -0.06 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2ysz s SER 152 CO -0.03 -0.59 0.13 0.61 0.98 0.00 0.00 173.24 174.34 2ysz n GLY 153 N 4.54 -0.67 3.75 7.32 0.00 -1.26 -5.09 105.19 113.79 2ysz n GLY 153 Ca -0.03 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 2ysz n GLY 153 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ysz s ASP 154 N -1.74 4.83 0.29 1.61 -4.77 -1.26 -5.10 116.67 110.54 2ysz s ASP 154 Ca 0.03 -0.68 -0.29 0.00 -3.30 0.00 0.00 52.55 48.30 2ysz s ASP 154 Cb -0.01 -0.82 -0.10 0.00 -1.09 0.00 0.00 42.92 40.91 2ysz s ASP 154 CO 0.16 -0.27 1.16 0.00 0.70 0.00 0.00 175.17 176.91 2ysz s ALA 155 N -2.38 3.43 -0.30 2.11 0.00 -1.26 -5.02 121.76 118.35 2ysz s ALA 155 Ca 0.38 1.00 -0.11 0.00 0.00 0.00 0.00 51.96 53.23 2ysz s ALA 155 Cb -0.04 -3.37 0.18 0.00 0.00 0.00 0.00 23.12 19.89 2ysz s ALA 155 CO 0.23 -0.30 1.00 0.00 0.00 0.00 0.00 175.76 176.69 2ysz s ALA 156 N -1.15 -3.40 0.05 0.00 0.00 -1.26 -5.14 121.76 110.86 2ysz s ALA 156 Ca 0.46 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.55 2ysz s ALA 156 Cb -0.34 -2.53 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 2ysz s ALA 156 CO 0.44 -1.56 1.68 0.54 0.00 0.00 0.00 175.76 176.86 2ysz s VAL 157 N 2.94 3.09 0.46 0.00 0.11 -1.26 -4.95 120.40 120.79 2ysz s VAL 157 Ca 0.06 0.47 -0.25 0.00 -2.93 0.00 0.00 61.98 59.33 2ysz s VAL 157 Cb -0.09 -3.30 -0.08 0.00 -1.53 0.00 0.00 36.38 31.37 2ysz s VAL 157 CO -0.14 -0.01 1.41 0.28 -3.33 0.00 0.00 175.10 173.31 2ysz s THR 158 N 2.93 2.12 -1.74 5.04 -1.32 -1.26 -4.87 115.64 116.54 2ysz s THR 158 Ca 0.75 0.11 0.15 0.00 -1.21 0.00 0.00 61.69 61.49 2ysz s THR 158 Cb -0.39 -3.06 0.36 0.00 -1.51 0.00 0.00 72.50 67.89 2ysz s THR 158 CO 0.33 0.01 1.37 -0.81 -2.21 0.00 0.00 174.62 173.31 2ysz n PRO 159 N -0.27 0.36 -0.08 7.08 -0.04 -1.26 -3.06 135.00 137.74 2ysz n PRO 159 Ca 0.06 0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 2ysz n PRO 159 Cb 0.42 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 2ysz n PRO 159 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2ysz h GLU 160 N 0.00 0.00 -0.34 0.54 3.07 -1.98 -3.13 114.58 112.74 2ysz h GLU 160 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 2ysz h GLU 160 Cb 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 2ysz h GLU 160 CO 0.00 0.93 -0.14 1.05 -1.40 0.00 0.00 179.01 179.45 2ysz h GLU 161 N -1.00 0.61 -0.44 2.33 4.11 -1.93 -1.73 114.58 116.52 2ysz h GLU 161 Ca -0.12 -0.20 -0.08 0.00 0.07 0.00 0.00 59.36 59.04 2ysz h GLU 161 Cb 1.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2ysz h GLU 161 CO -0.07 0.73 -0.03 -0.09 0.07 0.00 0.00 179.01 179.61 2ysz h ARG 162 N 0.55 0.75 -0.01 1.06 2.43 -1.70 -1.85 114.38 115.61 2ysz h ARG 162 Ca 0.09 -0.21 -0.18 0.00 -0.81 0.00 0.00 59.98 58.87 2ysz h ARG 162 Cb 0.57 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2ysz h ARG 162 CO 0.04 0.78 -0.81 1.25 -1.51 0.00 0.00 179.97 179.72 2ysz h HIS 163 N 0.69 0.22 0.00 2.20 2.76 -1.43 -2.77 115.15 116.82 2ysz h HIS 163 Ca 0.13 -0.11 -0.10 0.00 -2.20 0.00 0.00 60.37 58.09 2ysz h HIS 163 Cb 0.48 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 2ysz h HIS 163 CO 0.02 0.89 -0.49 -0.07 -1.30 0.00 0.00 177.93 176.99 2ysz h LEU 164 N 0.09 0.00 0.16 0.26 3.38 -1.02 -3.18 115.31 115.00 2ysz h LEU 164 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2ysz h LEU 164 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 2ysz h LEU 164 CO 0.12 0.49 -0.08 0.28 0.09 0.00 0.00 178.44 179.34 2ysz h SER 165 N 0.00 -0.18 -0.98 -0.43 0.02 -1.29 -3.30 113.55 107.38 2ysz h SER 165 Ca -0.00 -0.13 0.20 0.00 -0.84 0.00 0.00 61.79 61.02 2ysz h SER 165 Cb 0.95 0.05 -0.19 0.00 0.14 0.00 0.00 62.40 63.35 2ysz h SER 165 CO 0.06 0.34 -0.23 2.29 -1.14 0.00 0.00 176.83 178.15 2ysz n LYS 166 N -4.91 -0.09 -0.28 3.45 2.85 -1.05 0.12 118.16 118.25 2ysz n LYS 166 Ca -0.04 1.53 0.08 0.00 -1.05 0.00 0.00 58.31 58.83 2ysz n LYS 166 Cb 0.15 -2.30 0.23 0.00 -0.65 0.00 0.00 35.03 32.47 2ysz n LYS 166 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 2ysz h MET 167 N 0.00 0.45 0.00 -1.58 2.86 -1.67 0.43 114.93 115.42 2ysz h MET 167 Ca 0.48 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 2ysz h MET 167 Cb 0.74 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2ysz h MET 167 CO -1.01 0.30 -0.19 1.96 1.06 0.00 0.00 176.91 179.03 2ysz h GLN 168 N 0.46 0.00 0.00 1.72 4.20 0.82 -3.12 115.11 119.19 2ysz h GLN 168 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 2ysz h GLN 168 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2ysz h GLN 168 CO -0.44 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 178.76 2ysz n GLN 169 N -2.33 0.00 -0.00 1.46 6.02 0.13 -4.85 117.38 117.81 2ysz n GLN 169 Ca 0.05 0.35 -0.00 0.00 -0.01 0.00 0.00 57.00 57.39 2ysz n GLN 169 Cb 0.45 -0.85 -0.00 0.00 1.02 0.00 0.00 30.24 30.86 2ysz n GLN 169 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2ysz n ASN 170 N -1.57 4.84 0.00 1.08 0.23 0.02 -5.02 115.26 114.84 2ysz n ASN 170 Ca 0.00 -0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2ysz n ASN 170 Cb 0.00 0.44 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 2ysz n ASN 170 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ysz n GLY 171 N 3.05 0.50 2.90 4.83 0.00 -0.49 -4.85 105.19 111.13 2ysz n GLY 171 Ca -0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 2ysz n GLY 171 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ysz s TYR 172 N 0.00 -0.78 -0.53 1.61 6.14 -0.82 -4.63 117.35 118.34 2ysz s TYR 172 Ca 0.00 0.73 -0.22 0.00 0.64 0.00 0.00 57.07 58.23 2ysz s TYR 172 Cb 0.00 -0.03 0.05 0.00 0.42 0.00 0.00 41.96 42.40 2ysz s TYR 172 CO 0.00 -0.73 0.79 -1.21 0.64 0.00 0.00 175.55 175.04 2ysz s GLU 173 N 2.52 3.22 -0.17 4.97 2.02 -1.26 -2.69 118.70 127.32 2ysz s GLU 173 Ca 0.12 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.24 2ysz s GLU 173 Cb -0.15 -4.08 -0.05 0.00 0.10 0.00 0.00 34.13 29.95 2ysz s GLU 173 CO -0.16 -1.37 1.98 1.21 0.02 0.00 0.00 175.26 176.94 2ysz s ASN 174 N 2.79 5.95 0.17 -0.19 2.47 -1.18 -4.87 114.94 120.08 2ysz s ASN 174 Ca 0.23 1.95 -0.08 0.00 0.42 0.00 0.00 52.86 55.38 2ysz s ASN 174 Cb -0.16 -2.52 0.04 0.00 -1.45 0.00 0.00 41.25 37.16 2ysz s ASN 174 CO 0.15 -1.56 1.51 1.55 -3.72 0.00 0.00 177.10 175.04 2ysz h PRO 175 N 12.78 0.81 -0.93 0.43 0.13 -1.90 -3.24 132.00 140.08 2ysz h PRO 175 Ca -0.41 -0.43 0.27 0.00 -0.87 0.00 0.00 66.00 64.56 2ysz h PRO 175 Cb 1.21 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 2ysz h PRO 175 CO 0.97 1.06 0.05 -2.37 -0.23 0.00 0.00 178.00 177.49 2ysz n THR 176 N -4.04 -0.39 -3.11 1.56 5.66 -1.26 -1.29 114.28 111.41 2ysz n THR 176 Ca -0.02 2.03 -0.38 0.00 -3.05 0.00 0.00 64.05 62.63 2ysz n THR 176 Cb 0.54 -2.99 -0.02 0.00 -1.55 0.00 0.00 70.33 66.31 2ysz n THR 176 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ysz n TYR 177 N -5.35 2.66 -3.35 1.09 9.36 -1.22 -4.92 117.16 115.42 2ysz n TYR 177 Ca 0.23 -3.03 -0.39 0.00 3.32 0.00 0.00 57.90 58.03 2ysz n TYR 177 Cb 0.75 -1.04 -0.03 0.00 -0.63 0.00 0.00 39.34 38.39 2ysz n TYR 177 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2ysz n LYS 178 N 1.12 3.41 -3.95 2.98 0.00 -0.41 -4.87 118.16 116.45 2ysz n LYS 178 Ca 0.28 -4.53 -0.31 0.00 0.00 0.00 0.00 58.31 53.75 2ysz n LYS 178 Cb 0.35 -2.46 -0.15 0.00 0.00 0.00 0.00 35.03 32.77 2ysz n LYS 178 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 2ysz s PHE 179 N -1.94 2.77 0.54 5.64 2.19 -1.26 -5.12 117.98 120.80 2ysz s PHE 179 Ca 0.31 -2.15 0.05 0.00 0.33 0.00 0.00 56.93 55.47 2ysz s PHE 179 Cb -0.01 -1.98 0.03 0.00 -1.31 0.00 0.00 43.02 39.75 2ysz s PHE 179 CO -0.03 -0.85 0.34 -0.59 1.83 0.00 0.00 175.22 175.92 2ysz s PHE 180 N 1.26 1.66 -0.53 10.12 -0.12 -1.26 -5.09 117.98 124.02 2ysz s PHE 180 Ca -0.00 -0.86 0.07 0.00 -0.05 0.00 0.00 56.93 56.09 2ysz s PHE 180 Cb -0.19 -1.86 0.26 0.00 -0.63 0.00 0.00 43.02 40.60 2ysz s PHE 180 CO -0.09 -0.36 0.67 0.39 -0.05 0.00 0.00 175.22 175.78 2ysz n GLU 181 N -1.68 1.81 -0.04 1.99 -0.58 -1.26 -4.88 120.64 115.99 2ysz n GLU 181 Ca -0.05 -4.07 -0.08 0.00 -0.42 0.00 0.00 57.16 52.55 2ysz n GLU 181 Cb 0.65 -1.83 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 2ysz n GLU 181 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2ysz n GLN 182 N 0.97 0.33 -2.67 3.49 -0.06 -1.26 -5.02 117.38 113.16 2ysz n GLN 182 Ca 0.26 0.13 -0.35 0.00 -2.00 0.00 0.00 57.00 55.05 2ysz n GLN 182 Cb 0.47 -1.07 -0.05 0.00 -4.06 0.00 0.00 30.24 25.53 2ysz n GLN 182 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 2ysz s MET 183 N -2.51 4.12 -0.10 3.69 -1.94 -1.26 -5.02 119.30 116.28 2ysz s MET 183 Ca -0.19 1.31 -0.24 0.00 -1.71 0.00 0.00 55.69 54.86 2ysz s MET 183 Cb 0.04 -2.30 -0.03 0.00 2.01 0.00 0.00 34.83 34.54 2ysz s MET 183 CO 0.27 -0.15 0.75 -0.65 -0.01 0.00 0.00 175.02 175.23 2ysz s GLN 184 N -2.92 4.40 0.00 2.03 -1.52 -1.26 -5.17 119.66 115.22 2ysz s GLN 184 Ca 0.61 0.94 0.00 0.00 -1.95 0.00 0.00 55.36 54.97 2ysz s GLN 184 Cb -0.15 -3.49 0.00 0.00 -0.22 0.00 0.00 33.01 29.15 2ysz s GLN 184 CO 0.20 -0.07 0.38 -1.71 -0.25 0.00 0.00 175.29 173.84