#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1i n SER 9 N 0.00 0.67 0.28 -3.46 3.41 -1.26 -3.63 113.62 109.63 1n1i n SER 9 Ca 0.00 0.05 0.19 0.00 -0.26 0.00 0.00 58.87 58.85 1n1i n SER 9 Cb 0.00 0.27 0.97 0.00 -0.26 0.00 0.00 64.21 65.19 1n1i n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n1i h ALA 10 N 2.54 1.00 -0.12 7.33 0.00 -2.02 -0.70 119.26 127.30 1n1i h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n1i h ALA 10 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1n1i h ALA 10 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1n1i n HIS 11 N -2.86 0.13 -2.86 0.00 8.25 -1.24 -4.78 115.22 111.87 1n1i n HIS 11 Ca -0.02 -0.06 -0.41 0.00 -0.26 0.00 0.00 57.72 56.97 1n1i n HIS 11 Cb 0.11 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 1n1i n HIS 11 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1n1i s LYS 12 N -1.87 4.44 0.53 -0.41 2.20 -0.27 -0.64 119.74 123.71 1n1i s LYS 12 Ca 0.33 1.15 -0.22 0.00 -0.36 0.00 0.00 55.97 56.87 1n1i s LYS 12 Cb 0.20 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 1n1i s LYS 12 CO 0.31 -0.12 1.35 0.00 -0.36 0.00 0.00 175.35 176.53 1n1i n ILE 14 N -0.89 0.00 -2.65 0.00 -5.35 -1.26 -4.90 119.36 104.31 1n1i n ILE 14 Ca 0.10 -0.08 0.01 0.00 -0.27 0.00 0.00 62.75 62.50 1n1i n ILE 14 Cb 0.45 1.19 0.04 0.00 -1.74 0.00 0.00 39.64 39.59 1n1i n ILE 14 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1n1i n ASP 15 N -0.12 1.50 -3.89 7.28 4.64 -1.26 -5.06 116.55 119.63 1n1i n ASP 15 Ca 0.00 -2.13 -0.15 0.00 -1.38 0.00 0.00 54.79 51.13 1n1i n ASP 15 Cb 0.05 -0.41 -0.15 0.00 -1.04 0.00 0.00 41.12 39.57 1n1i n ASP 15 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1n1i s THR 16 N -2.41 0.24 -0.52 5.18 2.01 -1.26 -5.09 115.64 113.78 1n1i s THR 16 Ca 0.31 -0.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.98 1n1i s THR 16 Cb 0.35 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 72.64 1n1i s THR 16 CO -0.09 0.10 1.02 0.20 -0.69 0.00 0.00 174.62 175.17 1n1i s ASN 17 N 0.32 6.45 -0.24 3.53 0.01 -1.26 -4.99 114.94 118.77 1n1i s ASN 17 Ca -0.03 -0.00 -0.25 0.00 -0.71 0.00 0.00 52.86 51.87 1n1i s ASN 17 Cb -0.06 -2.48 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 1n1i s ASN 17 CO -0.01 -1.24 0.83 -0.69 -1.51 0.00 0.00 177.10 174.48 1n1i s VAL 18 N 4.20 4.84 0.81 1.60 1.01 -1.26 -5.03 120.40 126.58 1n1i s VAL 18 Ca 0.38 1.57 -0.13 0.00 0.00 0.00 0.00 61.98 63.79 1n1i s VAL 18 Cb -0.10 -4.12 0.08 0.00 0.00 0.00 0.00 36.38 32.24 1n1i s VAL 18 CO 0.24 -0.06 1.12 -2.65 0.00 0.00 0.00 175.10 173.75 1n1i n PRO 19 N 5.93 0.14 -1.86 2.72 -0.02 -1.26 -4.92 135.00 135.73 1n1i n PRO 19 Ca 0.05 0.12 -0.39 0.00 -2.02 0.00 0.00 63.50 61.26 1n1i n PRO 19 Cb 0.48 -2.37 0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1n1i n PRO 19 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1n1i s GLU 20 N -4.02 3.59 -1.26 -0.52 2.12 -1.26 -3.11 118.70 114.24 1n1i s GLU 20 Ca 0.72 2.29 -0.02 0.00 0.36 0.00 0.00 54.97 58.32 1n1i s GLU 20 Cb -0.29 -2.55 0.01 0.00 0.26 0.00 0.00 34.13 31.56 1n1i s GLU 20 CO 0.52 -0.85 0.95 0.09 -0.54 0.00 0.00 175.26 175.43 1n1i n ASN 21 N -0.39 -2.52 -3.91 -1.70 3.02 -1.26 -4.06 115.26 104.44 1n1i n ASN 21 Ca 0.06 -0.67 -0.08 0.00 -0.03 0.00 0.00 54.58 53.86 1n1i n ASN 21 Cb 0.43 -4.79 -0.08 0.00 -0.61 0.00 0.00 39.78 34.73 1n1i n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n1i s ALA 22 N -3.43 -0.06 0.19 5.41 0.00 -1.18 -2.15 121.76 120.54 1n1i s ALA 22 Ca 0.11 -0.75 0.10 0.00 0.00 0.00 0.00 51.96 51.42 1n1i s ALA 22 Cb -0.05 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1n1i s ALA 22 CO 0.75 -0.49 -0.17 0.00 0.00 0.00 0.00 175.76 175.85 1n1i s ALA 23 N -3.88 2.72 -0.02 0.00 0.00 0.20 -4.79 121.76 116.00 1n1i s ALA 23 Ca 0.06 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.46 1n1i s ALA 23 Cb 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1n1i s ALA 23 CO -0.10 0.44 -0.06 0.00 0.00 0.00 0.00 175.76 176.04 1n1i s TYR 25 N 0.16 1.89 -0.26 0.00 5.04 0.52 -4.51 117.35 120.19 1n1i s TYR 25 Ca -0.02 -0.65 -0.08 0.00 -2.44 0.00 0.00 57.07 53.88 1n1i s TYR 25 Cb -0.06 -1.29 -0.03 0.00 0.35 0.00 0.00 41.96 40.93 1n1i s TYR 25 CO -0.00 -0.26 0.10 0.50 -1.34 0.00 0.00 175.55 174.55 1n1i s ARG 26 N 0.26 3.67 0.47 4.97 3.52 0.18 -1.38 118.95 130.65 1n1i s ARG 26 Ca -0.10 -0.48 -0.15 0.00 -0.13 0.00 0.00 55.73 54.88 1n1i s ARG 26 Cb -0.14 -3.41 -0.08 0.00 -1.56 0.00 0.00 34.95 29.76 1n1i s ARG 26 CO 0.04 -0.21 0.91 0.71 -0.81 0.00 0.00 175.30 175.94 1n1i s TYR 27 N 1.64 3.45 0.52 5.12 2.02 0.15 -4.23 117.35 126.02 1n1i s TYR 27 Ca 0.06 1.33 0.22 0.00 -0.37 0.00 0.00 57.07 58.32 1n1i s TYR 27 Cb -0.15 -2.68 1.33 0.00 -0.40 0.00 0.00 41.96 40.06 1n1i s TYR 27 CO 0.05 -0.26 2.02 -0.07 -1.57 0.00 0.00 175.55 175.71 1n1i h LEU 28 N 1.10 0.05 0.00 -1.29 4.07 -1.87 0.11 115.31 117.48 1n1i h LEU 28 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1n1i h LEU 28 Cb 1.18 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1n1i h LEU 28 CO 0.62 0.03 0.00 -0.90 -1.08 0.00 0.00 178.44 177.11 1n1i n ASP 29 N -4.42 0.00 0.00 -0.43 5.75 -1.26 -4.83 116.55 111.36 1n1i n ASP 29 Ca 0.08 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 1n1i n ASP 29 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1n1i n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n1i n GLY 30 N 0.40 0.70 3.77 6.12 0.00 0.38 -5.05 105.19 111.50 1n1i n GLY 30 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1n1i n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n1i s THR 31 N -2.20 2.75 -0.07 2.61 2.01 -1.24 -4.77 115.64 114.74 1n1i s THR 31 Ca 0.00 0.73 0.02 0.00 0.31 0.00 0.00 61.69 62.75 1n1i s THR 31 Cb 0.00 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 69.07 1n1i s THR 31 CO 0.00 0.15 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.34 1n1i s GLU 32 N -1.94 1.81 -0.01 4.92 2.02 -1.26 0.30 118.70 124.54 1n1i s GLU 32 Ca 0.51 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 55.09 1n1i s GLU 32 Cb -0.38 -1.50 -0.01 0.00 0.10 0.00 0.00 34.13 32.34 1n1i s GLU 32 CO 0.50 0.02 -0.11 -2.00 0.02 0.00 0.00 175.26 173.70 1n1i s GLU 33 N 0.69 0.91 0.21 1.61 2.12 -0.48 -4.98 118.70 118.79 1n1i s GLU 33 Ca -0.14 -0.38 0.10 0.00 0.36 0.00 0.00 54.97 54.91 1n1i s GLU 33 Cb -0.16 -0.87 -0.04 0.00 0.26 0.00 0.00 34.13 33.32 1n1i s GLU 33 CO 0.03 0.22 -0.13 1.67 -0.54 0.00 0.00 175.26 176.51 1n1i s TRP 34 N -0.19 2.51 0.01 5.30 1.48 -1.26 -0.35 118.94 126.44 1n1i s TRP 34 Ca 0.03 -0.27 -0.13 0.00 -1.06 0.00 0.00 56.10 54.68 1n1i s TRP 34 Cb -0.05 -1.20 0.02 0.00 -1.16 0.00 0.00 33.47 31.08 1n1i s TRP 34 CO -0.00 0.55 0.27 1.03 -4.06 0.00 0.00 176.95 174.73 1n1i s ARG 35 N -2.99 0.69 0.49 3.25 0.52 0.50 -4.96 118.95 116.44 1n1i s ARG 35 Ca 0.25 -0.39 -0.22 0.00 -0.52 0.00 0.00 55.73 54.86 1n1i s ARG 35 Cb -0.08 0.30 -0.07 0.00 0.52 0.00 0.00 34.95 35.62 1n1i s ARG 35 CO 0.14 -0.20 1.15 0.00 0.02 0.00 0.00 175.30 176.42 1n1i s LEU 37 N -3.28 2.89 0.19 0.00 1.43 -0.91 -4.71 118.68 114.28 1n1i s LEU 37 Ca 0.67 1.55 -0.33 0.00 -1.03 0.00 0.00 54.13 54.99 1n1i s LEU 37 Cb -0.27 -4.28 -0.14 0.00 0.03 0.00 0.00 46.19 41.53 1n1i s LEU 37 CO 0.32 -1.80 1.47 0.18 0.23 0.00 0.00 176.35 176.75 1n1i n LEU 38 N -3.35 2.98 0.00 1.79 4.77 -1.26 -1.40 117.00 120.53 1n1i n LEU 38 Ca 0.08 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 1n1i n LEU 38 Cb 0.54 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1n1i n LEU 38 CO 0.56 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1n1i n GLY 39 N 2.72 0.17 3.30 -0.72 0.00 -1.26 -5.07 105.19 104.33 1n1i n GLY 39 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1n1i n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n1i s PHE 40 N -2.00 1.93 0.03 1.61 0.40 -0.49 -1.81 117.98 117.64 1n1i s PHE 40 Ca 0.00 -0.40 0.08 0.00 -0.60 0.00 0.00 56.93 56.01 1n1i s PHE 40 Cb 0.00 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.42 1n1i s PHE 40 CO 0.00 0.19 -0.22 0.21 0.70 0.00 0.00 175.22 176.10 1n1i s LYS 41 N -1.69 2.00 -0.22 0.44 2.20 0.14 -4.68 119.74 117.92 1n1i s LYS 41 Ca 0.08 -1.00 -0.29 0.00 -0.36 0.00 0.00 55.97 54.40 1n1i s LYS 41 Cb -0.10 -2.10 -0.00 0.00 -1.51 0.00 0.00 37.83 34.12 1n1i s LYS 41 CO 0.04 0.54 1.23 -2.00 -0.36 0.00 0.00 175.35 174.80 1n1i s GLU 42 N -1.17 4.14 -0.19 4.03 2.12 -1.26 -1.19 118.70 125.18 1n1i s GLU 42 Ca 0.12 1.46 -0.04 0.00 0.36 0.00 0.00 54.97 56.88 1n1i s GLU 42 Cb -0.10 -3.78 0.06 0.00 0.26 0.00 0.00 34.13 30.57 1n1i s GLU 42 CO 0.03 -0.83 0.07 0.08 -0.54 0.00 0.00 175.26 174.07 1n1i s VAL 43 N 3.71 0.16 -1.05 3.70 1.01 0.16 -4.88 120.40 123.22 1n1i s VAL 43 Ca 0.53 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 1n1i s VAL 43 Cb -0.19 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1n1i s VAL 43 CO 0.16 -0.29 0.89 0.61 0.00 0.00 0.00 175.10 176.47 1n1i n GLY 44 N 5.18 -0.66 2.81 4.51 0.00 -1.26 -2.54 105.19 113.23 1n1i n GLY 44 Ca -0.08 0.29 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 1n1i n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1i n GLY 45 N -1.18 0.51 3.20 -0.02 0.00 -1.26 -4.96 105.19 101.48 1n1i n GLY 45 Ca -0.17 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 1n1i n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n1i s LYS 46 N -2.26 0.92 -0.44 1.61 1.02 -1.05 -4.91 119.74 114.63 1n1i s LYS 46 Ca 0.00 -1.16 -0.14 0.00 0.02 0.00 0.00 55.97 54.69 1n1i s LYS 46 Cb 0.00 -0.73 0.06 0.00 -0.52 0.00 0.00 37.83 36.64 1n1i s LYS 46 CO 0.00 0.13 0.33 0.00 -0.92 0.00 0.00 175.35 174.89 1n1i s VAL 48 N 1.59 4.26 0.52 0.00 -7.23 -0.33 -4.73 120.40 114.48 1n1i s VAL 48 Ca 0.04 -1.44 -0.23 0.00 -1.81 0.00 0.00 61.98 58.54 1n1i s VAL 48 Cb -0.22 -3.28 -0.06 0.00 0.56 0.00 0.00 36.38 33.38 1n1i s VAL 48 CO 0.06 -0.31 1.35 -2.84 -0.31 0.00 0.00 175.10 173.05 1n1i s PRO 49 N -3.67 3.31 0.22 4.82 0.02 -1.26 0.23 135.00 138.67 1n1i s PRO 49 Ca 0.32 2.22 -0.20 0.00 0.02 0.00 0.00 61.00 63.36 1n1i s PRO 49 Cb -0.08 -2.35 0.03 0.00 0.02 0.00 0.00 34.50 32.12 1n1i s PRO 49 CO 0.24 -1.05 0.63 0.00 -0.33 0.00 0.00 177.00 176.48 1n1i s ALA 50 N -1.31 -1.20 -0.41 -1.55 0.00 -0.75 -4.69 121.76 111.85 1n1i s ALA 50 Ca 0.69 -0.10 -0.15 0.00 0.00 0.00 0.00 51.96 52.40 1n1i s ALA 50 Cb -0.40 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.61 1n1i s ALA 50 CO 0.48 -0.90 0.31 -1.54 0.00 0.00 0.00 175.76 174.11 1n1i s SER 51 N -2.87 6.12 0.40 0.00 1.04 -1.26 -4.70 113.70 112.43 1n1i s SER 51 Ca 0.08 -0.85 -0.10 0.00 0.48 0.00 0.00 55.95 55.56 1n1i s SER 51 Cb -0.03 -2.17 -0.06 0.00 0.10 0.00 0.00 66.02 63.86 1n1i s SER 51 CO -0.01 -0.45 0.76 0.27 0.98 0.00 0.00 173.24 174.79 1n1i s ILE 52 N 1.73 4.80 -0.13 -1.02 -4.36 -1.26 -5.10 121.20 115.86 1n1i s ILE 52 Ca 0.06 0.58 -0.05 0.00 -0.26 0.00 0.00 60.65 60.97 1n1i s ILE 52 Cb -0.19 -3.73 0.06 0.00 1.25 0.00 0.00 42.46 39.85 1n1i s ILE 52 CO 0.10 -0.52 0.28 0.28 0.24 0.00 0.00 174.94 175.33 1n1i s THR 53 N -2.36 -0.31 0.50 8.37 -1.32 -1.26 -5.01 115.64 114.25 1n1i s THR 53 Ca 0.51 0.22 0.14 0.00 -1.21 0.00 0.00 61.69 61.35 1n1i s THR 53 Cb -0.10 -0.46 0.14 0.00 -1.51 0.00 0.00 72.50 70.57 1n1i s THR 53 CO 0.31 0.09 1.37 0.00 -2.21 0.00 0.00 174.62 174.19 1n1i n GLU 55 N -2.47 0.46 -4.66 0.00 1.02 -1.26 -3.44 120.64 110.30 1n1i n GLU 55 Ca -0.01 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.87 1n1i n GLU 55 Cb 0.61 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 30.36 1n1i n GLU 55 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1n1i s GLU 56 N -2.55 1.84 -1.59 3.49 2.12 0.28 -4.76 118.70 117.53 1n1i s GLU 56 Ca 0.29 -0.46 -0.17 0.00 0.36 0.00 0.00 54.97 54.99 1n1i s GLU 56 Cb 0.20 -1.50 0.15 0.00 0.26 0.00 0.00 34.13 33.25 1n1i s GLU 56 CO 0.46 0.05 0.67 -1.71 -0.54 0.00 0.00 175.26 174.19 1n1i n ASN 57 N 3.76 -3.03 -4.20 -1.70 5.15 -1.26 -1.04 115.26 112.94 1n1i n ASN 57 Ca -0.22 -0.87 -0.35 0.00 -0.60 0.00 0.00 54.58 52.53 1n1i n ASN 57 Cb 0.52 -2.51 -0.03 0.00 -0.53 0.00 0.00 39.78 37.23 1n1i n ASN 57 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1n1i n ASN 58 N -2.50 -2.98 0.00 1.20 5.15 -1.25 -0.46 115.26 114.42 1n1i n ASN 58 Ca 0.07 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 1n1i n ASN 58 Cb 0.49 -2.78 0.00 0.00 -0.53 0.00 0.00 39.78 36.96 1n1i n ASN 58 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n1i n GLY 59 N -1.48 0.14 0.49 8.20 0.00 -0.20 -1.17 105.19 111.16 1n1i n GLY 59 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1n1i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1i n GLY 60 N -0.36 0.54 3.82 -0.02 0.00 0.40 -4.81 105.19 104.76 1n1i n GLY 60 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1n1i n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1i n ALA 62 N -2.64 -0.59 0.01 0.00 0.00 -0.66 -4.76 120.51 111.87 1n1i n ALA 62 Ca 0.08 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1n1i n ALA 62 Cb 0.53 -1.99 0.55 0.00 0.00 0.00 0.00 19.45 18.55 1n1i n ALA 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1n1i h PRO 63 N 0.08 0.27 -0.11 0.00 0.11 -1.92 -1.06 132.00 129.37 1n1i h PRO 63 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n1i h PRO 63 Cb 1.36 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1n1i h PRO 63 CO 0.47 0.18 0.00 -0.85 -0.21 0.00 0.00 178.00 177.59 1n1i n GLU 64 N -4.47 1.60 -3.45 1.05 0.00 -1.26 -4.93 120.64 109.18 1n1i n GLU 64 Ca 0.06 -0.89 -0.19 0.00 0.00 0.00 0.00 57.16 56.14 1n1i n GLU 64 Cb 0.31 -1.40 -0.01 0.00 0.00 0.00 0.00 31.44 30.34 1n1i n GLU 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n1i s ALA 65 N -1.86 4.19 -0.18 -1.84 0.00 -0.40 -4.62 121.76 117.04 1n1i s ALA 65 Ca 0.33 -1.63 -0.08 0.00 0.00 0.00 0.00 51.96 50.58 1n1i s ALA 65 Cb 0.18 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1n1i s ALA 65 CO 0.27 -0.12 0.08 -2.00 0.00 0.00 0.00 175.76 174.00 1n1i s GLU 66 N -4.17 3.97 -0.12 0.00 2.12 -0.10 -4.87 118.70 115.54 1n1i s GLU 66 Ca 0.47 -0.29 -0.06 0.00 0.36 0.00 0.00 54.97 55.45 1n1i s GLU 66 Cb -0.08 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1n1i s GLU 66 CO 0.30 0.33 0.08 0.00 -0.54 0.00 0.00 175.26 175.43 1n1i s THR 68 N -0.67 0.00 -0.11 0.00 -4.23 -0.77 -5.00 115.64 104.87 1n1i s THR 68 Ca 0.12 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.38 1n1i s THR 68 Cb -0.12 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 70.99 1n1i s THR 68 CO 0.02 0.00 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.91 1n1i s MET 69 N -2.68 2.23 0.00 3.99 -1.94 -1.26 -1.51 119.30 118.12 1n1i s MET 69 Ca 0.22 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.63 1n1i s MET 69 Cb -0.03 -1.89 0.00 0.00 2.01 0.00 0.00 34.83 34.92 1n1i s MET 69 CO 0.15 -0.05 0.00 -0.40 -0.01 0.00 0.00 175.02 174.71 1n1i n ASP 70 N 4.17 0.00 -0.10 3.03 5.68 -1.09 -4.95 116.55 123.29 1n1i n ASP 70 Ca -0.19 -0.89 -0.03 0.00 -0.50 0.00 0.00 54.79 53.18 1n1i n ASP 70 Cb 0.51 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.69 1n1i n ASP 70 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1n1i h ASP 71 N 0.00 0.73 0.00 -1.12 2.03 -2.01 -1.97 116.42 114.08 1n1i h ASP 71 Ca 0.00 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 1n1i h ASP 71 Cb 0.00 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.31 1n1i h ASP 71 CO 0.00 0.75 0.00 0.29 -1.03 0.00 0.00 179.24 179.25 1n1i n LYS 72 N -4.26 0.69 -3.60 4.15 5.02 -1.26 -4.83 118.16 114.07 1n1i n LYS 72 Ca 0.03 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.05 1n1i n LYS 72 Cb 0.25 -1.03 0.01 0.00 -0.02 0.00 0.00 35.03 34.24 1n1i n LYS 72 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n1i n LYS 73 N -0.53 -4.55 -4.52 1.97 5.02 -0.74 -4.97 118.16 109.85 1n1i n LYS 73 Ca 0.01 0.59 -0.25 0.00 -2.02 0.00 0.00 58.31 56.64 1n1i n LYS 73 Cb 0.00 -5.40 -0.10 0.00 -0.02 0.00 0.00 35.03 29.51 1n1i n LYS 73 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1n1i s GLU 74 N -6.28 1.76 0.12 1.97 2.56 -1.26 -4.92 118.70 112.65 1n1i s GLU 74 Ca 0.52 -1.90 -0.27 0.00 0.00 0.00 0.00 54.97 53.33 1n1i s GLU 74 Cb -0.27 -1.64 -0.07 0.00 2.00 0.00 0.00 34.13 34.15 1n1i s GLU 74 CO 0.64 0.15 0.84 0.08 -0.56 0.00 0.00 175.26 176.42 1n1i s VAL 75 N -2.65 4.49 -0.05 3.70 1.01 -1.26 -2.67 120.40 122.97 1n1i s VAL 75 Ca 0.32 1.81 0.03 0.00 0.00 0.00 0.00 61.98 64.14 1n1i s VAL 75 Cb 0.02 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1n1i s VAL 75 CO 0.16 0.42 -0.13 -0.70 0.00 0.00 0.00 175.10 174.84 1n1i s GLU 76 N -0.51 1.58 -0.08 2.72 2.12 -0.57 -4.99 118.70 118.97 1n1i s GLU 76 Ca 0.40 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 55.30 1n1i s GLU 76 Cb -0.23 -1.35 -0.02 0.00 0.26 0.00 0.00 34.13 32.79 1n1i s GLU 76 CO 0.27 0.10 -0.11 0.00 -0.54 0.00 0.00 175.26 174.98 1n1i s LYS 78 N -0.39 0.71 -0.93 0.00 1.02 -0.81 -4.70 119.74 114.63 1n1i s LYS 78 Ca 0.05 -0.11 -0.18 0.00 0.02 0.00 0.00 55.97 55.76 1n1i s LYS 78 Cb -0.12 -0.72 0.15 0.00 -0.52 0.00 0.00 37.83 36.61 1n1i s LYS 78 CO 0.02 -0.04 1.09 0.00 -0.92 0.00 0.00 175.35 175.50 1n1i h THR 80 N 5.57 0.55 -3.15 0.00 1.35 -1.89 -3.43 112.91 111.91 1n1i h THR 80 Ca 0.16 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.47 1n1i h THR 80 Cb 1.02 0.77 0.09 0.00 -1.73 0.00 0.00 68.15 68.29 1n1i h THR 80 CO 1.06 0.00 0.79 1.17 -0.25 0.00 0.00 175.52 178.29 1n1i n LYS 81 N -3.99 2.50 -2.46 4.72 3.00 -1.26 -4.88 118.16 115.79 1n1i n LYS 81 Ca 0.05 0.89 -0.43 0.00 -0.00 0.00 0.00 58.31 58.82 1n1i n LYS 81 Cb 0.47 -2.63 -0.02 0.00 0.00 0.00 0.00 35.03 32.85 1n1i n LYS 81 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1n1i s GLU 82 N -0.60 3.63 0.00 1.64 2.56 -1.26 -2.97 118.70 121.69 1n1i s GLU 82 Ca 0.64 0.75 0.00 0.00 0.00 0.00 0.00 54.97 56.36 1n1i s GLU 82 Cb -0.54 -3.98 0.00 0.00 2.00 0.00 0.00 34.13 31.61 1n1i s GLU 82 CO 0.50 -1.50 0.00 0.41 -0.56 0.00 0.00 175.26 174.11 1n1i n GLY 83 N 4.99 1.36 3.83 -1.50 0.00 -1.26 -4.94 105.19 107.67 1n1i n GLY 83 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1n1i n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n1i s SER 84 N -0.98 6.01 0.27 1.61 1.04 -1.16 -4.38 113.70 116.11 1n1i s SER 84 Ca 0.00 0.30 0.12 0.00 0.48 0.00 0.00 55.95 56.85 1n1i s SER 84 Cb 0.00 -1.84 -0.05 0.00 0.10 0.00 0.00 66.02 64.23 1n1i s SER 84 CO 0.00 0.34 -0.20 -1.61 0.98 0.00 0.00 173.24 172.74 1n1i s GLU 85 N -1.40 1.67 -0.33 4.02 0.41 -1.26 -4.77 118.70 117.04 1n1i s GLU 85 Ca 0.20 -1.72 -0.26 0.00 -0.41 0.00 0.00 54.97 52.77 1n1i s GLU 85 Cb -0.12 -1.79 0.01 0.00 -1.78 0.00 0.00 34.13 30.45 1n1i s GLU 85 CO 0.10 0.34 0.92 -1.25 -0.49 0.00 0.00 175.26 174.88 1n1i s PRO 86 N -3.38 3.95 0.03 0.39 0.04 -1.26 0.09 135.00 134.85 1n1i s PRO 86 Ca 0.29 0.73 -0.08 0.00 0.04 0.00 0.00 61.00 61.98 1n1i s PRO 86 Cb -0.05 -3.76 -0.05 0.00 0.04 0.00 0.00 34.50 30.68 1n1i s PRO 86 CO 0.14 -0.84 0.31 -0.51 0.04 0.00 0.00 177.00 176.14 1n1i s LEU 87 N 3.34 4.37 -1.21 -3.56 1.02 0.12 -4.19 118.68 118.57 1n1i s LEU 87 Ca 0.38 0.63 -0.13 0.00 0.02 0.00 0.00 54.13 55.03 1n1i s LEU 87 Cb -0.13 -2.76 -0.01 0.00 0.02 0.00 0.00 46.19 43.31 1n1i s LEU 87 CO 0.15 0.23 0.72 0.49 0.02 0.00 0.00 176.35 177.96 1n1i n PHE 88 N 1.06 -1.89 -1.64 0.29 3.72 -1.26 -0.78 117.46 116.96 1n1i n PHE 88 Ca -0.10 0.59 -0.17 0.00 -0.05 0.00 0.00 57.45 57.72 1n1i n PHE 88 Cb 0.53 -3.68 -0.06 0.00 -0.94 0.00 0.00 39.48 35.32 1n1i n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1n1i n GLU 89 N -4.18 -1.47 -0.10 -1.08 1.02 -1.26 -1.44 120.64 112.13 1n1i n GLU 89 Ca -0.16 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1n1i n GLU 89 Cb 0.62 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.72 1n1i n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n1i n GLY 90 N -0.41 0.82 0.25 0.62 0.00 0.05 -4.25 105.19 102.26 1n1i n GLY 90 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1n1i n GLY 90 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n1i h VAL 91 N 0.00 0.59 -4.09 1.61 2.07 -0.25 -1.76 116.25 114.43 1n1i h VAL 91 Ca 0.00 -0.70 -0.44 0.00 0.82 0.00 0.00 66.70 66.37 1n1i h VAL 91 Cb 0.00 1.46 -0.27 0.00 -1.52 0.00 0.00 31.29 30.96 1n1i h VAL 91 CO 0.00 0.15 -0.80 -0.36 0.02 0.00 0.00 177.57 176.59 1n1i s PHE 92 N -4.07 1.15 -0.22 1.57 0.08 -0.94 -3.36 117.98 112.21 1n1i s PHE 92 Ca -0.02 -0.29 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 1n1i s PHE 92 Cb 0.12 -0.71 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 1n1i s PHE 92 CO 0.60 0.01 -0.08 0.00 -0.10 0.00 0.00 175.22 175.65 1n1i n SER 94 N 4.73 -2.94 -4.85 0.00 7.64 0.11 -4.87 113.62 113.44 1n1i n SER 94 Ca -0.18 0.22 -0.31 0.00 1.01 0.00 0.00 58.87 59.61 1n1i n SER 94 Cb 0.50 -1.05 -0.05 0.00 -1.01 0.00 0.00 64.21 62.59 1n1i n SER 94 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1n1i s SER 95 N -1.75 5.98 0.15 6.43 0.15 -1.26 -4.24 113.70 119.16 1n1i s SER 95 Ca 0.53 0.15 0.11 0.00 0.70 0.00 0.00 55.95 57.43 1n1i s SER 95 Cb -0.18 -1.75 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 1n1i s SER 95 CO 0.70 0.18 -0.26 -0.94 1.20 0.00 0.00 173.24 174.12 1n1i s SER 96 N -2.42 3.32 0.74 5.45 1.04 -1.26 -4.72 113.70 115.85 1n1i s SER 96 Ca 0.32 -0.78 -0.13 0.00 0.48 0.00 0.00 55.95 55.84 1n1i s SER 96 Cb -0.13 -0.23 0.05 0.00 0.10 0.00 0.00 66.02 65.81 1n1i s SER 96 CO 0.25 0.16 1.14 -0.94 0.98 0.00 0.00 173.24 174.83 1n1i s SER 97 N -2.23 4.36 0.00 7.02 1.04 -1.26 -5.00 113.70 117.62 1n1i s SER 97 Ca 0.16 2.10 0.09 0.00 0.48 0.00 0.00 55.95 58.78 1n1i s SER 97 Cb -0.09 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.54 1n1i s SER 97 CO 0.07 -2.14 0.78 0.61 0.98 0.00 0.00 173.24 173.54