#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oyp s ARG 2 N 0.00 3.90 0.20 2.12 0.52 -1.19 -4.98 118.95 119.51 1oyp s ARG 2 Ca 0.00 0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 55.51 1oyp s ARG 2 Cb 0.00 -2.78 0.18 0.00 0.52 0.00 0.00 34.95 32.87 1oyp s ARG 2 CO 0.00 0.39 1.81 0.45 0.02 0.00 0.00 175.30 177.97 1oyp h HIS 3 N 3.05 0.64 -0.03 -0.53 3.86 -2.01 0.40 115.15 120.54 1oyp h HIS 3 Ca -0.48 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.76 1oyp h HIS 3 Cb 1.18 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.45 1oyp h HIS 3 CO 0.63 0.33 0.06 0.22 0.86 0.00 0.00 177.93 180.04 1oyp h ASP 4 N 0.66 0.00 0.00 2.45 3.58 -2.01 -3.45 116.42 117.66 1oyp h ASP 4 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1oyp h ASP 4 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1oyp h ASP 4 CO -0.14 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.83 1oyp n GLY 5 N -1.23 0.51 3.62 -0.78 0.00 0.14 -5.08 105.19 102.36 1oyp n GLY 5 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1oyp n GLY 5 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1oyp n ARG 6 N -2.00 0.65 -2.08 1.61 1.85 -1.26 -4.78 116.66 110.65 1oyp n ARG 6 Ca 0.00 -2.97 -0.28 0.00 -1.00 0.00 0.00 57.85 53.61 1oyp n ARG 6 Cb 0.00 -0.12 0.13 0.00 -1.05 0.00 0.00 32.46 31.42 1oyp n ARG 6 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1oyp s GLN 7 N -4.39 1.38 0.07 2.89 -0.21 -1.26 -3.19 119.66 114.95 1oyp s GLN 7 Ca 0.52 -0.38 -0.24 0.00 0.02 0.00 0.00 55.36 55.27 1oyp s GLN 7 Cb -0.04 -2.01 -0.16 0.00 1.00 0.00 0.00 33.01 31.80 1oyp s GLN 7 CO 0.33 -1.87 1.65 0.45 -2.12 0.00 0.00 175.29 173.73 1oyp h HIS 8 N -1.14 -0.07 -0.89 0.91 3.86 -1.97 -3.08 115.15 112.77 1oyp h HIS 8 Ca -0.43 -0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.19 1oyp h HIS 8 Cb 1.27 0.02 -0.26 0.00 1.06 0.00 0.00 27.41 29.51 1oyp h HIS 8 CO -0.41 0.03 0.76 -0.40 0.86 0.00 0.00 177.93 178.76 1oyp n ASP 9 N -5.09 6.97 -4.39 2.45 3.85 -1.26 -1.85 116.55 117.23 1oyp n ASP 9 Ca -0.08 -3.61 -0.32 0.00 -0.71 0.00 0.00 54.79 50.06 1oyp n ASP 9 Cb 0.09 -0.97 -0.14 0.00 -1.35 0.00 0.00 41.12 38.75 1oyp n ASP 9 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1oyp s GLU 10 N -3.35 2.80 0.45 0.11 2.12 -1.17 -4.96 118.70 114.70 1oyp s GLU 10 Ca 0.57 -0.74 -0.06 0.00 0.36 0.00 0.00 54.97 55.10 1oyp s GLU 10 Cb 0.45 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 32.39 1oyp s GLU 10 CO 0.00 0.43 0.76 -0.51 -0.54 0.00 0.00 175.26 175.41 1oyp s LEU 11 N -0.25 3.70 0.60 2.70 1.43 -1.26 -4.69 118.68 120.92 1oyp s LEU 11 Ca 0.01 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 53.91 1oyp s LEU 11 Cb -0.13 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 1oyp s LEU 11 CO 0.03 -0.51 1.03 -0.13 0.23 0.00 0.00 176.35 177.00 1oyp s ARG 12 N -4.48 3.47 -0.09 1.70 0.52 -1.26 -4.92 118.95 113.88 1oyp s ARG 12 Ca 0.48 0.98 -0.35 0.00 -0.52 0.00 0.00 55.73 56.32 1oyp s ARG 12 Cb -0.10 -2.06 -0.13 0.00 0.52 0.00 0.00 34.95 33.18 1oyp s ARG 12 CO 0.41 -0.67 1.80 -2.30 0.02 0.00 0.00 175.30 174.55 1oyp n PRO 13 N -2.30 1.92 -4.73 3.54 -0.02 -1.26 -4.60 135.00 127.54 1oyp n PRO 13 Ca 0.07 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 1oyp n PRO 13 Cb 0.54 -2.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 1oyp n PRO 13 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1oyp s ILE 14 N 3.46 3.26 0.02 4.25 1.01 -1.26 -2.01 121.20 129.94 1oyp s ILE 14 Ca 0.92 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.98 1oyp s ILE 14 Cb -0.78 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 1oyp s ILE 14 CO 0.53 0.55 -0.06 0.42 0.00 0.00 0.00 174.94 176.37 1oyp s THR 15 N -0.07 0.42 -0.25 2.92 -4.23 -0.67 -5.00 115.64 108.76 1oyp s THR 15 Ca -0.01 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 1oyp s THR 15 Cb -0.14 -0.45 0.06 0.00 1.34 0.00 0.00 72.50 73.31 1oyp s THR 15 CO 0.03 -0.22 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.44 1oyp s PHE 16 N -0.93 2.96 -0.71 3.99 0.08 -1.26 -1.58 117.98 120.53 1oyp s PHE 16 Ca -0.07 -2.12 -0.18 0.00 0.12 0.00 0.00 56.93 54.69 1oyp s PHE 16 Cb -0.07 -1.81 0.14 0.00 -0.57 0.00 0.00 43.02 40.71 1oyp s PHE 16 CO 0.00 -0.84 0.79 -0.51 -0.10 0.00 0.00 175.22 174.56 1oyp s ASP 17 N 1.21 6.40 0.41 1.36 1.01 -0.71 -4.95 116.67 121.40 1oyp s ASP 17 Ca -0.08 -1.87 -0.25 0.00 0.71 0.00 0.00 52.55 51.07 1oyp s ASP 17 Cb -0.19 -2.29 -0.08 0.00 1.01 0.00 0.00 42.92 41.36 1oyp s ASP 17 CO -0.06 -0.96 1.14 -0.76 0.21 0.00 0.00 175.17 174.74 1oyp s LEU 18 N 2.03 4.16 -1.18 1.23 1.43 -1.26 -1.75 118.68 123.34 1oyp s LEU 18 Ca 0.16 2.28 -0.02 0.00 -1.03 0.00 0.00 54.13 55.53 1oyp s LEU 18 Cb -0.18 -4.07 -0.01 0.00 0.03 0.00 0.00 46.19 41.96 1oyp s LEU 18 CO -0.01 -0.66 0.95 0.47 0.23 0.00 0.00 176.35 177.33 1oyp n ASP 19 N -0.01 -2.93 0.02 2.29 8.00 0.13 -4.92 116.55 119.13 1oyp n ASP 19 Ca 0.05 -0.66 -0.11 0.00 0.71 0.00 0.00 54.79 54.77 1oyp n ASP 19 Cb 0.47 -5.01 -0.06 0.00 -0.02 0.00 0.00 41.12 36.50 1oyp n ASP 19 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1oyp h PHE 20 N -1.73 -0.04 -4.12 1.24 3.57 -1.61 -3.42 116.94 110.83 1oyp h PHE 20 Ca -0.60 0.01 -0.52 0.00 3.53 0.00 0.00 57.97 60.39 1oyp h PHE 20 Cb 1.34 0.02 -0.26 0.00 2.79 0.00 0.00 35.95 39.84 1oyp h PHE 20 CO 0.41 -0.03 -0.82 0.96 -2.23 0.00 0.00 178.31 176.61 1oyp s ILE 21 N -6.19 1.40 0.18 1.41 -4.36 -1.26 -5.08 121.20 107.30 1oyp s ILE 21 Ca -0.13 -1.07 -0.07 0.00 -0.26 0.00 0.00 60.65 59.12 1oyp s ILE 21 Cb 0.07 -1.23 0.01 0.00 1.25 0.00 0.00 42.46 42.56 1oyp s ILE 21 CO 0.67 0.13 1.57 0.28 0.24 0.00 0.00 174.94 177.83 1oyp h SER 22 N 4.96 0.89 -0.03 4.36 0.02 -2.00 -3.38 113.55 118.38 1oyp h SER 22 Ca -0.40 -0.35 0.03 0.00 -0.84 0.00 0.00 61.79 60.23 1oyp h SER 22 Cb 1.17 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.40 1oyp h SER 22 CO 0.44 1.10 -0.49 -0.74 -1.14 0.00 0.00 176.83 176.01 1oyp h HIS 23 N 0.74 -1.41 -4.04 3.45 6.17 -1.99 -3.44 115.15 114.63 1oyp h HIS 23 Ca 0.09 0.05 -0.56 0.00 0.71 0.00 0.00 60.37 60.66 1oyp h HIS 23 Cb 0.81 0.62 0.16 0.00 2.52 0.00 0.00 27.41 31.52 1oyp h HIS 23 CO 0.05 -0.54 0.50 -2.30 0.71 0.00 0.00 177.93 176.35 1oyp n PRO 24 N -5.46 1.22 0.17 5.26 -0.02 -1.26 -4.89 135.00 130.02 1oyp n PRO 24 Ca -0.06 0.47 0.05 0.00 -2.02 0.00 0.00 63.50 61.94 1oyp n PRO 24 Cb 0.39 -2.51 0.50 0.00 -0.02 0.00 0.00 33.50 31.85 1oyp n PRO 24 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1oyp h GLU 25 N 0.72 0.15 -3.03 -0.52 3.07 -1.69 -3.40 114.58 109.88 1oyp h GLU 25 Ca -0.51 -0.02 -0.29 0.00 -0.50 0.00 0.00 59.36 58.04 1oyp h GLU 25 Cb 1.33 -0.03 -0.36 0.00 -0.84 0.00 0.00 28.75 28.86 1oyp h GLU 25 CO 0.54 0.21 -0.63 0.20 -1.40 0.00 0.00 179.01 177.93 1oyp s GLY 26 N -4.04 0.04 -0.09 -3.84 0.00 -0.74 -4.05 107.32 94.60 1oyp s GLY 26 Ca -0.05 0.56 0.02 0.00 0.00 0.00 0.00 44.72 45.24 1oyp s GLY 26 CO 0.70 1.74 -0.13 -0.45 0.00 0.00 0.00 173.10 174.96 1oyp s SER 27 N 2.31 2.18 -0.02 1.64 0.15 -1.26 0.47 113.70 119.16 1oyp s SER 27 Ca 0.03 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.32 1oyp s SER 27 Cb -0.12 -0.97 0.02 0.00 -1.71 0.00 0.00 66.02 63.24 1oyp s SER 27 CO -0.06 0.01 -0.01 -0.69 1.20 0.00 0.00 173.24 173.68 1oyp s VAL 28 N 0.96 0.23 -0.44 4.45 1.01 0.11 0.19 120.40 126.91 1oyp s VAL 28 Ca -0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1oyp s VAL 28 Cb -0.15 -0.27 0.11 0.00 0.00 0.00 0.00 36.38 36.07 1oyp s VAL 28 CO -0.00 0.12 0.28 -0.22 0.00 0.00 0.00 175.10 175.28 1oyp s LEU 29 N 0.60 5.46 0.00 3.92 2.96 -0.72 0.65 118.68 131.56 1oyp s LEU 29 Ca -0.06 -1.91 -0.20 0.00 -0.22 0.00 0.00 54.13 51.75 1oyp s LEU 29 Cb -0.09 -1.94 -0.06 0.00 0.50 0.00 0.00 46.19 44.60 1oyp s LEU 29 CO -0.01 -0.62 0.56 -0.51 -1.32 0.00 0.00 176.35 174.45 1oyp s ILE 30 N 1.29 4.91 -0.08 6.68 2.07 -0.75 -1.74 121.20 133.59 1oyp s ILE 30 Ca 0.06 1.17 0.02 0.00 -1.41 0.00 0.00 60.65 60.50 1oyp s ILE 30 Cb -0.25 -3.89 0.01 0.00 0.13 0.00 0.00 42.46 38.46 1oyp s ILE 30 CO -0.02 0.45 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.43 1oyp s THR 31 N -0.37 1.34 -0.33 4.00 2.01 -0.61 -1.83 115.64 119.86 1oyp s THR 31 Ca 0.29 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 1oyp s THR 31 Cb -0.18 -1.21 0.11 0.00 0.01 0.00 0.00 72.50 71.22 1oyp s THR 31 CO 0.16 0.40 0.14 0.00 -0.69 0.00 0.00 174.62 174.63 1oyp s ALA 32 N 0.69 1.32 0.00 7.40 0.00 -0.24 -1.67 121.76 129.27 1oyp s ALA 32 Ca -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1oyp s ALA 32 Cb -0.16 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1oyp s ALA 32 CO 0.03 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 174.44 1oyp n GLY 33 N 4.70 2.85 0.71 0.00 0.00 -0.85 -1.52 105.19 111.08 1oyp n GLY 33 Ca -0.00 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1oyp n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oyp n ASN 34 N 9.30 2.47 -4.70 1.61 3.02 -1.26 -4.93 115.26 120.77 1oyp n ASN 34 Ca 0.00 -1.74 -0.42 0.00 -0.03 0.00 0.00 54.58 52.39 1oyp n ASN 34 Cb 0.00 0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 1oyp n ASN 34 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1oyp s THR 35 N -2.13 4.84 -0.10 3.41 2.01 -0.58 -4.59 115.64 118.51 1oyp s THR 35 Ca 0.22 2.05 -0.01 0.00 0.31 0.00 0.00 61.69 64.27 1oyp s THR 35 Cb 0.18 -4.32 0.03 0.00 0.01 0.00 0.00 72.50 68.40 1oyp s THR 35 CO 0.41 0.11 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.89 1oyp s LYS 36 N 1.31 0.98 -0.09 4.92 1.02 0.32 -1.08 119.74 127.11 1oyp s LYS 36 Ca 0.51 -0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.42 1oyp s LYS 36 Cb -0.20 -1.33 0.02 0.00 -0.52 0.00 0.00 37.83 35.80 1oyp s LYS 36 CO 0.25 -0.32 -0.10 0.08 -0.92 0.00 0.00 175.35 174.33 1oyp s VAL 37 N 1.85 1.13 -0.23 3.17 1.01 -0.76 -1.07 120.40 125.52 1oyp s VAL 37 Ca 0.04 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 1oyp s VAL 37 Cb -0.13 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1oyp s VAL 37 CO -0.07 0.37 0.68 -0.63 0.00 0.00 0.00 175.10 175.46 1oyp s ILE 38 N 1.20 4.96 -0.23 2.22 1.01 0.08 -1.80 121.20 128.65 1oyp s ILE 38 Ca -0.04 1.27 -0.00 0.00 0.00 0.00 0.00 60.65 61.87 1oyp s ILE 38 Cb -0.14 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.37 1oyp s ILE 38 CO -0.03 0.04 -0.10 0.00 0.00 0.00 0.00 174.94 174.85 1oyp s ASN 40 N 1.29 3.91 -0.05 0.00 0.02 0.06 0.08 114.94 120.26 1oyp s ASN 40 Ca 0.00 -0.48 0.01 0.00 -1.02 0.00 0.00 52.86 51.37 1oyp s ASN 40 Cb -0.16 -0.61 0.02 0.00 0.02 0.00 0.00 41.25 40.52 1oyp s ASN 40 CO -0.07 0.21 -0.05 0.00 0.02 0.00 0.00 177.10 177.21 1oyp s ALA 41 N -1.06 0.76 0.01 0.60 0.00 0.18 -0.38 121.76 121.87 1oyp s ALA 41 Ca 0.17 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1oyp s ALA 41 Cb -0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1oyp s ALA 41 CO 0.08 -0.04 -0.15 -1.12 0.00 0.00 0.00 175.76 174.54 1oyp s SER 42 N 0.97 1.72 -0.12 0.00 0.01 -0.15 -1.79 113.70 114.33 1oyp s SER 42 Ca -0.10 -0.36 -0.05 0.00 1.31 0.00 0.00 55.95 56.75 1oyp s SER 42 Cb -0.14 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 1oyp s SER 42 CO -0.00 0.12 0.07 0.68 0.41 0.00 0.00 173.24 174.52 1oyp s VAL 43 N -0.58 4.92 -0.07 3.43 -7.23 -1.26 0.59 120.40 120.20 1oyp s VAL 43 Ca 0.04 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 1oyp s VAL 43 Cb -0.07 -3.14 0.02 0.00 0.56 0.00 0.00 36.38 33.76 1oyp s VAL 43 CO 0.00 0.58 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.61 1oyp s GLU 44 N -0.66 1.18 -1.26 4.82 2.12 -0.53 -4.97 118.70 119.40 1oyp s GLU 44 Ca 0.12 -0.18 -0.19 0.00 0.36 0.00 0.00 54.97 55.07 1oyp s GLU 44 Cb -0.12 -1.20 0.01 0.00 0.26 0.00 0.00 34.13 33.08 1oyp s GLU 44 CO 0.02 -0.15 1.83 -0.25 -0.54 0.00 0.00 175.26 176.17 1oyp n ASP 45 N 4.44 4.23 -3.66 -1.70 10.43 -1.26 -1.33 116.55 127.69 1oyp n ASP 45 Ca -0.18 -2.84 -0.00 0.00 2.57 0.00 0.00 54.79 54.34 1oyp n ASP 45 Cb 0.51 -1.73 -0.01 0.00 1.84 0.00 0.00 41.12 41.73 1oyp n ASP 45 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1oyp s ARG 46 N 4.95 0.67 -0.16 -1.24 6.06 -1.26 -5.02 118.95 122.95 1oyp s ARG 46 Ca 0.59 -0.37 -0.16 0.00 -2.50 0.00 0.00 55.73 53.29 1oyp s ARG 46 Cb 0.03 0.23 0.04 0.00 0.06 0.00 0.00 34.95 35.32 1oyp s ARG 46 CO 0.09 -0.31 0.45 0.08 -2.50 0.00 0.00 175.30 173.11 1oyp s VAL 47 N -2.73 0.00 1.28 7.11 1.01 -1.26 -3.18 120.40 122.63 1oyp s VAL 47 Ca 0.13 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 1oyp s VAL 47 Cb 0.03 -0.63 0.31 0.00 0.00 0.00 0.00 36.38 36.08 1oyp s VAL 47 CO -0.02 -0.01 0.83 -0.81 0.00 0.00 0.00 175.10 175.10 1oyp n PRO 48 N 2.75 -3.26 -0.26 2.72 -0.04 -1.26 -4.62 135.00 131.03 1oyp n PRO 48 Ca -0.14 -0.94 0.13 0.00 -0.04 0.00 0.00 63.50 62.51 1oyp n PRO 48 Cb 0.57 -2.00 0.41 0.00 -0.04 0.00 0.00 33.50 32.43 1oyp n PRO 48 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1oyp h PRO 49 N -2.98 0.61 -0.88 0.54 0.11 -2.02 -2.73 132.00 124.63 1oyp h PRO 49 Ca -0.54 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.68 1oyp h PRO 49 Cb 1.32 -0.14 -0.15 0.00 0.11 0.00 0.00 31.00 32.14 1oyp h PRO 49 CO 0.39 0.40 -0.33 1.19 -0.21 0.00 0.00 178.00 179.45 1oyp n PHE 50 N -4.56 0.07 0.00 0.65 3.01 -1.26 -4.57 117.46 110.80 1oyp n PHE 50 Ca 0.18 1.09 0.00 0.00 1.01 0.00 0.00 57.45 59.73 1oyp n PHE 50 Cb 0.52 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 39.13 1oyp n PHE 50 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1oyp n LEU 51 N -5.32 0.00 -2.19 4.37 4.32 -1.03 -5.04 117.00 112.11 1oyp n LEU 51 Ca 0.10 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.08 1oyp n LEU 51 Cb 0.37 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.16 1oyp n LEU 51 CO -0.12 0.00 -0.32 -1.14 -1.22 0.00 0.00 177.39 174.59 1oyp n ARG 52 N 0.00 -2.26 0.00 3.23 0.63 -1.25 -4.63 116.66 112.38 1oyp n ARG 52 Ca 0.00 1.97 0.00 0.00 -0.92 0.00 0.00 57.85 58.90 1oyp n ARG 52 Cb 0.00 -3.53 0.00 0.00 0.45 0.00 0.00 32.46 29.38 1oyp n ARG 52 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1oyp n GLY 53 N 0.58 0.69 0.13 5.14 0.00 -1.26 -4.96 105.19 105.52 1oyp n GLY 53 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.98 1oyp n GLY 53 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1oyp h GLY 54 N 0.00 0.00 0.00 -0.02 0.00 -1.96 -3.48 103.07 97.61 1oyp h GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1oyp h GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1oyp n GLY 55 N 1.25 3.12 3.84 4.60 0.00 -1.26 -5.03 105.19 111.71 1oyp n GLY 55 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1oyp n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oyp s LYS 56 N -0.38 3.65 0.00 1.61 -2.85 -1.26 -3.18 119.74 117.33 1oyp s LYS 56 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 1oyp s LYS 56 Cb 0.00 -3.25 0.00 0.00 -2.06 0.00 0.00 37.83 32.52 1oyp s LYS 56 CO 0.00 0.66 0.00 0.41 0.10 0.00 0.00 175.35 176.52 1oyp n GLY 57 N 2.32 -2.51 3.29 0.59 0.00 0.14 -4.65 105.19 104.37 1oyp n GLY 57 Ca -0.18 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 1oyp n GLY 57 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1oyp s TRP 58 N -0.75 -0.01 -0.09 1.61 -0.11 0.60 -4.85 118.94 115.35 1oyp s TRP 58 Ca 0.00 -0.36 -0.03 0.00 1.22 0.00 0.00 56.10 56.93 1oyp s TRP 58 Cb 0.00 0.12 0.04 0.00 -1.50 0.00 0.00 33.47 32.13 1oyp s TRP 58 CO 0.00 -0.66 0.09 0.42 -4.62 0.00 0.00 176.95 172.18 1oyp s ILE 59 N -3.85 -0.13 0.05 5.86 1.01 -1.26 -1.32 121.20 121.56 1oyp s ILE 59 Ca 0.05 0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.01 1oyp s ILE 59 Cb 0.03 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 1oyp s ILE 59 CO -0.10 0.04 -0.18 0.28 0.00 0.00 0.00 174.94 174.97 1oyp s THR 60 N 2.19 1.48 0.30 2.92 -1.32 -1.10 -4.78 115.64 115.33 1oyp s THR 60 Ca 0.04 -1.18 0.09 0.00 -1.21 0.00 0.00 61.69 59.43 1oyp s THR 60 Cb -0.13 -1.31 -0.06 0.00 -1.51 0.00 0.00 72.50 69.49 1oyp s THR 60 CO -0.05 0.10 -0.11 0.00 -2.21 0.00 0.00 174.62 172.35 1oyp s ALA 61 N -0.87 2.65 -0.01 11.08 0.00 -1.26 -0.68 121.76 132.67 1oyp s ALA 61 Ca 0.05 -1.96 0.02 0.00 0.00 0.00 0.00 51.96 50.08 1oyp s ALA 61 Cb -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 1oyp s ALA 61 CO 0.02 0.07 -0.08 -1.21 0.00 0.00 0.00 175.76 174.56 1oyp s GLU 62 N -3.63 0.71 0.01 0.00 2.02 0.12 -4.87 118.70 113.05 1oyp s GLU 62 Ca 0.30 -0.28 0.03 0.00 0.02 0.00 0.00 54.97 55.04 1oyp s GLU 62 Cb 0.01 -0.68 -0.01 0.00 0.10 0.00 0.00 34.13 33.55 1oyp s GLU 62 CO 0.14 0.15 -0.09 -0.47 0.02 0.00 0.00 175.26 175.01 1oyp s TYR 63 N -0.08 0.82 -0.02 1.61 6.14 -1.26 -0.67 117.35 123.89 1oyp s TYR 63 Ca 0.01 -0.25 -0.16 0.00 0.64 0.00 0.00 57.07 57.32 1oyp s TYR 63 Cb -0.04 -0.51 0.03 0.00 0.42 0.00 0.00 41.96 41.85 1oyp s TYR 63 CO -0.00 -0.01 0.34 -1.54 0.64 0.00 0.00 175.55 174.97 1oyp s SER 64 N -0.64 -0.23 0.27 4.32 1.04 -0.87 -4.99 113.70 112.60 1oyp s SER 64 Ca 0.01 0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.61 1oyp s SER 64 Cb -0.05 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 1oyp s SER 64 CO 0.00 -0.45 0.09 -0.32 0.98 0.00 0.00 173.24 173.54 1oyp s MET 65 N -1.26 1.46 0.00 4.02 0.00 -1.26 -1.82 119.30 120.44 1oyp s MET 65 Ca -0.13 -1.80 0.00 0.00 0.00 0.00 0.00 55.69 53.77 1oyp s MET 65 Cb -0.05 -0.40 0.00 0.00 0.00 0.00 0.00 34.83 34.38 1oyp s MET 65 CO 0.05 -0.27 0.00 1.28 0.00 0.00 0.00 175.02 176.08 1oyp n LEU 66 N -0.51 0.00 0.00 4.11 4.77 -1.25 -4.97 117.00 119.15 1oyp n LEU 66 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1oyp n LEU 66 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1oyp n LEU 66 CO 0.39 0.00 -0.00 -1.54 -1.33 0.00 0.00 177.39 174.91 1oyp n SER 84 N -0.31 0.00 0.10 -1.43 3.41 -1.26 -5.20 113.62 108.93 1oyp n SER 84 Ca 0.00 -0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1oyp n SER 84 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1oyp n SER 84 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1oyp h GLY 85 N 0.00 -0.29 1.83 5.00 0.00 -2.05 -2.62 103.07 104.94 1oyp h GLY 85 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1oyp h GLY 85 CO 0.00 -0.11 -0.16 0.07 0.00 0.00 0.00 176.54 176.35 1oyp h ARG 86 N -0.67 0.00 -0.61 4.80 0.11 -2.05 -3.21 114.38 112.75 1oyp h ARG 86 Ca -0.03 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.01 1oyp h ARG 86 Cb 0.47 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.53 1oyp h ARG 86 CO 0.05 0.00 0.24 1.15 0.10 0.00 0.00 179.97 181.51 1oyp h THR 87 N 0.00 1.23 -0.48 0.08 2.02 -1.94 0.33 112.91 114.15 1oyp h THR 87 Ca 0.00 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 1oyp h THR 87 Cb 0.91 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1oyp h THR 87 CO 0.00 0.29 0.07 -0.03 0.37 0.00 0.00 175.52 176.22 1oyp h MET 88 N 0.85 0.80 0.45 6.66 1.85 -1.48 -1.09 114.93 122.98 1oyp h MET 88 Ca 0.20 -0.22 -0.02 0.00 -0.61 0.00 0.00 59.70 59.06 1oyp h MET 88 Cb 0.21 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.15 1oyp h MET 88 CO -0.02 0.81 -0.26 1.49 -0.40 0.00 0.00 176.91 178.53 1oyp h GLU 89 N 0.67 -0.63 -0.91 0.39 4.81 -1.47 -2.17 114.58 115.26 1oyp h GLU 89 Ca 0.14 0.04 0.24 0.00 -0.13 0.00 0.00 59.36 59.66 1oyp h GLU 89 Cb 0.40 0.14 -0.13 0.00 0.63 0.00 0.00 28.75 29.79 1oyp h GLU 89 CO 0.01 -0.42 0.39 0.82 -0.73 0.00 0.00 179.01 179.07 1oyp h ILE 90 N -0.66 0.40 -0.82 2.32 2.04 -0.97 0.19 117.51 120.02 1oyp h ILE 90 Ca -0.06 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 65.78 1oyp h ILE 90 Cb 0.52 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.56 1oyp h ILE 90 CO 0.07 0.06 0.47 -0.61 0.00 0.00 0.00 178.15 178.14 1oyp h GLN 91 N 0.34 0.77 -0.01 2.37 4.15 -0.92 -0.44 115.11 121.37 1oyp h GLN 91 Ca 0.59 -0.05 -0.18 0.00 0.77 0.00 0.00 58.65 59.79 1oyp h GLN 91 Cb 1.19 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1oyp h GLN 91 CO -0.58 0.51 -0.79 0.00 -1.93 0.00 0.00 178.83 176.04 1oyp h ARG 92 N 0.79 0.17 -0.35 1.69 3.08 -0.05 -3.06 114.38 116.66 1oyp h ARG 92 Ca 0.39 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.29 1oyp h ARG 92 Cb 0.36 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1oyp h ARG 92 CO -0.24 0.87 0.22 1.25 -1.07 0.00 0.00 179.97 181.00 1oyp h LEU 93 N 0.10 0.37 -0.33 3.04 6.46 0.38 0.13 115.31 125.46 1oyp h LEU 93 Ca -0.03 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 1oyp h LEU 93 Cb 1.38 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 1oyp h LEU 93 CO 0.12 0.27 0.06 0.40 -0.62 0.00 0.00 178.44 178.67 1oyp h ILE 94 N 0.45 1.23 -0.29 4.05 2.04 -1.19 -1.32 117.51 122.49 1oyp h ILE 94 Ca 0.13 -0.79 -0.11 0.00 1.00 0.00 0.00 64.86 65.09 1oyp h ILE 94 Cb -0.03 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1oyp h ILE 94 CO -0.04 0.26 -0.27 1.23 0.00 0.00 0.00 178.15 179.33 1oyp h GLY 95 N 0.37 0.62 0.84 5.37 0.00 -1.42 -2.22 103.07 106.63 1oyp h GLY 95 Ca 0.10 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1oyp h GLY 95 CO 0.00 0.48 0.04 -0.09 0.00 0.00 0.00 176.54 176.97 1oyp h ARG 96 N 0.50 0.28 -0.43 4.80 2.43 -0.61 -2.41 114.38 118.93 1oyp h ARG 96 Ca 0.07 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1oyp h ARG 96 Cb 0.72 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1oyp h ARG 96 CO 0.06 0.43 0.20 0.00 -1.51 0.00 0.00 179.97 179.15 1oyp h ALA 97 N 0.84 0.56 -0.59 2.80 0.00 -1.16 -2.85 119.26 118.86 1oyp h ALA 97 Ca 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1oyp h ALA 97 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1oyp h ALA 97 CO 0.00 0.13 0.17 -0.07 0.00 0.00 0.00 179.25 179.48 1oyp h LEU 98 N 0.56 0.88 -1.43 0.00 3.38 -1.39 -2.21 115.31 115.10 1oyp h LEU 98 Ca 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1oyp h LEU 98 Cb 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1oyp h LEU 98 CO -0.02 0.87 0.00 0.03 0.09 0.00 0.00 178.44 179.41 1oyp h ARG 99 N 0.85 0.00 0.00 1.13 3.08 -1.37 -2.22 114.38 115.85 1oyp h ARG 99 Ca 0.19 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1oyp h ARG 99 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1oyp h ARG 99 CO -0.00 0.00 -0.16 0.00 -1.07 0.00 0.00 179.97 178.74 1oyp h ALA 100 N 2.10 1.02 -0.09 0.04 0.00 -1.15 -3.12 119.26 118.05 1oyp h ALA 100 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1oyp h ALA 100 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1oyp h ALA 100 CO 0.00 0.20 0.00 1.33 0.00 0.00 0.00 179.25 180.78 1oyp n VAL 101 N -3.32 1.38 -4.19 0.00 0.24 -0.85 -4.98 118.33 106.62 1oyp n VAL 101 Ca 0.00 -1.44 -0.28 0.00 -2.04 0.00 0.00 64.34 60.59 1oyp n VAL 101 Cb 0.39 0.22 -0.17 0.00 -1.47 0.00 0.00 33.84 32.81 1oyp n VAL 101 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1oyp s VAL 102 N -1.71 1.35 -0.85 3.34 1.01 -1.15 -0.29 120.40 122.11 1oyp s VAL 102 Ca 0.17 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 1oyp s VAL 102 Cb 0.13 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1oyp s VAL 102 CO 0.05 0.42 1.52 -0.62 0.00 0.00 0.00 175.10 176.47 1oyp s ASP 103 N 1.30 6.01 0.47 3.32 -1.08 -0.85 -4.85 116.67 120.99 1oyp s ASP 103 Ca -0.01 -0.74 0.26 0.00 -0.52 0.00 0.00 52.55 51.54 1oyp s ASP 103 Cb -0.14 -2.56 1.30 0.00 -1.46 0.00 0.00 42.92 40.07 1oyp s ASP 103 CO -0.06 -1.93 1.83 -0.07 0.52 0.00 0.00 175.17 175.47 1oyp h LEU 104 N 14.15 0.22 -0.44 -1.34 3.38 -1.89 -0.34 115.31 129.03 1oyp h LEU 104 Ca -0.04 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1oyp h LEU 104 Cb 1.04 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1oyp h LEU 104 CO 1.32 0.06 -0.68 -0.33 0.09 0.00 0.00 178.44 178.90 1oyp h GLU 105 N 0.20 0.44 0.00 1.13 5.08 -1.88 0.39 114.58 119.94 1oyp h GLU 105 Ca 0.51 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1oyp h GLU 105 Cb 1.65 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 1oyp h GLU 105 CO -0.13 0.96 -0.20 0.87 -1.00 0.00 0.00 179.01 179.52 1oyp h LYS 106 N 0.31 0.00 0.00 2.33 1.57 -1.43 -2.71 116.57 116.63 1oyp h LYS 106 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1oyp h LYS 106 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1oyp h LYS 106 CO 0.12 0.20 -0.22 1.25 -0.57 0.00 0.00 179.45 180.22 1oyp h LEU 107 N 0.00 0.00 0.00 2.94 5.85 -1.16 -3.44 115.31 119.50 1oyp h LEU 107 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1oyp h LEU 107 Cb 0.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1oyp h LEU 107 CO 0.03 0.22 0.00 0.61 -0.34 0.00 0.00 178.44 178.96 1oyp n GLY 108 N 0.58 -1.43 3.57 3.75 0.00 -1.02 -4.61 105.19 106.02 1oyp n GLY 108 Ca 0.01 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 1oyp n GLY 108 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oyp s GLU 109 N -2.15 2.26 0.33 1.61 2.12 -1.19 -1.50 118.70 120.18 1oyp s GLU 109 Ca 0.00 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 54.86 1oyp s GLU 109 Cb 0.00 -5.08 -0.02 0.00 0.26 0.00 0.00 34.13 29.29 1oyp s GLU 109 CO 0.00 -3.96 0.34 1.03 -0.54 0.00 0.00 175.26 172.13 1oyp s ARG 110 N 7.23 1.79 -0.16 4.30 0.52 -1.26 -4.13 118.95 127.24 1oyp s ARG 110 Ca 0.74 -1.92 -0.05 0.00 -0.52 0.00 0.00 55.73 53.98 1oyp s ARG 110 Cb -0.05 0.36 0.06 0.00 0.52 0.00 0.00 34.95 35.84 1oyp s ARG 110 CO 0.07 -0.69 0.10 0.99 0.02 0.00 0.00 175.30 175.79 1oyp s THR 111 N -3.33 -0.12 -0.57 0.02 2.01 -0.44 -0.29 115.64 112.92 1oyp s THR 111 Ca 0.37 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 62.07 1oyp s THR 111 Cb 0.02 -0.53 0.06 0.00 0.01 0.00 0.00 72.50 72.05 1oyp s THR 111 CO 0.25 -0.22 0.85 -0.63 -0.69 0.00 0.00 174.62 174.18 1oyp s ILE 112 N 2.17 4.53 -0.16 1.82 1.01 -0.43 -1.46 121.20 128.68 1oyp s ILE 112 Ca 0.03 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 1oyp s ILE 112 Cb -0.15 -4.51 -0.00 0.00 0.01 0.00 0.00 42.46 37.80 1oyp s ILE 112 CO -0.09 -1.12 1.01 0.26 0.00 0.00 0.00 174.94 175.00 1oyp s TRP 113 N 3.56 3.44 -0.19 3.97 0.52 0.20 -2.71 118.94 127.73 1oyp s TRP 113 Ca 0.23 1.52 -0.07 0.00 0.02 0.00 0.00 56.10 57.81 1oyp s TRP 113 Cb -0.16 -3.21 -0.04 0.00 -1.15 0.00 0.00 33.47 28.92 1oyp s TRP 113 CO 0.14 -0.32 0.04 0.42 0.02 0.00 0.00 176.95 177.25 1oyp s ILE 114 N 2.47 4.52 -0.23 2.03 -1.09 0.15 -0.98 121.20 128.08 1oyp s ILE 114 Ca 0.46 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.77 1oyp s ILE 114 Cb -0.17 -3.04 0.05 0.00 -1.58 0.00 0.00 42.46 37.72 1oyp s ILE 114 CO 0.13 0.45 -0.13 -1.81 -1.23 0.00 0.00 174.94 172.34 1oyp s ASP 115 N 0.58 3.86 -0.29 3.58 1.01 0.49 0.10 116.67 126.01 1oyp s ASP 115 Ca 0.02 -1.09 -0.02 0.00 0.71 0.00 0.00 52.55 52.17 1oyp s ASP 115 Cb -0.13 -1.46 0.04 0.00 1.01 0.00 0.00 42.92 42.38 1oyp s ASP 115 CO 0.02 -0.13 0.00 0.00 0.21 0.00 0.00 175.17 175.27 1oyp s ASP 117 N 1.29 4.52 -0.36 0.00 3.68 -0.15 -2.05 116.67 123.60 1oyp s ASP 117 Ca -0.03 -1.12 -0.28 0.00 2.13 0.00 0.00 52.55 53.24 1oyp s ASP 117 Cb -0.19 -1.65 0.02 0.00 -1.45 0.00 0.00 42.92 39.65 1oyp s ASP 117 CO -0.01 -0.19 1.06 -0.69 0.13 0.00 0.00 175.17 175.47 1oyp s VAL 118 N 1.25 4.46 -0.98 1.11 1.01 -0.75 -0.74 120.40 125.76 1oyp s VAL 118 Ca -0.03 1.51 0.22 0.00 0.00 0.00 0.00 61.98 63.67 1oyp s VAL 118 Cb -0.18 -4.44 -0.18 0.00 0.00 0.00 0.00 36.38 31.58 1oyp s VAL 118 CO -0.04 -0.61 1.00 2.30 0.00 0.00 0.00 175.10 177.76 1oyp n ILE 119 N 6.11 0.00 -3.16 2.22 -5.35 -0.23 -3.84 119.36 115.11 1oyp n ILE 119 Ca 0.11 -0.01 0.04 0.00 -0.27 0.00 0.00 62.75 62.62 1oyp n ILE 119 Cb 0.48 0.82 -0.01 0.00 -1.74 0.00 0.00 39.64 39.19 1oyp n ILE 119 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1oyp s GLN 120 N -3.01 0.56 -0.21 6.28 0.74 -1.05 -4.95 119.66 118.02 1oyp s GLN 120 Ca 0.08 1.00 -0.12 0.00 0.05 0.00 0.00 55.36 56.38 1oyp s GLN 120 Cb 0.16 0.55 -0.05 0.00 1.10 0.00 0.00 33.01 34.78 1oyp s GLN 120 CO 0.83 -0.60 0.20 0.00 -0.55 0.00 0.00 175.29 175.17 1oyp s ALA 121 N 2.86 3.62 -0.34 1.58 0.00 -1.26 -0.52 121.76 127.70 1oyp s ALA 121 Ca 0.20 -0.73 0.15 0.00 0.00 0.00 0.00 51.96 51.59 1oyp s ALA 121 Cb -0.15 -2.34 0.44 0.00 0.00 0.00 0.00 23.12 21.07 1oyp s ALA 121 CO -0.21 -0.08 1.26 -3.47 0.00 0.00 0.00 175.76 173.27 1oyp n ASP 122 N 4.01 -0.26 0.00 0.00 2.03 -1.26 -4.90 116.55 116.18 1oyp n ASP 122 Ca -0.14 -2.36 0.00 0.00 0.52 0.00 0.00 54.79 52.81 1oyp n ASP 122 Cb 0.52 0.25 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 1oyp n ASP 122 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1oyp n GLY 123 N -0.73 -1.28 2.84 0.27 0.00 -1.26 -2.06 105.19 102.97 1oyp n GLY 123 Ca -0.02 -1.35 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 1oyp n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oyp n GLY 124 N -0.16 -0.29 0.15 -0.02 0.00 -1.25 -4.78 105.19 98.85 1oyp n GLY 124 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1oyp n GLY 124 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1oyp h THR 125 N -1.29 1.41 -0.10 2.61 1.35 -1.94 -2.41 112.91 112.55 1oyp h THR 125 Ca -0.44 -2.51 -0.22 0.00 -0.55 0.00 0.00 66.41 62.69 1oyp h THR 125 Cb 1.30 2.47 0.01 0.00 -1.73 0.00 0.00 68.15 70.19 1oyp h THR 125 CO 0.46 0.75 -0.83 0.08 -0.25 0.00 0.00 175.52 175.73 1oyp h ARG 126 N 0.21 0.67 -0.21 4.72 0.11 -1.99 -1.58 114.38 116.30 1oyp h ARG 126 Ca -0.08 -0.59 -0.15 0.00 0.10 0.00 0.00 59.98 59.26 1oyp h ARG 126 Cb 1.61 0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.81 1oyp h ARG 126 CO 0.16 1.20 -0.49 1.79 0.10 0.00 0.00 179.97 182.73 1oyp h THR 127 N 0.44 1.31 -0.12 0.08 1.35 -1.91 -2.91 112.91 111.15 1oyp h THR 127 Ca -0.06 -1.71 -0.02 0.00 -0.55 0.00 0.00 66.41 64.07 1oyp h THR 127 Cb 1.45 1.68 -0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1oyp h THR 127 CO 0.16 0.53 0.01 0.00 -0.25 0.00 0.00 175.52 175.98 1oyp h ALA 128 N 1.01 0.16 -0.83 6.62 0.00 -1.42 -2.35 119.26 122.46 1oyp h ALA 128 Ca 0.02 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.97 1oyp h ALA 128 Cb 1.02 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 1oyp h ALA 128 CO 0.09 -0.17 0.26 0.77 0.00 0.00 0.00 179.25 180.20 1oyp h SER 129 N -0.03 0.10 -0.42 0.00 0.02 -1.21 0.52 113.55 112.53 1oyp h SER 129 Ca 0.04 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1oyp h SER 129 Cb 0.31 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1oyp h SER 129 CO 0.00 -0.06 0.12 0.40 -1.14 0.00 0.00 176.83 176.15 1oyp h ILE 130 N 0.29 1.22 -0.46 3.27 2.04 -1.31 0.70 117.51 123.27 1oyp h ILE 130 Ca 0.50 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1oyp h ILE 130 Cb 0.93 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1oyp h ILE 130 CO -0.56 0.27 0.13 0.74 0.00 0.00 0.00 178.15 178.73 1oyp h THR 131 N 0.53 1.23 -0.09 -0.27 2.02 -0.24 -2.35 112.91 113.74 1oyp h THR 131 Ca 0.13 -0.77 -0.21 0.00 0.77 0.00 0.00 66.41 66.33 1oyp h THR 131 Cb 0.29 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1oyp h THR 131 CO -0.00 0.28 -0.80 1.23 0.37 0.00 0.00 175.52 176.60 1oyp h GLY 132 N 0.61 0.63 1.10 2.16 0.00 0.04 -3.23 103.07 104.38 1oyp h GLY 132 Ca 0.15 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1oyp h GLY 132 CO -0.00 0.82 0.58 0.00 0.00 0.00 0.00 176.54 177.94 1oyp h ALA 133 N 0.74 1.32 0.20 3.60 0.00 0.51 -2.06 119.26 123.57 1oyp h ALA 133 Ca -0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1oyp h ALA 133 Cb 1.41 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1oyp h ALA 133 CO 0.15 0.61 -0.14 0.35 0.00 0.00 0.00 179.25 180.22 1oyp h PHE 134 N 1.23 -0.37 -0.42 0.00 3.57 -1.44 0.26 116.94 119.78 1oyp h PHE 134 Ca 0.33 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.89 1oyp h PHE 134 Cb -0.11 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 1oyp h PHE 134 CO 0.00 -0.22 0.07 -0.07 -2.23 0.00 0.00 178.31 175.86 1oyp h LEU 135 N -0.35 -0.01 -0.24 0.59 3.38 -1.52 0.52 115.31 117.68 1oyp h LEU 135 Ca -0.01 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1oyp h LEU 135 Cb 0.30 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1oyp h LEU 135 CO 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 178.44 178.54 1oyp h ALA 136 N 1.32 0.20 -0.94 1.53 0.00 -1.12 0.34 119.26 120.60 1oyp h ALA 136 Ca 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1oyp h ALA 136 Cb 0.26 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1oyp h ALA 136 CO -0.28 -0.44 0.56 1.98 0.00 0.00 0.00 179.25 181.08 1oyp h MET 137 N 0.05 1.28 -0.64 0.00 1.85 0.02 -1.28 114.93 116.21 1oyp h MET 137 Ca 0.11 -0.12 -0.05 0.00 -0.61 0.00 0.00 59.70 59.04 1oyp h MET 137 Cb 0.15 -0.27 -0.03 0.00 0.43 0.00 0.00 31.60 31.89 1oyp h MET 137 CO -0.21 0.90 0.22 0.00 -0.40 0.00 0.00 176.91 177.42 1oyp h ALA 138 N 1.32 0.84 -0.55 0.39 0.00 0.85 0.38 119.26 122.48 1oyp h ALA 138 Ca 0.34 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1oyp h ALA 138 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1oyp h ALA 138 CO -0.06 0.49 -0.08 0.82 0.00 0.00 0.00 179.25 180.42 1oyp h ILE 139 N 0.92 1.27 -0.42 0.00 2.04 -0.57 0.18 117.51 120.94 1oyp h ILE 139 Ca 0.21 -1.23 -0.09 0.00 1.00 0.00 0.00 64.86 64.75 1oyp h ILE 139 Cb 0.26 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1oyp h ILE 139 CO -0.01 0.44 -0.11 0.00 0.00 0.00 0.00 178.15 178.47 1oyp h ALA 140 N 0.94 0.57 -0.32 1.87 0.00 -1.01 -2.36 119.26 118.96 1oyp h ALA 140 Ca 0.15 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1oyp h ALA 140 Cb 0.64 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1oyp h ALA 140 CO 0.04 0.46 -0.39 0.82 0.00 0.00 0.00 179.25 180.18 1oyp h ILE 141 N 0.63 1.28 -1.00 0.00 2.04 -0.82 -2.48 117.51 117.17 1oyp h ILE 141 Ca 0.10 -1.56 0.04 0.00 1.00 0.00 0.00 64.86 64.44 1oyp h ILE 141 Cb 0.64 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 1oyp h ILE 141 CO 0.04 0.51 0.65 1.23 0.00 0.00 0.00 178.15 180.58 1oyp h GLY 142 N 0.91 1.47 1.66 5.37 0.00 -0.50 -0.08 103.07 111.90 1oyp h GLY 142 Ca 0.05 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.77 1oyp h GLY 142 CO 0.09 0.41 -0.43 0.50 0.00 0.00 0.00 176.54 177.11 1oyp h LYS 143 N 1.25 0.37 -0.33 4.80 1.57 -1.26 -1.45 116.57 121.52 1oyp h LYS 143 Ca 0.40 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1oyp h LYS 143 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1oyp h LYS 143 CO -0.13 0.74 0.03 -0.07 -0.57 0.00 0.00 179.45 179.45 1oyp h LEU 144 N 0.31 0.55 -0.25 2.94 4.07 -0.80 0.45 115.31 122.58 1oyp h LEU 144 Ca 0.02 -0.28 0.02 0.00 0.08 0.00 0.00 57.88 57.72 1oyp h LEU 144 Cb 0.89 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.46 1oyp h LEU 144 CO 0.07 0.70 0.11 0.40 -1.08 0.00 0.00 178.44 178.65 1oyp h ILE 145 N 0.39 0.98 -0.14 1.22 2.04 -0.87 -1.68 117.51 119.44 1oyp h ILE 145 Ca 0.10 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1oyp h ILE 145 Cb 0.40 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1oyp h ILE 145 CO 0.01 0.05 0.00 0.50 0.00 0.00 0.00 178.15 178.71 1oyp h LYS 146 N 0.25 0.05 0.00 2.37 3.11 -1.06 0.28 116.57 121.57 1oyp h LYS 146 Ca 0.10 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.94 1oyp h LYS 146 Cb 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 1oyp h LYS 146 CO -0.08 0.03 0.00 0.00 -2.81 0.00 0.00 179.45 176.59 1oyp n ALA 147 N -2.26 1.96 -1.12 5.00 0.00 0.13 -4.78 120.51 119.44 1oyp n ALA 147 Ca -0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1oyp n ALA 147 Cb 0.08 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1oyp n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oyp n GLY 148 N -0.06 0.77 0.00 0.00 0.00 0.09 -4.78 105.19 101.20 1oyp n GLY 148 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1oyp n GLY 148 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1oyp n THR 149 N -1.82 0.51 0.00 2.61 5.66 -0.67 -4.03 114.28 116.55 1oyp n THR 149 Ca -0.08 0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1oyp n THR 149 Cb 0.46 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 1oyp n THR 149 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1oyp n ILE 150 N -1.26 0.00 -3.81 1.09 -5.35 -1.25 -5.02 119.36 103.76 1oyp n ILE 150 Ca 0.08 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.25 1oyp n ILE 150 Cb 0.12 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.03 1oyp n ILE 150 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1oyp n LYS 151 N -0.81 -1.03 0.00 6.28 5.02 -1.26 -4.95 118.16 121.42 1oyp n LYS 151 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1oyp n LYS 151 Cb 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 35.03 32.07 1oyp n LYS 151 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1oyp n THR 152 N -3.63 0.00 -2.27 -0.18 5.66 -1.26 -5.13 114.28 107.46 1oyp n THR 152 Ca -0.19 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.38 1oyp n THR 152 Cb 0.62 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.37 1oyp n THR 152 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1oyp s ASN 153 N 0.00 6.43 0.04 1.09 2.47 -1.26 -4.83 114.94 118.88 1oyp s ASN 153 Ca 0.00 1.24 -0.18 0.00 0.42 0.00 0.00 52.86 54.34 1oyp s ASN 153 Cb 0.00 -2.54 -0.17 0.00 -1.45 0.00 0.00 41.25 37.09 1oyp s ASN 153 CO 0.00 -1.28 1.24 -0.65 -3.72 0.00 0.00 177.10 172.69 1oyp h PRO 154 N 10.40 0.48 -6.34 0.43 0.11 -1.88 -3.44 132.00 131.76 1oyp h PRO 154 Ca -0.29 -0.37 -0.57 0.00 0.11 0.00 0.00 66.00 64.88 1oyp h PRO 154 Cb 1.12 0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.32 1oyp h PRO 154 CO 1.04 0.99 1.16 -0.89 -0.21 0.00 0.00 178.00 180.09 1oyp n ILE 155 N -4.30 0.64 0.76 4.15 5.41 -1.26 -2.01 119.36 122.74 1oyp n ILE 155 Ca -0.08 -0.12 0.11 0.00 1.00 0.00 0.00 62.75 63.66 1oyp n ILE 155 Cb 0.55 -2.10 -0.08 0.00 -0.71 0.00 0.00 39.64 37.31 1oyp n ILE 155 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1oyp n THR 156 N 5.26 0.03 -3.57 1.39 -2.24 0.60 -4.97 114.28 110.77 1oyp n THR 156 Ca 0.21 -0.13 -0.07 0.00 -2.27 0.00 0.00 64.05 61.80 1oyp n THR 156 Cb 0.35 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 1oyp n THR 156 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oyp s ASP 157 N -3.41 -0.24 0.76 3.42 -1.08 -1.25 -5.07 116.67 109.80 1oyp s ASP 157 Ca 0.05 0.11 -0.11 0.00 -0.52 0.00 0.00 52.55 52.08 1oyp s ASP 157 Cb 0.16 0.23 0.05 0.00 -1.46 0.00 0.00 42.92 41.89 1oyp s ASP 157 CO 0.85 -0.33 1.09 -0.36 0.52 0.00 0.00 175.17 176.94 1oyp s PHE 158 N -2.05 2.68 -0.06 -5.34 0.08 -1.26 -4.86 117.98 107.17 1oyp s PHE 158 Ca 0.05 1.53 -0.03 0.00 0.12 0.00 0.00 56.93 58.60 1oyp s PHE 158 Cb -0.01 -3.02 0.03 0.00 -0.57 0.00 0.00 43.02 39.45 1oyp s PHE 158 CO -0.04 -1.69 0.13 -1.17 -0.10 0.00 0.00 175.22 172.35 1oyp s LEU 159 N -5.85 1.06 0.02 -0.37 2.96 -1.26 -2.22 118.68 113.02 1oyp s LEU 159 Ca 0.61 0.27 -0.16 0.00 -0.22 0.00 0.00 54.13 54.62 1oyp s LEU 159 Cb -0.17 0.36 0.03 0.00 0.50 0.00 0.00 46.19 46.92 1oyp s LEU 159 CO 0.56 -0.11 0.36 0.00 -1.32 0.00 0.00 176.35 175.84 1oyp s ALA 160 N 0.73 -0.86 0.09 5.97 0.00 -1.09 -4.68 121.76 121.93 1oyp s ALA 160 Ca -0.06 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1oyp s ALA 160 Cb -0.07 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1oyp s ALA 160 CO -0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 175.76 175.25 1oyp s ALA 161 N -2.14 1.05 0.22 0.00 0.00 -1.26 -2.21 121.76 117.42 1oyp s ALA 161 Ca -0.08 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.56 1oyp s ALA 161 Cb -0.02 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1oyp s ALA 161 CO -0.00 -0.07 0.48 -1.50 0.00 0.00 0.00 175.76 174.66 1oyp s ILE 162 N -2.58 0.02 0.06 0.00 1.10 -0.93 -4.61 121.20 114.26 1oyp s ILE 162 Ca 0.05 -1.19 0.09 0.00 -0.51 0.00 0.00 60.65 59.10 1oyp s ILE 162 Cb -0.02 -1.95 -0.03 0.00 0.15 0.00 0.00 42.46 40.61 1oyp s ILE 162 CO -0.01 -0.08 -0.26 -0.94 -2.11 0.00 0.00 174.94 171.54 1oyp s SER 163 N -2.96 3.11 0.18 4.50 1.04 -1.26 -1.43 113.70 116.88 1oyp s SER 163 Ca 0.17 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 56.01 1oyp s SER 163 Cb -0.01 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 1oyp s SER 163 CO 0.04 0.23 -0.03 0.68 0.98 0.00 0.00 173.24 175.13 1oyp s VAL 164 N -0.87 0.95 0.06 5.02 -7.23 0.06 0.53 120.40 118.93 1oyp s VAL 164 Ca 0.12 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 57.99 1oyp s VAL 164 Cb -0.10 -2.10 0.09 0.00 0.56 0.00 0.00 36.38 34.83 1oyp s VAL 164 CO 0.03 -0.52 1.04 -0.83 -0.31 0.00 0.00 175.10 174.51 1oyp s GLY 165 N -3.21 -0.32 -0.08 2.32 0.00 -0.83 -0.67 107.32 104.53 1oyp s GLY 165 Ca 0.23 0.51 0.05 0.00 0.00 0.00 0.00 44.72 45.50 1oyp s GLY 165 CO 0.04 0.12 -0.23 -0.42 0.00 0.00 0.00 173.10 172.62 1oyp s ILE 166 N -3.00 1.95 0.06 0.90 1.01 0.20 0.91 121.20 123.22 1oyp s ILE 166 Ca 0.11 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.85 1oyp s ILE 166 Cb 0.00 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1oyp s ILE 166 CO -0.02 0.54 -0.13 -0.62 0.00 0.00 0.00 174.94 174.71 1oyp s ASP 167 N 0.17 4.17 0.12 3.58 2.15 0.24 -2.03 116.67 125.07 1oyp s ASP 167 Ca -0.12 -0.36 -0.22 0.00 0.43 0.00 0.00 52.55 52.28 1oyp s ASP 167 Cb -0.16 -0.78 -0.04 0.00 -0.30 0.00 0.00 42.92 41.64 1oyp s ASP 167 CO 0.06 0.23 1.69 0.50 -0.17 0.00 0.00 175.17 177.48 1oyp h LYS 168 N 4.18 -0.11 0.01 4.34 3.64 -1.86 0.13 116.57 126.88 1oyp h LYS 168 Ca -0.48 0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 58.58 1oyp h LYS 168 Cb 1.16 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1oyp h LYS 168 CO 0.50 -0.08 -1.99 -0.85 -2.27 0.00 0.00 179.45 174.77 1oyp n GLU 169 N -5.24 0.66 0.07 1.90 0.28 -1.26 -4.47 120.64 112.58 1oyp n GLU 169 Ca -0.03 0.18 -0.16 0.00 -0.16 0.00 0.00 57.16 56.99 1oyp n GLU 169 Cb 0.16 -1.68 -0.14 0.00 1.43 0.00 0.00 31.44 31.21 1oyp n GLU 169 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1oyp h GLN 170 N 0.00 0.24 0.00 3.44 1.08 -1.96 -3.51 115.11 114.41 1oyp h GLN 170 Ca -0.40 -0.41 0.00 0.00 -1.45 0.00 0.00 58.65 56.39 1oyp h GLN 170 Cb 2.10 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 29.68 1oyp h GLN 170 CO 0.06 1.13 0.00 0.41 -0.95 0.00 0.00 178.83 179.47 1oyp n GLY 171 N 1.61 0.13 3.72 3.46 0.00 0.44 -4.87 105.19 109.68 1oyp n GLY 171 Ca -0.13 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 1oyp n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oyp s ILE 172 N 0.00 4.29 0.19 -0.61 1.01 -1.26 0.81 121.20 125.63 1oyp s ILE 172 Ca 0.00 1.79 0.07 0.00 0.00 0.00 0.00 60.65 62.51 1oyp s ILE 172 Cb 0.00 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1oyp s ILE 172 CO 0.00 0.22 -0.13 -0.76 0.00 0.00 0.00 174.94 174.27 1oyp s LEU 173 N 0.38 2.54 -0.06 2.97 1.43 0.26 -4.78 118.68 121.42 1oyp s LEU 173 Ca 0.52 -1.03 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1oyp s LEU 173 Cb -0.26 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.39 1oyp s LEU 173 CO 0.31 -0.23 -0.16 -0.22 0.23 0.00 0.00 176.35 176.28 1oyp s LEU 174 N -3.28 1.85 -0.68 1.79 2.96 -0.77 -1.96 118.68 118.59 1oyp s LEU 174 Ca 0.21 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1oyp s LEU 174 Cb 0.00 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.73 1oyp s LEU 174 CO 0.05 0.11 0.66 -0.67 -1.32 0.00 0.00 176.35 175.18 1oyp n ASP 175 N 3.40 -7.53 -4.76 3.68 4.64 0.19 -4.65 116.55 111.51 1oyp n ASP 175 Ca -0.20 -0.02 -0.40 0.00 -1.38 0.00 0.00 54.79 52.80 1oyp n ASP 175 Cb 0.53 -5.11 -0.04 0.00 -1.04 0.00 0.00 41.12 35.46 1oyp n ASP 175 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1oyp s LEU 176 N -3.78 4.47 0.00 -2.67 1.43 -1.25 -4.77 118.68 112.10 1oyp s LEU 176 Ca 0.02 2.33 -0.02 0.00 -1.03 0.00 0.00 54.13 55.43 1oyp s LEU 176 Cb -0.01 -3.71 0.11 0.00 0.03 0.00 0.00 46.19 42.62 1oyp s LEU 176 CO 0.71 -0.28 0.77 -0.46 0.23 0.00 0.00 176.35 177.32 1oyp n ASN 177 N 0.93 0.83 -0.25 2.29 0.23 -1.26 -3.74 115.26 114.30 1oyp n ASN 177 Ca -0.00 -1.75 -0.03 0.00 -0.53 0.00 0.00 54.58 52.27 1oyp n ASN 177 Cb 0.45 -0.51 0.08 0.00 -2.08 0.00 0.00 39.78 37.71 1oyp n ASN 177 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1oyp h TYR 178 N -0.71 0.80 -0.12 -2.53 3.20 -1.72 -2.05 116.97 113.84 1oyp h TYR 178 Ca -0.25 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.60 1oyp h TYR 178 Cb 0.88 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 1oyp h TYR 178 CO 0.00 0.45 -0.09 1.49 -1.64 0.00 0.00 178.16 178.37 1oyp h GLU 179 N 0.84 0.27 -0.47 1.82 4.57 -1.94 -2.48 114.58 117.19 1oyp h GLU 179 Ca 0.28 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1oyp h GLU 179 Cb 0.04 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1oyp h GLU 179 CO -0.12 0.65 0.23 0.93 -1.18 0.00 0.00 179.01 179.52 1oyp h GLU 180 N -0.10 0.65 -0.06 1.92 5.08 -1.92 -1.90 114.58 118.25 1oyp h GLU 180 Ca 0.02 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1oyp h GLU 180 Cb 0.58 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1oyp h GLU 180 CO 0.02 0.51 -0.60 0.22 -1.00 0.00 0.00 179.01 178.16 1oyp h ASP 181 N 0.66 0.23 0.80 1.42 3.58 -1.36 -0.59 116.42 121.15 1oyp h ASP 181 Ca 0.17 -0.13 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 1oyp h ASP 181 Cb 0.07 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1oyp h ASP 181 CO -0.02 0.77 -0.57 -1.28 -2.88 0.00 0.00 179.24 175.26 1oyp h SER 182 N 0.15 0.00 0.38 2.28 0.87 -0.89 -3.16 113.55 113.18 1oyp h SER 182 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1oyp h SER 182 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1oyp h SER 182 CO 0.09 0.57 -1.23 -1.20 -0.53 0.00 0.00 176.83 174.53 1oyp n SER 183 N -3.62 0.54 -4.75 6.23 7.64 -0.79 -4.94 113.62 113.93 1oyp n SER 183 Ca -0.00 -0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.30 1oyp n SER 183 Cb 0.62 1.03 -0.02 0.00 -1.01 0.00 0.00 64.21 64.83 1oyp n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oyp s ALA 184 N -3.27 3.63 -0.51 -0.43 0.00 -0.24 -4.73 121.76 116.21 1oyp s ALA 184 Ca 0.01 1.37 0.24 0.00 0.00 0.00 0.00 51.96 53.58 1oyp s ALA 184 Cb 0.14 -3.57 0.24 0.00 0.00 0.00 0.00 23.12 19.93 1oyp s ALA 184 CO 0.83 -0.79 1.25 1.05 0.00 0.00 0.00 175.76 178.10 1oyp h GLU 185 N 4.67 0.00 -3.02 0.00 4.11 -1.69 -3.45 114.58 115.19 1oyp h GLU 185 Ca -0.47 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.71 1oyp h GLU 185 Cb 1.22 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.14 1oyp h GLU 185 CO 0.76 0.00 -0.58 0.08 0.07 0.00 0.00 179.01 179.34 1oyp s VAL 186 N -3.23 -0.26 0.05 -1.06 1.01 -1.23 0.13 120.40 115.82 1oyp s VAL 186 Ca 0.04 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1oyp s VAL 186 Cb 0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1oyp s VAL 186 CO 0.74 0.12 -0.14 1.51 0.00 0.00 0.00 175.10 177.33 1oyp s ASP 187 N 2.05 1.66 -0.08 3.32 1.47 -0.19 -0.63 116.67 124.27 1oyp s ASP 187 Ca -0.01 -0.53 -0.09 0.00 1.18 0.00 0.00 52.55 53.10 1oyp s ASP 187 Cb -0.12 -0.08 0.02 0.00 -0.34 0.00 0.00 42.92 42.41 1oyp s ASP 187 CO -0.07 -0.02 0.25 -0.32 0.68 0.00 0.00 175.17 175.69 1oyp s MET 188 N -1.43 0.33 -0.15 2.11 1.75 0.16 -0.63 119.30 121.43 1oyp s MET 188 Ca -0.00 0.28 -0.02 0.00 -1.25 0.00 0.00 55.69 54.69 1oyp s MET 188 Cb -0.09 0.16 -0.02 0.00 2.84 0.00 0.00 34.83 37.72 1oyp s MET 188 CO 0.02 -0.05 -0.08 -0.80 -0.65 0.00 0.00 175.02 173.46 1oyp s ASN 189 N -0.04 4.42 0.18 1.11 0.02 -0.41 -0.76 114.94 119.46 1oyp s ASN 189 Ca -0.02 -0.24 0.11 0.00 -1.02 0.00 0.00 52.86 51.70 1oyp s ASN 189 Cb -0.02 -1.71 -0.04 0.00 0.02 0.00 0.00 41.25 39.50 1oyp s ASN 189 CO 0.01 0.15 -0.24 -0.69 0.02 0.00 0.00 177.10 176.34 1oyp s VAL 190 N 0.47 2.30 -0.05 1.60 1.01 -0.52 -0.87 120.40 124.34 1oyp s VAL 190 Ca -0.06 -1.97 -0.02 0.00 0.00 0.00 0.00 61.98 59.93 1oyp s VAL 190 Cb -0.15 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.19 1oyp s VAL 190 CO 0.04 -0.09 0.09 -0.63 0.00 0.00 0.00 175.10 174.51 1oyp s ILE 191 N -1.56 -0.15 0.33 2.22 1.01 0.93 -2.19 121.20 121.80 1oyp s ILE 191 Ca 0.19 0.37 0.04 0.00 0.00 0.00 0.00 60.65 61.25 1oyp s ILE 191 Cb -0.08 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 1oyp s ILE 191 CO 0.09 0.16 0.15 -0.04 0.00 0.00 0.00 174.94 175.30 1oyp s MET 192 N 2.05 1.70 0.28 2.79 -1.94 -0.94 0.56 119.30 123.80 1oyp s MET 192 Ca 0.02 -1.99 0.09 0.00 -1.71 0.00 0.00 55.69 52.10 1oyp s MET 192 Cb -0.12 -0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.42 1oyp s MET 192 CO -0.04 -0.45 0.07 0.95 -0.01 0.00 0.00 175.02 175.54 1oyp s THR 193 N -3.47 3.51 0.44 2.05 -4.23 0.48 -2.67 115.64 111.75 1oyp s THR 193 Ca 0.33 -1.76 0.20 0.00 -1.18 0.00 0.00 61.69 59.28 1oyp s THR 193 Cb 0.04 -2.98 0.40 0.00 1.34 0.00 0.00 72.50 71.30 1oyp s THR 193 CO 0.17 -0.32 1.86 1.23 -0.54 0.00 0.00 174.62 177.03 1oyp h GLY 194 N 1.72 0.72 1.31 3.99 0.00 -1.78 0.94 103.07 109.98 1oyp h GLY 194 Ca -0.45 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1oyp h GLY 194 CO 0.61 -0.01 0.00 -1.26 0.00 0.00 0.00 176.54 175.88 1oyp n SER 195 N -4.47 0.00 -0.32 0.19 2.88 -1.26 -4.79 113.62 105.84 1oyp n SER 195 Ca 0.19 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.69 1oyp n SER 195 Cb 0.75 -0.16 -0.02 0.00 -0.75 0.00 0.00 64.21 64.03 1oyp n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1oyp n GLY 196 N -0.63 0.68 3.83 0.46 0.00 0.33 -5.03 105.19 104.83 1oyp n GLY 196 Ca 0.04 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 1oyp n GLY 196 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oyp s ARG 197 N -2.43 3.26 0.37 1.61 1.81 -1.23 -4.85 118.95 117.49 1oyp s ARG 197 Ca 0.00 -0.34 -0.25 0.00 -1.72 0.00 0.00 55.73 53.42 1oyp s ARG 197 Cb 0.00 -3.01 -0.09 0.00 -0.45 0.00 0.00 34.95 31.40 1oyp s ARG 197 CO 0.00 0.69 1.02 -0.06 -0.68 0.00 0.00 175.30 176.27 1oyp s PHE 198 N -1.16 3.40 -0.09 -0.53 0.40 -1.26 -0.39 117.98 118.34 1oyp s PHE 198 Ca 0.21 1.68 0.04 0.00 -0.60 0.00 0.00 56.93 58.27 1oyp s PHE 198 Cb -0.12 -3.07 -0.09 0.00 0.51 0.00 0.00 43.02 40.26 1oyp s PHE 198 CO 0.12 -0.37 -0.03 0.28 0.70 0.00 0.00 175.22 175.92 1oyp n VAL 199 N 0.14 0.59 -3.63 -0.44 0.31 0.19 -4.89 118.33 110.59 1oyp n VAL 199 Ca 0.04 -0.29 -0.05 0.00 -0.01 0.00 0.00 64.34 64.03 1oyp n VAL 199 Cb 0.50 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.54 1oyp n VAL 199 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1oyp s GLU 200 N -2.21 0.24 -0.00 5.55 2.12 -1.07 -4.99 118.70 118.34 1oyp s GLU 200 Ca -0.09 0.20 -0.06 0.00 0.36 0.00 0.00 54.97 55.38 1oyp s GLU 200 Cb 0.03 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.54 1oyp s GLU 200 CO 0.29 -0.05 0.12 -0.48 -0.54 0.00 0.00 175.26 174.60 1oyp s LEU 201 N -0.30 1.63 -0.24 2.70 0.05 -1.26 -0.05 118.68 121.22 1oyp s LEU 201 Ca 0.05 -0.16 -0.03 0.00 0.05 0.00 0.00 54.13 54.04 1oyp s LEU 201 Cb -0.04 0.57 0.12 0.00 -2.05 0.00 0.00 46.19 44.80 1oyp s LEU 201 CO -0.09 -0.31 0.32 -1.58 -0.55 0.00 0.00 176.35 174.14 1oyp s GLN 202 N -1.15 0.30 -0.05 1.48 0.74 -0.05 -4.99 119.66 115.94 1oyp s GLN 202 Ca -0.12 0.34 -0.01 0.00 0.05 0.00 0.00 55.36 55.62 1oyp s GLN 202 Cb -0.07 -0.73 -0.03 0.00 1.10 0.00 0.00 33.01 33.28 1oyp s GLN 202 CO 0.01 -0.70 0.01 0.20 -0.55 0.00 0.00 175.29 174.26 1oyp s GLY 203 N 2.46 1.88 -0.00 2.59 0.00 -1.26 -1.28 107.32 111.70 1oyp s GLY 203 Ca 0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 43.93 1oyp s GLY 203 CO -0.17 -0.66 0.08 -1.59 0.00 0.00 0.00 173.10 170.75 1oyp s THR 204 N -0.98 0.07 -0.14 0.90 2.01 0.19 -4.99 115.64 112.71 1oyp s THR 204 Ca 0.16 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1oyp s THR 204 Cb -0.11 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1oyp s THR 204 CO 0.06 -0.32 -0.19 -0.83 -0.69 0.00 0.00 174.62 172.66 1oyp s GLY 205 N -1.03 1.42 -0.45 4.40 0.00 -1.26 -1.02 107.32 109.38 1oyp s GLY 205 Ca -0.11 -1.03 -0.15 0.00 0.00 0.00 0.00 44.72 43.42 1oyp s GLY 205 CO 0.00 -0.07 0.36 1.85 0.00 0.00 0.00 173.10 175.24 1oyp s GLU 206 N 0.69 2.98 -1.52 2.90 2.12 0.34 -4.39 118.70 121.81 1oyp s GLU 206 Ca -0.09 -1.22 -0.11 0.00 0.36 0.00 0.00 54.97 53.92 1oyp s GLU 206 Cb -0.16 -4.07 0.08 0.00 0.26 0.00 0.00 34.13 30.24 1oyp s GLU 206 CO 0.01 -0.92 0.80 0.39 -0.54 0.00 0.00 175.26 175.00 1oyp n GLU 207 N 5.19 -4.48 -3.62 4.30 1.02 -1.26 -4.72 120.64 117.07 1oyp n GLU 207 Ca -0.12 0.51 -0.04 0.00 -0.02 0.00 0.00 57.16 57.49 1oyp n GLU 207 Cb 0.45 -5.19 -0.04 0.00 -0.02 0.00 0.00 31.44 26.64 1oyp n GLU 207 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1oyp s ALA 208 N -3.46 -2.07 0.35 0.62 0.00 -1.26 -5.07 121.76 110.86 1oyp s ALA 208 Ca 0.48 1.78 0.07 0.00 0.00 0.00 0.00 51.96 54.29 1oyp s ALA 208 Cb -0.25 -1.08 -0.07 0.00 0.00 0.00 0.00 23.12 21.72 1oyp s ALA 208 CO 0.86 -0.32 -0.03 0.95 0.00 0.00 0.00 175.76 177.22 1oyp s THR 209 N -1.29 1.90 -0.01 0.00 -4.23 -1.26 -4.36 115.64 106.38 1oyp s THR 209 Ca 0.07 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 1oyp s THR 209 Cb -0.01 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1oyp s THR 209 CO -0.05 -0.13 -0.05 0.72 -0.54 0.00 0.00 174.62 174.57 1oyp s PHE 210 N -2.81 0.54 1.29 3.99 -0.71 -1.26 -5.04 117.98 113.97 1oyp s PHE 210 Ca 0.33 -0.11 -0.22 0.00 -1.04 0.00 0.00 56.93 55.90 1oyp s PHE 210 Cb 0.06 -0.38 0.32 0.00 -1.21 0.00 0.00 43.02 41.81 1oyp s PHE 210 CO 0.16 -0.03 1.08 -1.54 -1.34 0.00 0.00 175.22 173.55 1oyp s SER 211 N 0.03 0.19 0.18 1.98 1.04 -1.26 -4.86 113.70 111.01 1oyp s SER 211 Ca 0.00 0.53 0.04 0.00 0.48 0.00 0.00 55.95 57.01 1oyp s SER 211 Cb -0.04 -0.68 0.05 0.00 0.10 0.00 0.00 66.02 65.44 1oyp s SER 211 CO -0.00 -4.56 1.42 -0.09 0.98 0.00 0.00 173.24 170.99 1oyp h ARG 212 N -2.88 0.15 0.00 4.02 9.65 -2.01 -2.83 114.38 120.48 1oyp h ARG 212 Ca -0.42 -0.15 -0.08 0.00 -1.10 0.00 0.00 59.98 58.23 1oyp h ARG 212 Cb 1.29 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.90 1oyp h ARG 212 CO 0.27 0.89 -0.37 1.05 2.80 0.00 0.00 179.97 184.61 1oyp h GLU 213 N 0.08 0.00 -0.13 0.20 9.09 -1.99 -1.50 114.58 120.34 1oyp h GLU 213 Ca -0.03 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.32 1oyp h GLU 213 Cb 1.44 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.54 1oyp h GLU 213 CO 0.12 0.37 -0.15 -0.44 0.05 0.00 0.00 179.01 178.96 1oyp h ASP 214 N 0.00 0.35 -0.68 3.06 3.45 -1.88 -2.73 116.42 118.00 1oyp h ASP 214 Ca -0.00 -0.50 0.01 0.00 0.43 0.00 0.00 57.03 56.97 1oyp h ASP 214 Cb 0.70 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.33 1oyp h ASP 214 CO 0.05 0.79 0.45 0.25 -1.57 0.00 0.00 179.24 179.20 1oyp h LEU 215 N -0.07 0.76 -0.85 1.55 5.85 -1.25 -1.05 115.31 120.25 1oyp h LEU 215 Ca 0.02 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1oyp h LEU 215 Cb 0.70 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1oyp h LEU 215 CO 0.04 0.54 0.13 0.78 -0.34 0.00 0.00 178.44 179.59 1oyp h ASN 216 N 0.89 0.94 -0.37 1.25 4.21 -1.20 0.01 115.58 121.30 1oyp h ASN 216 Ca 0.25 -0.20 -0.14 0.00 1.21 0.00 0.00 56.30 57.43 1oyp h ASN 216 Cb -0.07 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 36.88 1oyp h ASN 216 CO -0.06 0.92 -0.32 1.23 -1.29 0.00 0.00 177.43 177.91 1oyp h GLY 217 N 1.04 0.95 0.92 2.83 0.00 -1.01 -1.80 103.07 106.00 1oyp h GLY 217 Ca 0.20 -0.95 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 1oyp h GLY 217 CO 0.00 0.86 0.11 1.41 0.00 0.00 0.00 176.54 178.92 1oyp h LEU 218 N 0.68 0.49 -1.46 3.11 3.38 -0.94 -1.31 115.31 119.25 1oyp h LEU 218 Ca 0.07 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1oyp h LEU 218 Cb 0.90 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1oyp h LEU 218 CO 0.08 0.56 -0.15 -0.07 0.09 0.00 0.00 178.44 178.95 1oyp h LEU 219 N 0.40 0.15 -0.19 1.67 3.38 -0.98 -0.60 115.31 119.14 1oyp h LEU 219 Ca 0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1oyp h LEU 219 Cb 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1oyp h LEU 219 CO -0.00 0.32 -0.02 1.23 0.09 0.00 0.00 178.44 180.06 1oyp h GLY 220 N 0.70 0.37 1.59 0.83 0.00 -0.82 -2.24 103.07 103.50 1oyp h GLY 220 Ca 0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1oyp h GLY 220 CO 0.02 0.27 -0.11 1.41 0.00 0.00 0.00 176.54 178.13 1oyp h LEU 221 N 0.08 0.48 0.06 3.11 3.38 -0.83 -2.59 115.31 119.00 1oyp h LEU 221 Ca 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1oyp h LEU 221 Cb 0.44 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1oyp h LEU 221 CO 0.01 0.63 -0.03 0.00 0.09 0.00 0.00 178.44 179.15 1oyp h ALA 222 N 1.42 -0.08 -0.98 1.53 0.00 -0.99 -1.09 119.26 119.07 1oyp h ALA 222 Ca 0.09 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1oyp h ALA 222 Cb 0.48 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1oyp h ALA 222 CO 0.03 -0.49 0.63 0.93 0.00 0.00 0.00 179.25 180.35 1oyp h GLU 223 N -0.20 1.11 0.23 0.00 5.08 -1.28 1.00 114.58 120.52 1oyp h GLU 223 Ca -0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1oyp h GLU 223 Cb 0.17 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1oyp h GLU 223 CO 0.01 0.74 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.43 1oyp h LYS 224 N 1.15 -0.29 -0.58 2.33 3.64 -1.20 -1.53 116.57 120.09 1oyp h LYS 224 Ca 0.42 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.79 1oyp h LYS 224 Cb 0.16 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1oyp h LYS 224 CO -0.16 -0.08 0.25 0.78 -2.27 0.00 0.00 179.45 177.97 1oyp h GLY 225 N -0.47 0.92 1.97 5.01 0.00 -0.77 -2.69 103.07 107.03 1oyp h GLY 225 Ca -0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 1oyp h GLY 225 CO 0.05 0.46 -0.42 -2.22 0.00 0.00 0.00 176.54 174.40 1oyp h ILE 226 N 0.79 1.31 0.00 2.60 2.04 -0.81 -2.12 117.51 121.32 1oyp h ILE 226 Ca 0.20 -1.47 -0.12 0.00 1.00 0.00 0.00 64.86 64.46 1oyp h ILE 226 Cb 0.17 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1oyp h ILE 226 CO -0.02 0.42 -0.59 1.56 0.00 0.00 0.00 178.15 179.53 1oyp h GLN 227 N 0.03 0.00 -0.02 2.37 1.08 -1.10 -1.52 115.11 115.95 1oyp h GLN 227 Ca -0.00 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 1oyp h GLN 227 Cb 0.76 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1oyp h GLN 227 CO 0.06 0.59 -0.88 0.93 -0.95 0.00 0.00 178.83 178.57 1oyp h GLU 228 N 0.00 0.39 -0.26 1.46 5.08 -1.17 -2.54 114.58 117.55 1oyp h GLU 228 Ca -0.01 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 57.89 1oyp h GLU 228 Cb 1.08 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1oyp h GLU 228 CO 0.08 1.06 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.99 1oyp h LEU 229 N 0.23 0.52 -0.97 1.33 3.38 -1.21 -2.33 115.31 116.27 1oyp h LEU 229 Ca -0.06 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1oyp h LEU 229 Cb 1.51 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 1oyp h LEU 229 CO 0.15 0.79 0.24 0.40 0.09 0.00 0.00 178.44 180.12 1oyp h ILE 230 N 0.25 1.24 -0.42 1.22 2.04 -1.32 -0.09 117.51 120.43 1oyp h ILE 230 Ca 0.06 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1oyp h ILE 230 Cb 0.58 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1oyp h ILE 230 CO 0.03 0.30 0.27 0.44 0.00 0.00 0.00 178.15 179.19 1oyp h ASP 231 N 0.97 0.45 -0.24 1.72 5.19 -1.35 -0.61 116.42 122.55 1oyp h ASP 231 Ca 0.22 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.58 1oyp h ASP 231 Cb 0.22 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1oyp h ASP 231 CO -0.02 0.33 0.00 0.11 -3.12 0.00 0.00 179.24 176.55 1oyp h LYS 232 N 0.54 0.53 -0.32 3.56 1.57 -0.90 -1.43 116.57 120.13 1oyp h LYS 232 Ca 0.16 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1oyp h LYS 232 Cb -0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1oyp h LYS 232 CO -0.05 0.56 0.03 1.96 -0.57 0.00 0.00 179.45 181.38 1oyp h GLN 233 N 0.51 0.48 -0.04 3.15 4.20 0.11 -2.21 115.11 121.32 1oyp h GLN 233 Ca 0.11 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 1oyp h GLN 233 Cb 0.32 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1oyp h GLN 233 CO 0.01 0.48 -0.23 0.87 -0.67 0.00 0.00 178.83 179.29 1oyp h LYS 234 N 0.47 0.22 -0.06 1.46 1.57 -0.12 -0.52 116.57 119.58 1oyp h LYS 234 Ca 0.11 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1oyp h LYS 234 Cb 0.26 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1oyp h LYS 234 CO 0.00 0.86 -0.21 1.05 -0.57 0.00 0.00 179.45 180.58 1oyp h GLU 235 N -0.36 0.10 0.02 3.15 4.11 -1.31 -0.73 114.58 119.57 1oyp h GLU 235 Ca -0.02 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.33 1oyp h GLU 235 Cb 0.91 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1oyp h GLU 235 CO 0.05 0.32 -0.24 0.28 0.07 0.00 0.00 179.01 179.48 1oyp h VAL 236 N 0.10 1.67 0.95 -1.06 2.07 -1.45 -3.38 116.25 115.15 1oyp h VAL 236 Ca 0.02 -2.36 -0.05 0.00 0.82 0.00 0.00 66.70 65.13 1oyp h VAL 236 Cb 0.43 3.26 0.01 0.00 -1.52 0.00 0.00 31.29 33.48 1oyp h VAL 236 CO 0.03 0.60 -0.46 0.25 0.02 0.00 0.00 177.57 178.02 1oyp h LEU 237 N -0.90 -1.08 0.00 2.57 5.85 -1.05 -3.45 115.31 117.25 1oyp h LEU 237 Ca -0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1oyp h LEU 237 Cb 1.13 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1oyp h LEU 237 CO 0.00 -0.75 0.00 0.61 -0.34 0.00 0.00 178.44 177.96 1oyp n GLY 238 N -1.51 2.33 0.27 3.75 0.00 -0.28 -1.89 105.19 107.85 1oyp n GLY 238 Ca -0.16 0.34 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1oyp n GLY 238 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1oyp h ASP 239 N 0.00 0.00 -0.03 1.61 1.82 -1.90 -2.72 116.42 115.21 1oyp h ASP 239 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1oyp h ASP 239 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1oyp h ASP 239 CO 0.00 0.00 0.00 -1.54 -1.61 0.00 0.00 179.24 176.09 1oyp n SER 240 N -2.63 0.20 -3.60 2.28 3.41 -0.79 -4.77 113.62 107.72 1oyp n SER 240 Ca -0.02 -1.83 -0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1oyp n SER 240 Cb 0.24 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1oyp n SER 240 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1oyp s LEU 241 N -1.18 -0.38 0.01 1.04 2.96 -1.02 -4.37 118.68 115.73 1oyp s LEU 241 Ca 0.11 0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 54.51 1oyp s LEU 241 Cb 0.05 1.53 -0.05 0.00 0.50 0.00 0.00 46.19 48.22 1oyp s LEU 241 CO 0.08 -0.09 0.33 -2.16 -1.32 0.00 0.00 176.35 173.19 1oyp s PRO 242 N 1.42 3.72 0.00 0.98 0.04 -1.26 -4.79 135.00 135.11 1oyp s PRO 242 Ca -0.08 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1oyp s PRO 242 Cb -0.03 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1oyp s PRO 242 CO -0.14 0.66 0.00 -0.85 0.04 0.00 0.00 177.00 176.71