#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nyu s GLU 3 N 0.00 2.76 0.52 1.96 4.04 -1.26 -2.50 118.70 124.22 1nyu s GLU 3 Ca 0.00 1.04 0.03 0.00 0.04 0.00 0.00 54.97 56.08 1nyu s GLU 3 Cb 0.00 -1.96 0.03 0.00 0.02 0.00 0.00 34.13 32.21 1nyu s GLU 3 CO 0.00 -1.24 0.73 0.00 -1.84 0.00 0.00 175.26 172.91 1nyu n ASP 5 N -2.24 0.00 -3.38 0.00 5.75 -1.26 -5.05 116.55 110.38 1nyu n ASP 5 Ca 0.08 -0.72 -0.48 0.00 -0.01 0.00 0.00 54.79 53.66 1nyu n ASP 5 Cb 0.60 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.60 1nyu n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nyu n GLY 6 N 0.00 0.04 3.67 6.12 0.00 -1.26 -4.68 105.19 109.09 1nyu n GLY 6 Ca 0.00 0.78 -0.42 0.00 0.00 0.00 0.00 46.02 46.38 1nyu n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nyu s LYS 7 N 3.13 4.16 0.00 1.61 1.02 -1.26 -5.02 119.74 123.38 1nyu s LYS 7 Ca 0.82 2.46 0.00 0.00 0.02 0.00 0.00 55.97 59.28 1nyu s LYS 7 Cb -1.11 -3.88 0.00 0.00 -0.52 0.00 0.00 37.83 32.32 1nyu s LYS 7 CO 0.56 -0.86 0.00 1.55 -0.92 0.00 0.00 175.35 175.68 1nyu n VAL 8 N 5.17 0.00 -1.69 3.17 3.14 -1.26 -5.21 118.33 121.65 1nyu n VAL 8 Ca 0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.56 1nyu n VAL 8 Cb 0.41 -0.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 1nyu n VAL 8 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1nyu n ILE 10 N -0.61 0.00 -3.08 1.55 -0.00 -1.26 -4.87 119.36 111.09 1nyu n ILE 10 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 62.75 62.31 1nyu n ILE 10 Cb 0.00 -1.24 -0.06 0.00 -0.00 0.00 0.00 39.64 38.35 1nyu n ILE 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1nyu s LYS 13 N -3.80 3.67 -0.38 0.00 2.20 -1.04 -1.63 119.74 118.76 1nyu s LYS 13 Ca 0.15 -0.50 -0.15 0.00 -0.36 0.00 0.00 55.97 55.11 1nyu s LYS 13 Cb 0.02 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1nyu s LYS 13 CO 0.08 0.09 0.33 -1.59 -0.36 0.00 0.00 175.35 173.90 1nyu s LYS 14 N 0.81 3.27 -0.48 4.03 0.00 0.14 -2.52 119.74 124.98 1nyu s LYS 14 Ca 0.01 -0.73 -0.26 0.00 0.00 0.00 0.00 55.97 54.99 1nyu s LYS 14 Cb -0.14 -3.89 0.03 0.00 0.00 0.00 0.00 37.83 33.82 1nyu s LYS 14 CO 0.02 -0.64 0.97 -0.65 0.00 0.00 0.00 175.35 175.05 1nyu s GLN 15 N 1.87 3.52 -0.03 1.78 -0.21 -1.26 -1.48 119.66 123.85 1nyu s GLN 15 Ca 0.08 0.15 0.05 0.00 0.02 0.00 0.00 55.36 55.66 1nyu s GLN 15 Cb -0.18 -3.95 -0.01 0.00 1.00 0.00 0.00 33.01 29.88 1nyu s GLN 15 CO 0.11 -1.31 -0.17 0.12 -2.12 0.00 0.00 175.29 171.92 1nyu s PHE 16 N 3.94 1.67 0.05 0.91 2.19 0.17 -5.02 117.98 121.89 1nyu s PHE 16 Ca 0.38 -0.43 0.03 0.00 0.33 0.00 0.00 56.93 57.24 1nyu s PHE 16 Cb -0.10 -1.11 -0.04 0.00 -1.31 0.00 0.00 43.02 40.46 1nyu s PHE 16 CO 0.26 -0.12 0.04 0.12 1.83 0.00 0.00 175.22 177.35 1nyu s PHE 17 N -0.11 3.12 -0.01 10.12 5.36 -1.26 0.12 117.98 135.32 1nyu s PHE 17 Ca -0.00 0.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.04 1nyu s PHE 17 Cb -0.10 -1.63 0.01 0.00 -0.34 0.00 0.00 43.02 40.97 1nyu s PHE 17 CO 0.01 0.50 -0.01 0.54 -1.46 0.00 0.00 175.22 174.80 1nyu s VAL 18 N -1.27 0.16 0.13 3.12 0.11 0.20 -4.86 120.40 118.00 1nyu s VAL 18 Ca 0.25 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.04 1nyu s VAL 18 Cb -0.12 -0.20 -0.07 0.00 -1.53 0.00 0.00 36.38 34.46 1nyu s VAL 18 CO 0.17 0.09 0.80 -0.55 -3.33 0.00 0.00 175.10 172.28 1nyu s SER 19 N 0.47 7.37 0.42 3.54 0.15 -1.26 -1.89 113.70 122.50 1nyu s SER 19 Ca -0.04 1.62 0.20 0.00 0.70 0.00 0.00 55.95 58.43 1nyu s SER 19 Cb -0.07 -2.51 0.94 0.00 -1.71 0.00 0.00 66.02 62.67 1nyu s SER 19 CO -0.01 0.13 1.87 -0.26 1.20 0.00 0.00 173.24 176.16 1nyu h PHE 20 N 4.82 0.00 -0.91 3.44 0.04 -1.50 -1.98 116.94 120.85 1nyu h PHE 20 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1nyu h PHE 20 Cb 1.21 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.31 1nyu h PHE 20 CO 0.64 0.28 0.57 -0.22 -0.60 0.00 0.00 178.31 178.99 1nyu h LYS 21 N 0.00 1.22 0.00 1.51 3.64 -1.89 0.68 116.57 121.73 1nyu h LYS 21 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1nyu h LYS 21 Cb 0.65 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1nyu h LYS 21 CO 0.04 0.84 0.00 -0.25 -2.27 0.00 0.00 179.45 177.80 1nyu n ASP 22 N -4.37 0.00 -0.04 4.20 8.00 -0.75 -2.20 116.55 121.39 1nyu n ASP 22 Ca 0.10 0.41 0.03 0.00 0.71 0.00 0.00 54.79 56.05 1nyu n ASP 22 Cb 0.04 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 1nyu n ASP 22 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1nyu n ILE 23 N -1.45 0.00 -0.43 0.53 2.08 -0.19 -4.99 119.36 114.90 1nyu n ILE 23 Ca 0.04 -0.36 0.00 0.00 0.56 0.00 0.00 62.75 62.99 1nyu n ILE 23 Cb 0.14 1.02 0.00 0.00 -0.75 0.00 0.00 39.64 40.05 1nyu n ILE 23 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1nyu n GLY 24 N 1.06 0.77 0.66 7.39 0.00 -0.10 -4.96 105.19 110.01 1nyu n GLY 24 Ca 0.02 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.98 1nyu n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nyu n TRP 25 N -2.43 0.29 0.48 1.61 7.02 0.04 -4.57 117.44 119.88 1nyu n TRP 25 Ca 0.00 -0.26 0.05 0.00 -1.02 0.00 0.00 57.50 56.26 1nyu n TRP 25 Cb 0.00 -0.01 0.24 0.00 -2.42 0.00 0.00 31.31 29.12 1nyu n TRP 25 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 1nyu n ASN 26 N 0.73 0.00 -0.02 -0.99 6.94 -1.10 -3.30 115.26 117.52 1nyu n ASN 26 Ca 0.11 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.46 1nyu n ASN 26 Cb 0.40 -0.19 -0.13 0.00 -2.36 0.00 0.00 39.78 37.50 1nyu n ASN 26 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1nyu h ASP 27 N 0.00 0.32 0.55 0.53 3.32 -1.90 -3.38 116.42 115.85 1nyu h ASP 27 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1nyu h ASP 27 Cb 0.06 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1nyu h ASP 27 CO 0.00 1.71 -0.34 -2.67 -1.72 0.00 0.00 179.24 176.22 1nyu n TRP 28 N -3.83 0.00 -3.71 4.55 4.27 -1.21 -4.77 117.44 112.74 1nyu n TRP 28 Ca -0.30 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 52.94 1nyu n TRP 28 Cb 0.92 -0.28 -0.12 0.00 -1.36 0.00 0.00 31.31 30.48 1nyu n TRP 28 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1nyu s ILE 29 N -2.89 4.56 -0.09 -1.67 1.01 -1.22 -0.06 121.20 120.84 1nyu s ILE 29 Ca 0.15 -0.09 -0.26 0.00 0.00 0.00 0.00 60.65 60.45 1nyu s ILE 29 Cb 0.18 -3.15 -0.27 0.00 0.01 0.00 0.00 42.46 39.24 1nyu s ILE 29 CO 0.63 0.31 0.88 0.40 0.00 0.00 0.00 174.94 177.16 1nyu h ILE 30 N 5.51 1.64 -2.48 2.92 5.03 -0.80 -3.46 117.51 125.86 1nyu h ILE 30 Ca -0.37 -2.29 -0.08 0.00 -0.12 0.00 0.00 64.86 62.00 1nyu h ILE 30 Cb 1.18 3.16 -0.18 0.00 -3.03 0.00 0.00 36.82 37.94 1nyu h ILE 30 CO 0.57 0.62 0.02 0.00 -0.68 0.00 0.00 178.15 178.69 1nyu s ALA 31 N -2.55 -1.39 1.12 1.87 0.00 -0.60 -4.73 121.76 115.49 1nyu s ALA 31 Ca -0.16 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.47 1nyu s ALA 31 Cb -0.01 0.12 0.26 0.00 0.00 0.00 0.00 23.12 23.50 1nyu s ALA 31 CO 0.75 -0.38 1.22 -1.25 0.00 0.00 0.00 175.76 176.10 1nyu s PRO 32 N -1.57 -0.59 0.47 0.00 0.04 -1.26 -0.16 135.00 131.93 1nyu s PRO 32 Ca -0.10 -0.31 0.27 0.00 0.04 0.00 0.00 61.00 60.90 1nyu s PRO 32 Cb -0.02 -1.69 0.77 0.00 0.04 0.00 0.00 34.50 33.60 1nyu s PRO 32 CO 0.05 -3.25 1.76 0.77 0.04 0.00 0.00 177.00 176.38 1nyu h SER 33 N -2.24 0.00 0.00 6.66 0.02 -1.95 -3.48 113.55 112.56 1nyu h SER 33 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1nyu h SER 33 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1nyu h SER 33 CO 0.32 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.62 1nyu n GLY 34 N 0.68 0.79 3.60 -3.77 0.00 -1.26 -1.16 105.19 104.06 1nyu n GLY 34 Ca 0.03 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 1nyu n GLY 34 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nyu s TYR 35 N -2.00 1.82 -0.33 1.61 1.13 -0.79 -4.91 117.35 113.88 1nyu s TYR 35 Ca 0.00 -1.17 -0.17 0.00 -1.41 0.00 0.00 57.07 54.32 1nyu s TYR 35 Cb 0.00 -1.32 -0.01 0.00 -1.10 0.00 0.00 41.96 39.53 1nyu s TYR 35 CO 0.00 -0.11 0.46 -1.01 -2.51 0.00 0.00 175.55 172.38 1nyu s HIS 36 N -3.08 3.20 -0.22 -3.49 3.76 -1.26 -0.62 115.29 113.57 1nyu s HIS 36 Ca 0.17 0.18 -0.21 0.00 -0.15 0.00 0.00 55.06 55.06 1nyu s HIS 36 Cb 0.02 -2.81 -0.02 0.00 1.11 0.00 0.00 32.58 30.88 1nyu s HIS 36 CO 0.10 -0.46 0.63 0.00 -0.85 0.00 0.00 174.74 174.16 1nyu s ALA 37 N 2.26 3.58 -0.12 -1.40 0.00 0.33 -4.57 121.76 121.83 1nyu s ALA 37 Ca 0.17 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1nyu s ALA 37 Cb -0.16 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1nyu s ALA 37 CO 0.12 -0.67 -0.15 -0.80 0.00 0.00 0.00 175.76 174.27 1nyu s ASN 38 N 1.32 2.52 0.05 0.00 0.01 -1.26 -0.66 114.94 116.93 1nyu s ASN 38 Ca 0.28 -0.45 0.08 0.00 -0.71 0.00 0.00 52.86 52.06 1nyu s ASN 38 Cb -0.16 -1.12 -0.03 0.00 0.41 0.00 0.00 41.25 40.36 1nyu s ASN 38 CO 0.09 -0.02 -0.20 -0.72 -1.51 0.00 0.00 177.10 174.75 1nyu s TYR 39 N 1.20 2.50 -0.31 2.20 1.13 -0.55 -4.55 117.35 118.96 1nyu s TYR 39 Ca -0.02 -0.29 -0.21 0.00 -1.41 0.00 0.00 57.07 55.14 1nyu s TYR 39 Cb -0.14 -1.43 -0.01 0.00 -1.10 0.00 0.00 41.96 39.29 1nyu s TYR 39 CO -0.05 0.24 0.66 0.00 -2.51 0.00 0.00 175.55 173.90 1nyu s GLU 41 N 2.69 1.08 0.00 0.00 2.02 -0.64 -4.82 118.70 119.03 1nyu s GLU 41 Ca 0.27 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.10 1nyu s GLU 41 Cb -0.15 -1.10 0.00 0.00 0.10 0.00 0.00 34.13 32.98 1nyu s GLU 41 CO 0.12 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.68 1nyu n GLY 42 N 4.34 2.68 3.84 -1.39 0.00 -1.24 -1.29 105.19 112.12 1nyu n GLY 42 Ca -0.19 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 1nyu n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nyu s GLU 43 N -2.00 4.05 0.07 1.61 2.02 -0.62 -4.27 118.70 119.57 1nyu s GLU 43 Ca 0.00 0.97 0.03 0.00 0.02 0.00 0.00 54.97 55.99 1nyu s GLU 43 Cb 0.00 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 1nyu s GLU 43 CO 0.00 -0.14 -0.08 0.00 0.02 0.00 0.00 175.26 175.06 1nyu s PRO 45 N -2.61 0.92 -0.12 0.00 0.02 -1.26 -4.92 135.00 127.02 1nyu s PRO 45 Ca 0.01 0.90 0.02 0.00 0.02 0.00 0.00 61.00 61.95 1nyu s PRO 45 Cb -0.03 -1.76 -0.24 0.00 0.02 0.00 0.00 34.50 32.48 1nyu s PRO 45 CO -0.01 -2.50 0.34 0.43 -0.33 0.00 0.00 177.00 174.93 1nyu n SER 46 N -4.07 1.54 -0.34 2.53 7.64 -1.26 -4.29 113.62 115.38 1nyu n SER 46 Ca 0.07 0.20 0.01 0.00 1.01 0.00 0.00 58.87 60.16 1nyu n SER 46 Cb 0.55 -0.39 0.15 0.00 -1.01 0.00 0.00 64.21 63.50 1nyu n SER 46 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1nyu h HIS 47 N 0.03 1.09 0.00 1.43 3.86 -1.98 -3.33 115.15 116.25 1nyu h HIS 47 Ca -0.42 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1nyu h HIS 47 Cb 2.03 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 30.14 1nyu h HIS 47 CO 0.04 0.57 0.00 0.44 0.86 0.00 0.00 177.93 179.84 1nyu n ILE 48 N -4.56 0.00 -0.22 2.45 -0.00 -1.26 -4.48 119.36 111.29 1nyu n ILE 48 Ca 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.83 1nyu n ILE 48 Cb 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.75 1nyu n ILE 48 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1nyu n LEU 77 N 0.00 -0.56 -3.76 7.28 4.32 -1.26 -5.09 117.00 117.92 1nyu n LEU 77 Ca 0.00 0.95 -0.13 0.00 -0.02 0.00 0.00 56.01 56.82 1nyu n LEU 77 Cb 0.00 -0.13 -0.12 0.00 -1.62 0.00 0.00 43.42 41.55 1nyu n LEU 77 CO 0.00 -0.77 -0.08 -0.54 -1.22 0.00 0.00 177.39 174.78 1nyu s LYS 78 N -5.19 0.29 0.12 3.23 -0.14 -1.25 -4.96 119.74 111.83 1nyu s LYS 78 Ca -0.06 0.43 0.08 0.00 -1.36 0.00 0.00 55.97 55.05 1nyu s LYS 78 Cb 0.06 0.08 -0.04 0.00 -1.68 0.00 0.00 37.83 36.25 1nyu s LYS 78 CO 0.33 -0.07 -0.10 0.45 -0.76 0.00 0.00 175.35 175.19 1nyu s SER 79 N 0.46 4.34 0.05 2.83 0.15 -1.26 -4.91 113.70 115.36 1nyu s SER 79 Ca -0.03 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.22 1nyu s SER 79 Cb -0.04 -0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 63.44 1nyu s SER 79 CO -0.02 0.16 -0.11 0.00 1.20 0.00 0.00 173.24 174.47 1nyu s VAL 82 N 3.62 0.23 0.12 0.00 -7.23 0.28 -4.78 120.40 112.64 1nyu s VAL 82 Ca 0.63 -1.20 -0.31 0.00 -1.81 0.00 0.00 61.98 59.29 1nyu s VAL 82 Cb -0.27 -0.68 -0.10 0.00 0.56 0.00 0.00 36.38 35.89 1nyu s VAL 82 CO 0.21 -0.62 1.83 -2.16 -0.31 0.00 0.00 175.10 174.05 1nyu s PRO 83 N -2.19 4.14 0.01 4.82 0.04 -1.26 -0.12 135.00 140.44 1nyu s PRO 83 Ca -0.08 2.59 0.22 0.00 0.04 0.00 0.00 61.00 63.77 1nyu s PRO 83 Cb -0.05 -3.62 -0.16 0.00 0.04 0.00 0.00 34.50 30.71 1nyu s PRO 83 CO -0.03 -0.85 0.83 2.41 0.04 0.00 0.00 177.00 179.41 1nyu n THR 84 N 4.77 0.06 -3.67 1.26 -1.04 0.13 -4.80 114.28 110.98 1nyu n THR 84 Ca 0.18 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.05 61.86 1nyu n THR 84 Cb 0.38 0.45 -0.09 0.00 -1.82 0.00 0.00 70.33 69.26 1nyu n THR 84 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1nyu s LYS 85 N -3.21 0.62 0.31 -2.82 2.20 -1.09 -4.95 119.74 110.80 1nyu s LYS 85 Ca 0.02 0.91 0.09 0.00 -0.36 0.00 0.00 55.97 56.63 1nyu s LYS 85 Cb 0.15 0.20 -0.05 0.00 -1.51 0.00 0.00 37.83 36.62 1nyu s LYS 85 CO 0.86 -0.12 0.00 -0.51 -0.36 0.00 0.00 175.35 175.22 1nyu s LEU 86 N 0.89 3.05 0.06 5.43 1.02 -1.26 -0.62 118.68 127.24 1nyu s LEU 86 Ca -0.05 -0.85 -0.05 0.00 0.02 0.00 0.00 54.13 53.20 1nyu s LEU 86 Cb -0.05 -1.50 -0.02 0.00 0.02 0.00 0.00 46.19 44.64 1nyu s LEU 86 CO -0.08 -0.14 0.08 0.00 0.02 0.00 0.00 176.35 176.23 1nyu s ARG 87 N -3.70 0.66 0.43 1.70 1.70 0.46 -4.78 118.95 115.42 1nyu s ARG 87 Ca 0.34 -0.96 -0.21 0.00 -0.47 0.00 0.00 55.73 54.43 1nyu s ARG 87 Cb -0.03 0.25 -0.11 0.00 -0.57 0.00 0.00 34.95 34.49 1nyu s ARG 87 CO 0.20 -0.17 0.95 -2.14 -1.08 0.00 0.00 175.30 173.06 1nyu s PRO 88 N -3.35 4.23 -0.12 3.89 0.02 -1.26 -0.56 135.00 137.85 1nyu s PRO 88 Ca 0.01 1.13 0.03 0.00 0.02 0.00 0.00 61.00 62.20 1nyu s PRO 88 Cb 0.03 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1nyu s PRO 88 CO -0.08 -0.03 -0.23 1.41 -0.33 0.00 0.00 177.00 177.74 1nyu s MET 89 N -3.15 2.98 0.31 5.54 1.75 0.57 -4.83 119.30 122.47 1nyu s MET 89 Ca 0.62 -0.85 -0.27 0.00 -1.25 0.00 0.00 55.69 53.94 1nyu s MET 89 Cb -0.09 -2.33 -0.09 0.00 2.84 0.00 0.00 34.83 35.16 1nyu s MET 89 CO 0.13 0.09 1.01 -1.12 -0.65 0.00 0.00 175.02 174.48 1nyu s SER 90 N 0.57 7.24 -0.01 1.11 0.01 -1.26 0.66 113.70 122.03 1nyu s SER 90 Ca -0.13 2.02 -0.03 0.00 1.31 0.00 0.00 55.95 59.12 1nyu s SER 90 Cb -0.17 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.46 1nyu s SER 90 CO 0.04 -0.14 0.05 -0.04 0.41 0.00 0.00 173.24 173.56 1nyu s MET 91 N -1.82 0.23 -0.22 12.44 -1.94 0.45 -4.37 119.30 124.06 1nyu s MET 91 Ca 0.49 -0.22 -0.01 0.00 -1.71 0.00 0.00 55.69 54.24 1nyu s MET 91 Cb -0.24 0.09 0.06 0.00 2.01 0.00 0.00 34.83 36.75 1nyu s MET 91 CO 0.31 -0.04 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.09 1nyu s LEU 92 N -0.71 2.03 0.00 -0.03 2.96 0.77 -1.28 118.68 122.42 1nyu s LEU 92 Ca -0.08 -1.06 0.01 0.00 -0.22 0.00 0.00 54.13 52.79 1nyu s LEU 92 Cb -0.05 -0.94 -0.00 0.00 0.50 0.00 0.00 46.19 45.69 1nyu s LEU 92 CO 0.00 -0.27 0.42 0.00 -1.32 0.00 0.00 176.35 175.18 1nyu n TYR 93 N 4.82 -1.24 -3.74 5.38 4.11 -0.40 -0.09 117.16 126.00 1nyu n TYR 93 Ca -0.10 -2.52 -0.37 0.00 -0.00 0.00 0.00 57.90 54.91 1nyu n TYR 93 Cb 0.45 0.47 -0.06 0.00 -0.00 0.00 0.00 39.34 40.20 1nyu n TYR 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1nyu s TYR 94 N -3.05 3.61 0.61 -3.48 2.02 0.92 0.18 117.35 118.16 1nyu s TYR 94 Ca 0.33 0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 57.64 1nyu s TYR 94 Cb -0.00 -2.08 0.13 0.00 -0.40 0.00 0.00 41.96 39.61 1nyu s TYR 94 CO 0.23 0.64 0.84 -0.40 -1.57 0.00 0.00 175.55 175.29 1nyu n ASP 95 N 2.19 0.80 0.28 2.29 5.75 0.41 -4.84 116.55 123.43 1nyu n ASP 95 Ca -0.17 -1.75 0.19 0.00 -0.01 0.00 0.00 54.79 53.05 1nyu n ASP 95 Cb 0.54 -0.57 1.01 0.00 -1.03 0.00 0.00 41.12 41.07 1nyu n ASP 95 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1nyu h ASP 96 N -0.69 0.00 -0.71 -1.12 3.32 -1.99 -2.27 116.42 112.96 1nyu h ASP 96 Ca -0.27 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.39 1nyu h ASP 96 Cb 0.93 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.27 1nyu h ASP 96 CO 0.26 0.00 0.50 0.61 -1.72 0.00 0.00 179.24 178.89 1nyu n GLY 97 N -1.15 3.98 3.65 2.75 0.00 -1.26 -4.80 105.19 108.36 1nyu n GLY 97 Ca -0.02 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 1nyu n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nyu n GLN 98 N -0.59 -4.10 -3.78 1.61 1.13 -0.86 -4.91 117.38 105.89 1nyu n GLN 98 Ca 0.43 0.52 -0.36 0.00 -1.94 0.00 0.00 57.00 55.65 1nyu n GLN 98 Cb 1.20 -5.30 -0.13 0.00 0.11 0.00 0.00 30.24 26.12 1nyu n GLN 98 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1nyu s ASN 99 N -2.99 4.99 0.02 1.08 2.47 -1.22 -4.87 114.94 114.42 1nyu s ASN 99 Ca 0.54 -0.24 -0.30 0.00 0.42 0.00 0.00 52.86 53.28 1nyu s ASN 99 Cb -0.28 -1.89 -0.06 0.00 -1.45 0.00 0.00 41.25 37.57 1nyu s ASN 99 CO 0.66 -0.03 1.49 -0.63 -3.72 0.00 0.00 177.10 174.87 1nyu s ILE 100 N 1.58 3.51 0.13 -5.21 1.01 -1.26 0.16 121.20 121.12 1nyu s ILE 100 Ca 0.06 0.89 0.08 0.00 0.00 0.00 0.00 60.65 61.69 1nyu s ILE 100 Cb -0.15 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1nyu s ILE 100 CO 0.02 -0.01 -0.19 -0.63 0.00 0.00 0.00 174.94 174.14 1nyu s ILE 101 N 2.57 1.73 -0.13 2.92 -1.09 0.47 -4.90 121.20 122.77 1nyu s ILE 101 Ca 0.67 -1.74 -0.01 0.00 -2.23 0.00 0.00 60.65 57.34 1nyu s ILE 101 Cb -0.34 -1.69 0.04 0.00 -1.58 0.00 0.00 42.46 38.89 1nyu s ILE 101 CO 0.28 -0.22 -0.02 -0.75 -1.23 0.00 0.00 174.94 173.01 1nyu s LYS 102 N -2.40 0.99 0.05 2.79 2.36 -1.26 -1.27 119.74 120.99 1nyu s LYS 102 Ca 0.11 -0.21 0.01 0.00 -2.55 0.00 0.00 55.97 53.33 1nyu s LYS 102 Cb -0.07 -1.55 -0.03 0.00 -1.05 0.00 0.00 37.83 35.12 1nyu s LYS 102 CO 0.05 -0.39 -0.05 0.15 1.55 0.00 0.00 175.35 176.66 1nyu s LYS 103 N 1.82 0.53 -0.53 4.03 3.01 -0.41 -4.98 119.74 123.21 1nyu s LYS 103 Ca 0.03 -0.90 -0.21 0.00 -1.01 0.00 0.00 55.97 53.88 1nyu s LYS 103 Cb -0.14 -0.05 0.06 0.00 -1.01 0.00 0.00 37.83 36.69 1nyu s LYS 103 CO -0.07 -0.03 0.72 -0.51 0.51 0.00 0.00 175.35 175.98 1nyu s ASP 104 N -2.06 6.25 -0.04 2.83 1.01 -1.26 -0.42 116.67 122.98 1nyu s ASP 104 Ca -0.05 -0.80 -0.30 0.00 0.71 0.00 0.00 52.55 52.11 1nyu s ASP 104 Cb -0.04 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 1nyu s ASP 104 CO -0.03 -1.01 1.32 -0.63 0.21 0.00 0.00 175.17 175.03 1nyu s ILE 105 N 3.03 3.97 0.52 0.77 -1.09 0.21 -4.84 121.20 123.78 1nyu s ILE 105 Ca 0.19 1.31 -0.17 0.00 -2.23 0.00 0.00 60.65 59.75 1nyu s ILE 105 Cb -0.18 -3.84 -0.07 0.00 -1.58 0.00 0.00 42.46 36.79 1nyu s ILE 105 CO 0.13 -0.02 1.00 -1.58 -1.23 0.00 0.00 174.94 173.24 1nyu s GLN 106 N 2.51 3.84 -1.55 2.79 2.00 -1.26 -0.32 119.66 127.67 1nyu s GLN 106 Ca 0.60 1.02 -0.03 0.00 -2.00 0.00 0.00 55.36 54.95 1nyu s GLN 106 Cb -0.28 -2.12 0.03 0.00 0.80 0.00 0.00 33.01 31.44 1nyu s GLN 106 CO 0.24 -0.37 0.19 0.09 -0.50 0.00 0.00 175.29 174.94 1nyu n ASN 107 N -1.60 0.21 -0.02 6.67 3.02 -1.25 -4.87 115.26 117.41 1nyu n ASN 107 Ca 0.07 -1.20 0.03 0.00 -0.03 0.00 0.00 54.58 53.45 1nyu n ASN 107 Cb 0.54 -2.00 -0.10 0.00 -0.61 0.00 0.00 39.78 37.61 1nyu n ASN 107 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1nyu n MET 108 N -4.49 0.84 -4.39 3.52 2.81 -0.39 -4.85 117.12 110.17 1nyu n MET 108 Ca -0.27 -0.09 -0.33 0.00 -1.81 0.00 0.00 57.70 55.21 1nyu n MET 108 Cb 0.66 -1.30 -0.16 0.00 -0.71 0.00 0.00 33.22 31.71 1nyu n MET 108 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1nyu s ILE 109 N -2.73 2.41 -0.47 2.02 -1.09 0.28 -4.93 121.20 116.68 1nyu s ILE 109 Ca -0.05 -0.85 -0.28 0.00 -2.23 0.00 0.00 60.65 57.25 1nyu s ILE 109 Cb 0.07 -2.01 -0.01 0.00 -1.58 0.00 0.00 42.46 38.93 1nyu s ILE 109 CO 0.52 0.52 1.67 -0.69 -1.23 0.00 0.00 174.94 175.73 1nyu s VAL 110 N 1.02 3.58 -0.10 2.92 1.01 -1.26 -0.41 120.40 127.15 1nyu s VAL 110 Ca -0.02 0.51 -0.19 0.00 0.00 0.00 0.00 61.98 62.29 1nyu s VAL 110 Cb -0.15 -3.99 -0.16 0.00 0.00 0.00 0.00 36.38 32.09 1nyu s VAL 110 CO -0.05 -0.77 0.59 -0.08 0.00 0.00 0.00 175.10 174.79 1nyu h GLU 111 N 12.75 -0.05 -4.94 2.72 4.81 -1.17 -3.44 114.58 125.25 1nyu h GLU 111 Ca -0.29 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.62 1nyu h GLU 111 Cb 1.14 0.01 -0.20 0.00 0.63 0.00 0.00 28.75 30.34 1nyu h GLU 111 CO 1.13 0.52 -0.74 -1.21 -0.73 0.00 0.00 179.01 177.97 1nyu s GLU 112 N -2.37 0.75 -0.05 1.92 2.02 -1.13 -5.00 118.70 114.84 1nyu s GLU 112 Ca -0.12 -1.00 0.04 0.00 0.02 0.00 0.00 54.97 53.90 1nyu s GLU 112 Cb -0.01 -0.53 -0.02 0.00 0.10 0.00 0.00 34.13 33.66 1nyu s GLU 112 CO 0.44 0.10 -0.16 0.00 0.02 0.00 0.00 175.26 175.66 1nyu n GLY 114 N 2.45 3.16 3.50 0.00 0.00 0.83 -4.69 105.19 110.45 1nyu n GLY 114 Ca -0.17 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 1nyu n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32