#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nys n GLU 3 N 0.00 0.00 0.00 1.96 4.71 -1.26 -3.52 120.64 122.53 1nys n GLU 3 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 57.16 57.58 1nys n GLU 3 Cb 0.00 -1.21 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 1nys n GLU 3 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1nys n ASP 5 N 0.00 0.76 0.00 0.00 8.00 -1.26 -4.91 116.55 119.14 1nys n ASP 5 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1nys n ASP 5 Cb 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1nys n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nys n GLY 6 N 2.28 0.00 0.00 0.44 0.00 -1.26 -5.21 105.19 101.44 1nys n GLY 6 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1nys n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nys n ASN 9 N 0.00 0.00 -4.92 1.61 6.94 -1.26 -5.30 115.26 112.33 1nys n ASN 9 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 54.58 54.29 1nys n ASN 9 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 1nys n ASN 9 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1nys s ILE 10 N 0.00 5.15 0.00 1.53 1.01 -1.26 0.05 121.20 127.67 1nys s ILE 10 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1nys s ILE 10 Cb 0.00 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1nys s ILE 10 CO 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 174.94 174.69 1nys s LYS 13 N -3.74 1.69 0.22 0.00 2.20 -1.23 -1.34 119.74 117.55 1nys s LYS 13 Ca 0.32 -1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.16 1nys s LYS 13 Cb -0.07 -2.88 -0.09 0.00 -1.51 0.00 0.00 37.83 33.28 1nys s LYS 13 CO 0.23 -0.76 0.98 -1.59 -0.36 0.00 0.00 175.35 173.84 1nys s LYS 14 N 1.12 4.79 -0.27 4.03 0.00 -0.34 -4.53 119.74 124.53 1nys s LYS 14 Ca 0.01 1.55 -0.07 0.00 0.00 0.00 0.00 55.97 57.45 1nys s LYS 14 Cb -0.19 -3.28 -0.02 0.00 0.00 0.00 0.00 37.83 34.34 1nys s LYS 14 CO -0.08 0.41 0.08 -1.14 0.00 0.00 0.00 175.35 174.61 1nys s GLN 15 N -1.01 3.46 -0.04 1.78 0.74 -1.26 -2.29 119.66 121.03 1nys s GLN 15 Ca 0.43 -0.61 0.02 0.00 0.05 0.00 0.00 55.36 55.24 1nys s GLN 15 Cb -0.27 -3.36 0.01 0.00 1.10 0.00 0.00 33.01 30.50 1nys s GLN 15 CO 0.33 -0.29 -0.07 0.12 -0.55 0.00 0.00 175.29 174.83 1nys s PHE 16 N 1.58 0.91 0.17 1.67 5.36 -1.19 -5.02 117.98 121.47 1nys s PHE 16 Ca 0.05 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.76 1nys s PHE 16 Cb -0.16 -0.72 -0.04 0.00 -0.34 0.00 0.00 43.02 41.76 1nys s PHE 16 CO 0.03 -0.17 0.34 0.12 -1.46 0.00 0.00 175.22 174.08 1nys s PHE 17 N 0.65 3.49 -0.03 10.12 5.36 -1.26 -0.34 117.98 135.96 1nys s PHE 17 Ca -0.10 0.24 0.01 0.00 -0.96 0.00 0.00 56.93 56.11 1nys s PHE 17 Cb -0.13 -1.76 0.02 0.00 -0.34 0.00 0.00 43.02 40.81 1nys s PHE 17 CO 0.01 0.45 -0.01 0.08 -1.46 0.00 0.00 175.22 174.29 1nys s VAL 18 N -1.80 0.24 0.07 3.12 1.01 0.21 -4.84 120.40 118.41 1nys s VAL 18 Ca 0.37 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 62.15 1nys s VAL 18 Cb -0.11 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.90 1nys s VAL 18 CO 0.29 0.15 0.66 -0.55 0.00 0.00 0.00 175.10 175.65 1nys s SER 19 N 0.85 7.15 0.14 3.32 0.15 -1.26 -1.29 113.70 122.76 1nys s SER 19 Ca -0.09 1.37 0.19 0.00 0.70 0.00 0.00 55.95 58.12 1nys s SER 19 Cb -0.12 -2.42 0.81 0.00 -1.71 0.00 0.00 66.02 62.58 1nys s SER 19 CO -0.01 0.17 1.59 0.49 1.20 0.00 0.00 173.24 176.68 1nys n PHE 20 N 2.13 0.43 0.13 3.44 3.72 -0.43 -1.93 117.46 124.95 1nys n PHE 20 Ca -0.07 0.17 -0.22 0.00 -0.05 0.00 0.00 57.45 57.29 1nys n PHE 20 Cb 0.50 -0.78 -0.15 0.00 -0.94 0.00 0.00 39.48 38.12 1nys n PHE 20 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1nys h LYS 21 N 0.00 0.47 0.00 -1.08 3.64 -1.92 0.26 116.57 117.95 1nys h LYS 21 Ca 0.00 -0.78 0.00 0.00 -1.27 0.00 0.00 60.65 58.60 1nys h LYS 21 Cb 0.31 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1nys h LYS 21 CO 0.00 1.37 0.00 -0.25 -2.27 0.00 0.00 179.45 178.30 1nys n ASP 22 N -3.67 0.00 0.00 4.20 8.00 -0.81 -1.90 116.55 122.36 1nys n ASP 22 Ca -0.14 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.23 1nys n ASP 22 Cb 1.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 1nys n ASP 22 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1nys n ILE 23 N -0.55 0.00 0.00 0.53 5.41 -1.17 -4.97 119.36 118.61 1nys n ILE 23 Ca 0.01 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1nys n ILE 23 Cb 0.01 0.57 0.00 0.00 -0.71 0.00 0.00 39.64 39.50 1nys n ILE 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1nys n GLY 24 N 0.75 0.30 0.27 7.39 0.00 -0.75 -4.96 105.19 108.18 1nys n GLY 24 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1nys n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nys n TRP 25 N -1.85 0.00 0.18 1.61 7.02 0.78 -4.13 117.44 121.04 1nys n TRP 25 Ca 0.00 0.00 0.18 0.00 -1.02 0.00 0.00 57.50 56.66 1nys n TRP 25 Cb 0.00 -0.07 0.81 0.00 -2.42 0.00 0.00 31.31 29.63 1nys n TRP 25 CO 0.00 0.00 0.00 -2.95 -2.02 0.00 0.00 177.69 172.72 1nys h ASN 26 N 1.33 0.00 0.33 -0.99 -1.07 -1.47 -2.15 115.58 111.56 1nys h ASN 26 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.15 1nys h ASN 26 Cb 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1nys h ASN 26 CO 0.00 0.00 -0.91 0.44 0.07 0.00 0.00 177.43 177.03 1nys h ASP 27 N 0.00 0.52 0.20 6.14 3.32 -1.88 -3.31 116.42 121.41 1nys h ASP 27 Ca 0.11 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1nys h ASP 27 Cb 0.70 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1nys h ASP 27 CO -0.00 1.20 -0.71 -2.67 -1.72 0.00 0.00 179.24 175.34 1nys n TRP 28 N -3.75 0.00 -3.88 4.55 4.27 -0.86 -4.84 117.44 112.93 1nys n TRP 28 Ca -0.06 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.19 1nys n TRP 28 Cb 0.82 -0.10 -0.14 0.00 -1.36 0.00 0.00 31.31 30.53 1nys n TRP 28 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1nys s ILE 29 N -2.91 3.31 0.04 -1.67 1.01 -0.91 -1.68 121.20 118.39 1nys s ILE 29 Ca 0.11 -0.86 -0.16 0.00 0.00 0.00 0.00 60.65 59.74 1nys s ILE 29 Cb 0.17 -2.68 -0.28 0.00 0.01 0.00 0.00 42.46 39.68 1nys s ILE 29 CO 0.75 0.17 1.09 0.40 0.00 0.00 0.00 174.94 177.36 1nys h ILE 30 N 6.00 1.32 -2.07 2.92 2.04 -0.37 -3.44 117.51 123.91 1nys h ILE 30 Ca -0.33 -2.39 -0.06 0.00 1.00 0.00 0.00 64.86 63.09 1nys h ILE 30 Cb 1.12 2.69 -0.20 0.00 -0.74 0.00 0.00 36.82 39.69 1nys h ILE 30 CO 0.59 0.72 0.13 0.00 0.00 0.00 0.00 178.15 179.58 1nys s ALA 31 N -3.00 -1.71 1.00 1.87 0.00 -0.53 -4.66 121.76 114.74 1nys s ALA 31 Ca -0.10 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1nys s ALA 31 Cb 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1nys s ALA 31 CO 0.91 -0.35 0.00 -0.35 0.00 0.00 0.00 175.76 175.97 1nys n PRO 32 N 1.78 -0.04 0.08 0.00 -0.04 -1.26 -0.09 135.00 135.43 1nys n PRO 32 Ca -0.17 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1nys n PRO 32 Cb 0.56 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.25 1nys n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1nys h SER 33 N -0.23 0.00 -2.05 3.54 4.64 -1.92 -3.48 113.55 114.05 1nys h SER 33 Ca 0.00 -0.13 0.05 0.00 -0.47 0.00 0.00 61.79 61.24 1nys h SER 33 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1nys h SER 33 CO 0.00 0.07 0.30 0.61 -0.87 0.00 0.00 176.83 176.93 1nys n GLY 34 N 1.31 1.05 3.41 -0.77 0.00 -1.26 -1.32 105.19 107.61 1nys n GLY 34 Ca 0.04 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 1nys n GLY 34 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nys s TYR 35 N -3.93 1.16 -0.47 1.61 1.13 -0.41 -4.95 117.35 111.49 1nys s TYR 35 Ca 0.13 -1.33 -0.14 0.00 -1.41 0.00 0.00 57.07 54.32 1nys s TYR 35 Cb -0.02 -0.28 0.09 0.00 -1.10 0.00 0.00 41.96 40.64 1nys s TYR 35 CO 0.05 -0.98 0.39 -1.01 -2.51 0.00 0.00 175.55 171.50 1nys s HIS 36 N -3.44 3.27 -0.91 -3.49 3.76 -1.26 -0.62 115.29 112.60 1nys s HIS 36 Ca 0.33 -1.12 -0.19 0.00 -0.15 0.00 0.00 55.06 53.93 1nys s HIS 36 Cb 0.01 -3.25 0.12 0.00 1.11 0.00 0.00 32.58 30.57 1nys s HIS 36 CO 0.19 -0.85 1.12 0.00 -0.85 0.00 0.00 174.74 174.35 1nys s ALA 37 N 1.59 3.33 0.04 -1.40 0.00 0.54 -4.46 121.76 121.40 1nys s ALA 37 Ca 0.04 -2.68 -0.04 0.00 0.00 0.00 0.00 51.96 49.28 1nys s ALA 37 Cb -0.25 -4.04 -0.05 0.00 0.00 0.00 0.00 23.12 18.78 1nys s ALA 37 CO 0.05 -2.98 0.25 -0.80 0.00 0.00 0.00 175.76 172.29 1nys s ASN 38 N 3.68 6.44 0.16 0.00 0.01 -1.26 -3.16 114.94 120.81 1nys s ASN 38 Ca 0.32 0.45 0.01 0.00 -0.71 0.00 0.00 52.86 52.93 1nys s ASN 38 Cb -0.06 -2.04 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 1nys s ASN 38 CO -0.08 0.20 0.02 -0.72 -1.51 0.00 0.00 177.10 175.01 1nys s TYR 39 N -1.41 1.11 -0.34 2.20 -0.85 -0.97 -4.60 117.35 112.49 1nys s TYR 39 Ca 0.31 -1.08 -0.09 0.00 -0.52 0.00 0.00 57.07 55.70 1nys s TYR 39 Cb -0.13 -0.64 0.02 0.00 0.38 0.00 0.00 41.96 41.60 1nys s TYR 39 CO 0.21 -0.30 0.15 0.00 -1.52 0.00 0.00 175.55 174.09 1nys s GLU 41 N 1.52 1.55 0.00 0.00 2.02 -0.45 -4.77 118.70 118.57 1nys s GLU 41 Ca 0.02 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1nys s GLU 41 Cb -0.19 -1.35 0.00 0.00 0.10 0.00 0.00 34.13 32.69 1nys s GLU 41 CO 0.05 0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.90 1nys n GLY 42 N 3.33 3.42 3.80 -1.39 0.00 -1.26 0.74 105.19 113.83 1nys n GLY 42 Ca -0.19 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 1nys n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nys s GLU 43 N -2.13 4.38 -0.03 1.61 2.12 0.11 -4.13 118.70 120.63 1nys s GLU 43 Ca 0.00 1.20 0.03 0.00 0.36 0.00 0.00 54.97 56.56 1nys s GLU 43 Cb 0.00 -2.46 -0.00 0.00 0.26 0.00 0.00 34.13 31.93 1nys s GLU 43 CO 0.00 0.11 -0.12 0.00 -0.54 0.00 0.00 175.26 174.71 1nys n PRO 45 N 3.10 -1.20 -3.97 0.00 -0.04 -1.26 -4.83 135.00 126.80 1nys n PRO 45 Ca -0.17 -0.63 -0.29 0.00 -0.04 0.00 0.00 63.50 62.37 1nys n PRO 45 Cb 0.54 -1.28 -0.04 0.00 -0.04 0.00 0.00 33.50 32.68 1nys n PRO 45 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1nys s SER 46 N -1.95 6.08 0.63 3.54 0.15 -1.26 -4.51 113.70 116.38 1nys s SER 46 Ca 0.29 0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.95 1nys s SER 46 Cb -0.05 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.45 1nys s SER 46 CO 0.24 0.12 1.04 -2.28 1.20 0.00 0.00 173.24 173.56 1nys s HIS 47 N -1.59 3.29 0.00 3.44 2.46 -1.26 -5.06 115.29 116.57 1nys s HIS 47 Ca 0.33 1.40 0.00 0.00 0.47 0.00 0.00 55.06 57.27 1nys s HIS 47 Cb -0.12 -2.84 0.00 0.00 -0.13 0.00 0.00 32.58 29.49 1nys s HIS 47 CO 0.26 -0.93 0.00 -0.89 -2.47 0.00 0.00 174.74 170.72 1nys n ILE 48 N -2.61 0.00 0.00 0.89 5.41 -1.26 -5.02 119.36 116.77 1nys n ILE 48 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 1nys n ILE 48 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.47 1nys n ILE 48 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1nys n LEU 77 N 0.00 0.00 -5.00 1.39 4.77 -1.26 -5.27 117.00 111.63 1nys n LEU 77 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1nys n LEU 77 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1nys n LEU 77 CO 0.00 0.00 0.21 -0.54 -1.33 0.00 0.00 177.39 175.73 1nys s LYS 78 N 0.00 2.54 -0.15 3.23 1.02 -1.26 -4.94 119.74 120.18 1nys s LYS 78 Ca 0.00 -1.50 -0.07 0.00 0.02 0.00 0.00 55.97 54.43 1nys s LYS 78 Cb 0.00 -2.62 0.06 0.00 -0.52 0.00 0.00 37.83 34.75 1nys s LYS 78 CO 0.00 -0.53 0.33 0.45 -0.92 0.00 0.00 175.35 174.68 1nys s SER 79 N -4.45 -0.15 0.16 2.83 0.15 -1.26 -4.80 113.70 106.17 1nys s SER 79 Ca 0.55 0.75 0.08 0.00 0.70 0.00 0.00 55.95 58.03 1nys s SER 79 Cb -0.07 0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 65.00 1nys s SER 79 CO 0.34 -0.21 -0.05 0.00 1.20 0.00 0.00 173.24 174.52 1nys s VAL 82 N 5.07 1.77 0.39 0.00 -7.23 0.55 -4.60 120.40 116.35 1nys s VAL 82 Ca 0.35 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.28 1nys s VAL 82 Cb -0.09 -2.86 -0.09 0.00 0.56 0.00 0.00 36.38 33.90 1nys s VAL 82 CO 0.18 0.00 1.04 -2.84 -0.31 0.00 0.00 175.10 173.17 1nys s PRO 83 N -3.75 4.20 0.00 4.82 0.02 -1.26 -0.11 135.00 138.92 1nys s PRO 83 Ca 0.31 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1nys s PRO 83 Cb 0.09 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 32.05 1nys s PRO 83 CO 0.16 -0.10 0.44 0.25 -0.33 0.00 0.00 177.00 177.42 1nys n THR 84 N -0.04 0.12 -3.65 0.99 -2.24 0.20 -4.76 114.28 104.89 1nys n THR 84 Ca 0.05 -0.42 -0.06 0.00 -2.27 0.00 0.00 64.05 61.35 1nys n THR 84 Cb 0.50 1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 69.83 1nys n THR 84 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1nys s LYS 85 N -0.12 0.56 -0.06 -0.78 2.20 -0.93 -4.89 119.74 115.72 1nys s LYS 85 Ca 0.00 1.21 0.06 0.00 -0.36 0.00 0.00 55.97 56.88 1nys s LYS 85 Cb 0.00 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.70 1nys s LYS 85 CO 0.00 -0.18 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.05 1nys s LEU 86 N 2.17 2.09 0.16 5.43 1.43 -1.26 -0.40 118.68 128.30 1nys s LEU 86 Ca -0.07 -0.50 0.10 0.00 -1.03 0.00 0.00 54.13 52.62 1nys s LEU 86 Cb -0.09 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1nys s LEU 86 CO -0.17 0.24 -0.19 -0.60 0.23 0.00 0.00 176.35 175.86 1nys s ARG 87 N -0.16 1.72 0.61 1.70 3.52 -0.46 -4.74 118.95 121.14 1nys s ARG 87 Ca -0.04 -1.35 -0.02 0.00 -0.13 0.00 0.00 55.73 54.20 1nys s ARG 87 Cb -0.14 -2.00 0.05 0.00 -1.56 0.00 0.00 34.95 31.30 1nys s ARG 87 CO 0.04 0.43 0.87 -2.14 -0.81 0.00 0.00 175.30 173.69 1nys s PRO 88 N -2.52 2.38 0.05 5.12 0.02 -1.26 -2.02 135.00 136.77 1nys s PRO 88 Ca 0.20 -0.61 0.03 0.00 0.02 0.00 0.00 61.00 60.64 1nys s PRO 88 Cb -0.09 -2.37 -0.02 0.00 0.02 0.00 0.00 34.50 32.04 1nys s PRO 88 CO 0.11 -0.93 -0.09 1.41 -0.33 0.00 0.00 177.00 177.17 1nys s MET 89 N -4.95 0.61 -0.06 5.54 1.75 -0.07 -4.87 119.30 117.25 1nys s MET 89 Ca 0.59 -0.79 -0.11 0.00 -1.25 0.00 0.00 55.69 54.13 1nys s MET 89 Cb -0.10 -0.45 -0.05 0.00 2.84 0.00 0.00 34.83 37.07 1nys s MET 89 CO 0.41 0.09 0.28 -1.12 -0.65 0.00 0.00 175.02 174.03 1nys s SER 90 N -1.55 6.61 0.05 1.11 0.01 -1.26 0.49 113.70 119.16 1nys s SER 90 Ca -0.07 0.73 0.02 0.00 1.31 0.00 0.00 55.95 57.94 1nys s SER 90 Cb -0.10 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 1nys s SER 90 CO 0.01 0.36 -0.08 -0.04 0.41 0.00 0.00 173.24 173.90 1nys s MET 91 N -1.04 0.61 -0.26 12.44 -1.94 -0.60 -4.20 119.30 124.31 1nys s MET 91 Ca 0.20 -0.87 0.01 0.00 -1.71 0.00 0.00 55.69 53.32 1nys s MET 91 Cb -0.14 -0.33 0.07 0.00 2.01 0.00 0.00 34.83 36.44 1nys s MET 91 CO 0.09 0.05 -0.02 -1.17 -0.01 0.00 0.00 175.02 173.96 1nys s LEU 92 N -1.83 3.01 0.18 -0.03 2.96 0.87 -2.77 118.68 121.06 1nys s LEU 92 Ca -0.06 -1.43 -0.01 0.00 -0.22 0.00 0.00 54.13 52.41 1nys s LEU 92 Cb -0.08 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 1nys s LEU 92 CO -0.00 -0.28 0.12 -0.72 -1.32 0.00 0.00 176.35 174.15 1nys s TYR 93 N 1.30 1.04 -0.10 5.38 -0.85 -0.81 0.35 117.35 123.66 1nys s TYR 93 Ca -0.01 -1.31 -0.06 0.00 -0.52 0.00 0.00 57.07 55.17 1nys s TYR 93 Cb -0.19 -0.51 -0.04 0.00 0.38 0.00 0.00 41.96 41.60 1nys s TYR 93 CO -0.09 -0.61 0.12 0.71 -1.52 0.00 0.00 175.55 174.16 1nys s TYR 94 N -4.12 3.52 0.56 -3.49 1.51 -0.68 0.07 117.35 114.72 1nys s TYR 94 Ca 0.34 0.45 0.09 0.00 -1.01 0.00 0.00 57.07 56.94 1nys s TYR 94 Cb 0.07 -1.90 0.08 0.00 -0.11 0.00 0.00 41.96 40.09 1nys s TYR 94 CO 0.08 0.68 0.74 0.16 -1.11 0.00 0.00 175.55 176.11 1nys s ASP 95 N -1.10 5.11 0.16 2.29 1.47 -1.12 -4.89 116.67 118.59 1nys s ASP 95 Ca 0.16 -0.84 -0.31 0.00 1.18 0.00 0.00 52.55 52.74 1nys s ASP 95 Cb -0.12 0.22 -0.06 0.00 -0.34 0.00 0.00 42.92 42.62 1nys s ASP 95 CO 0.05 -1.27 1.54 -2.24 0.68 0.00 0.00 175.17 173.93 1nys h ASP 96 N 0.26 -2.08 0.00 2.11 3.04 -2.00 -1.37 116.42 116.39 1nys h ASP 96 Ca -0.31 0.31 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1nys h ASP 96 Cb 1.29 0.92 0.00 0.00 -1.04 0.00 0.00 39.33 40.50 1nys h ASP 96 CO 0.42 -0.26 0.00 0.61 -2.04 0.00 0.00 179.24 177.97 1nys n GLY 97 N -1.28 0.00 1.78 7.15 0.00 -1.26 -4.65 105.19 106.93 1nys n GLY 97 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1nys n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nys n GLN 98 N 0.86 -1.27 -4.36 1.61 1.13 -0.52 -4.93 117.38 109.92 1nys n GLN 98 Ca 0.00 0.54 -0.34 0.00 -1.94 0.00 0.00 57.00 55.26 1nys n GLN 98 Cb 0.00 -4.65 -0.12 0.00 0.11 0.00 0.00 30.24 25.58 1nys n GLN 98 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1nys s ASN 99 N -1.74 4.92 0.15 1.08 4.22 -1.25 -4.88 114.94 117.45 1nys s ASN 99 Ca 0.00 -0.09 -0.31 0.00 -2.14 0.00 0.00 52.86 50.32 1nys s ASN 99 Cb 0.00 -1.78 -0.10 0.00 1.28 0.00 0.00 41.25 40.65 1nys s ASN 99 CO 0.00 0.18 1.68 -0.63 -2.04 0.00 0.00 177.10 176.29 1nys s ILE 100 N 0.28 2.50 0.20 0.54 1.01 -1.26 -2.79 121.20 121.67 1nys s ILE 100 Ca -0.02 0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.98 1nys s ILE 100 Cb -0.14 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1nys s ILE 100 CO 0.03 0.01 -0.21 -0.63 0.00 0.00 0.00 174.94 174.14 1nys s ILE 101 N 1.72 2.13 -0.16 2.92 -1.09 0.11 -4.99 121.20 121.83 1nys s ILE 101 Ca 0.74 -2.06 -0.03 0.00 -2.23 0.00 0.00 60.65 57.07 1nys s ILE 101 Cb -0.45 -2.04 0.05 0.00 -1.58 0.00 0.00 42.46 38.44 1nys s ILE 101 CO 0.33 -0.27 0.03 -0.75 -1.23 0.00 0.00 174.94 173.05 1nys s LYS 102 N -2.91 0.57 0.09 2.79 2.36 -1.26 -1.92 119.74 119.46 1nys s LYS 102 Ca 0.20 -0.26 0.04 0.00 -2.55 0.00 0.00 55.97 53.41 1nys s LYS 102 Cb -0.06 -1.82 -0.03 0.00 -1.05 0.00 0.00 37.83 34.87 1nys s LYS 102 CO 0.09 -0.57 -0.11 0.21 1.55 0.00 0.00 175.35 176.52 1nys s LYS 103 N 1.92 0.84 -0.56 4.03 2.20 -1.11 -5.00 119.74 122.05 1nys s LYS 103 Ca 0.01 -1.10 -0.18 0.00 -0.36 0.00 0.00 55.97 54.34 1nys s LYS 103 Cb -0.16 -0.62 0.09 0.00 -1.51 0.00 0.00 37.83 35.63 1nys s LYS 103 CO -0.07 0.11 0.65 -0.51 -0.36 0.00 0.00 175.35 175.17 1nys s ASP 104 N -2.24 6.19 -0.05 1.43 1.01 -1.26 -1.56 116.67 120.19 1nys s ASP 104 Ca 0.03 -1.33 -0.30 0.00 0.71 0.00 0.00 52.55 51.66 1nys s ASP 104 Cb -0.05 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 1nys s ASP 104 CO 0.01 -1.01 1.39 -0.63 0.21 0.00 0.00 175.17 175.13 1nys s ILE 105 N 2.52 3.88 0.79 0.77 -1.09 0.18 -4.83 121.20 123.42 1nys s ILE 105 Ca 0.11 1.19 -0.12 0.00 -2.23 0.00 0.00 60.65 59.60 1nys s ILE 105 Cb -0.23 -3.76 0.06 0.00 -1.58 0.00 0.00 42.46 36.95 1nys s ILE 105 CO 0.07 -0.04 1.10 -1.10 -1.23 0.00 0.00 174.94 173.74 1nys s GLN 106 N 2.92 2.15 -0.96 2.79 -1.52 -1.26 -0.89 119.66 122.88 1nys s GLN 106 Ca 0.62 0.56 -0.16 0.00 -1.95 0.00 0.00 55.36 54.43 1nys s GLN 106 Cb -0.29 -1.93 0.02 0.00 -0.22 0.00 0.00 33.01 30.59 1nys s GLN 106 CO 0.24 -1.55 0.30 0.09 -0.25 0.00 0.00 175.29 174.11 1nys n ASN 107 N -3.37 -1.52 -0.08 5.90 3.02 -1.24 -4.83 115.26 113.14 1nys n ASN 107 Ca 0.07 -0.93 0.01 0.00 -0.03 0.00 0.00 54.58 53.70 1nys n ASN 107 Cb 0.57 -1.13 0.01 0.00 -0.61 0.00 0.00 39.78 38.62 1nys n ASN 107 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1nys n MET 108 N -3.78 0.94 -3.86 3.52 2.81 -0.99 -4.95 117.12 110.81 1nys n MET 108 Ca -0.14 -1.05 -0.18 0.00 -1.81 0.00 0.00 57.70 54.52 1nys n MET 108 Cb 0.44 -1.04 -0.17 0.00 -0.71 0.00 0.00 33.22 31.75 1nys n MET 108 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1nys s ILE 109 N -0.53 0.14 -0.39 2.02 1.01 -0.86 -4.75 121.20 117.84 1nys s ILE 109 Ca 0.03 0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 1nys s ILE 109 Cb 0.02 -0.28 0.01 0.00 0.01 0.00 0.00 42.46 42.23 1nys s ILE 109 CO 0.02 0.16 0.78 -0.69 0.00 0.00 0.00 174.94 175.21 1nys s VAL 110 N 1.33 4.71 -0.17 2.92 1.01 -1.26 -1.35 120.40 127.58 1nys s VAL 110 Ca -0.05 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 1nys s VAL 110 Cb -0.13 -4.24 -0.22 0.00 0.00 0.00 0.00 36.38 31.78 1nys s VAL 110 CO -0.02 -0.53 0.23 1.21 0.00 0.00 0.00 175.10 175.98 1nys n GLU 111 N 6.51 0.67 -3.96 2.72 4.07 0.46 -4.71 120.64 126.41 1nys n GLU 111 Ca 0.03 0.37 -0.12 0.00 -0.06 0.00 0.00 57.16 57.38 1nys n GLU 111 Cb 0.48 -1.70 -0.13 0.00 -0.06 0.00 0.00 31.44 30.04 1nys n GLU 111 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1nys s GLU 112 N -2.48 0.19 0.11 5.31 2.02 -1.14 -4.98 118.70 117.73 1nys s GLU 112 Ca -0.27 -0.28 0.08 0.00 0.02 0.00 0.00 54.97 54.53 1nys s GLU 112 Cb 0.07 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.22 1nys s GLU 112 CO 0.68 0.00 -0.14 0.00 0.02 0.00 0.00 175.26 175.82 1nys s GLY 114 N -2.15 0.82 -0.12 0.00 0.00 0.84 -4.79 107.32 101.92 1nys s GLY 114 Ca 0.20 -1.06 -0.05 0.00 0.00 0.00 0.00 44.72 43.81 1nys s GLY 114 CO 0.12 -0.57 0.06 0.00 0.00 0.00 0.00 173.10 172.71