#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7m s ALA 2 N 0.00 1.20 -0.40 3.17 0.00 -1.26 -4.11 121.76 120.35 1c7m s ALA 2 Ca 0.00 -1.64 -0.15 0.00 0.00 0.00 0.00 51.96 50.18 1c7m s ALA 2 Cb 0.00 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.56 1c7m s ALA 2 CO 0.00 -1.80 0.29 0.34 0.00 0.00 0.00 175.76 174.59 1c7m s ASP 3 N 1.51 6.08 0.10 0.00 -1.08 -1.26 -4.84 116.67 117.17 1c7m s ASP 3 Ca 0.12 -0.88 0.20 0.00 -0.52 0.00 0.00 52.55 51.47 1c7m s ASP 3 Cb -0.19 -2.15 0.82 0.00 -1.46 0.00 0.00 42.92 39.94 1c7m s ASP 3 CO -0.21 -0.43 1.62 -0.81 0.52 0.00 0.00 175.17 175.86 1c7m n PRO 4 N 5.15 0.08 -0.08 4.34 -0.04 -1.26 -1.54 135.00 141.64 1c7m n PRO 4 Ca -0.11 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.49 1c7m n PRO 4 Cb 0.47 -1.64 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 1c7m n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c7m h ALA 5 N 2.48 0.39 -0.13 0.55 0.00 -1.94 -2.88 119.26 117.73 1c7m h ALA 5 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1c7m h ALA 5 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1c7m h ALA 5 CO 0.00 0.44 -0.40 0.00 0.00 0.00 0.00 179.25 179.30 1c7m h ALA 6 N 0.67 1.08 0.00 0.00 0.00 -1.87 -3.28 119.26 115.87 1c7m h ALA 6 Ca 0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1c7m h ALA 6 Cb 0.92 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1c7m h ALA 6 CO 0.08 0.59 -0.12 0.78 0.00 0.00 0.00 179.25 180.58 1c7m h GLY 7 N 1.18 0.00 0.79 0.00 0.00 -1.36 -0.84 103.07 102.85 1c7m h GLY 7 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.39 1c7m h GLY 7 CO 0.06 0.00 0.22 0.83 0.00 0.00 0.00 176.54 177.66 1c7m h GLU 8 N 0.00 0.44 -0.18 4.80 5.08 -1.56 -0.73 114.58 122.43 1c7m h GLU 8 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1c7m h GLU 8 Cb 0.23 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1c7m h GLU 8 CO 0.02 0.29 -0.05 0.87 -1.00 0.00 0.00 179.01 179.13 1c7m h LYS 9 N 0.45 0.36 -0.68 2.33 1.57 -1.56 -2.84 116.57 116.21 1c7m h LYS 9 Ca 0.19 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1c7m h LYS 9 Cb 0.08 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1c7m h LYS 9 CO -0.12 0.63 0.43 0.28 -0.57 0.00 0.00 179.45 180.09 1c7m h VAL 10 N 0.06 1.10 -0.02 0.50 2.07 -1.23 -2.61 116.25 116.12 1c7m h VAL 10 Ca 0.04 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1c7m h VAL 10 Cb 0.50 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1c7m h VAL 10 CO 0.02 0.15 0.02 0.15 0.02 0.00 0.00 177.57 177.93 1c7m h PHE 11 N 0.84 0.00 -0.78 1.57 3.57 -1.16 -3.07 116.94 117.91 1c7m h PHE 11 Ca 0.27 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.96 1c7m h PHE 11 Cb 0.01 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1c7m h PHE 11 CO -0.04 0.00 0.54 0.78 -2.23 0.00 0.00 178.31 177.35 1c7m h GLY 12 N 0.00 0.44 1.36 2.40 0.00 -1.20 0.26 103.07 106.33 1c7m h GLY 12 Ca 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1c7m h GLY 12 CO -0.00 0.01 0.10 0.50 0.00 0.00 0.00 176.54 177.16 1c7m h LYS 13 N 0.23 0.80 -0.09 4.80 1.57 -1.67 -3.24 116.57 118.97 1c7m h LYS 13 Ca 0.39 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.84 1c7m h LYS 13 Cb 1.18 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1c7m h LYS 13 CO -0.09 0.73 -0.63 0.00 -0.57 0.00 0.00 179.45 178.90 1c7m h LYS 15 N 0.24 0.00 -0.07 0.00 1.57 -1.04 -0.03 116.57 117.24 1c7m h LYS 15 Ca -0.01 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1c7m h LYS 15 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1c7m h LYS 15 CO 0.10 0.00 0.06 0.00 -0.57 0.00 0.00 179.45 179.04 1c7m h ALA 16 N 1.57 1.99 0.00 3.86 0.00 -1.78 -3.35 119.26 121.55 1c7m h ALA 16 Ca 0.31 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.90 1c7m h ALA 16 Cb 1.35 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1c7m h ALA 16 CO -0.00 -0.09 -2.09 0.00 0.00 0.00 0.00 179.25 177.07 1c7m s HIS 18 N -2.36 3.42 -0.08 0.00 3.76 -0.15 -1.64 115.29 118.24 1c7m s HIS 18 Ca -0.27 0.36 0.04 0.00 -0.15 0.00 0.00 55.06 55.03 1c7m s HIS 18 Cb 0.10 -1.95 -0.08 0.00 1.11 0.00 0.00 32.58 31.76 1c7m s HIS 18 CO 0.36 0.53 -0.03 1.63 -0.85 0.00 0.00 174.74 176.38 1c7m n LYS 19 N 2.45 1.47 0.00 1.40 5.02 -1.26 -4.10 118.16 123.14 1c7m n LYS 19 Ca -0.19 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1c7m n LYS 19 Cb 0.54 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1c7m n LYS 19 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1c7m n LEU 20 N -2.53 0.00 -2.23 -0.35 4.77 -1.26 -4.92 117.00 110.48 1c7m n LEU 20 Ca -0.15 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.64 1c7m n LEU 20 Cb 0.71 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.72 1c7m n LEU 20 CO 0.13 0.00 1.54 0.47 -1.33 0.00 0.00 177.39 178.19 1c7m n ASP 21 N 1.88 6.01 0.00 -1.43 8.00 -1.26 -4.55 116.55 125.20 1c7m n ASP 21 Ca 0.00 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.58 1c7m n ASP 21 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 39.83 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c7m n GLY 22 N 1.40 1.29 3.89 0.44 0.00 -1.26 -5.00 105.19 105.94 1c7m n GLY 22 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 1c7m n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c7m s ASN 23 N -0.97 6.37 0.00 1.61 -0.87 -1.26 -4.88 114.94 114.94 1c7m s ASN 23 Ca 0.00 1.01 0.00 0.00 -1.57 0.00 0.00 52.86 52.30 1c7m s ASN 23 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 41.25 38.95 1c7m s ASN 23 CO 0.00 -0.50 0.00 0.47 -2.57 0.00 0.00 177.10 174.50 1c7m n ASP 24 N -1.86 0.00 0.00 -1.22 9.92 -1.26 -3.64 116.55 118.49 1c7m n ASP 24 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1c7m n ASP 24 Cb 0.55 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 1c7m n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c7m n GLY 25 N 2.87 1.78 0.04 0.44 0.00 -1.26 -3.94 105.19 105.13 1c7m n GLY 25 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 1c7m n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1c7m h VAL 26 N 0.00 0.00 -2.91 1.61 2.07 -1.90 -3.47 116.25 111.65 1c7m h VAL 26 Ca 0.00 -0.75 -0.64 0.00 0.82 0.00 0.00 66.70 66.13 1c7m h VAL 26 Cb 0.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 1c7m h VAL 26 CO 0.00 0.00 -0.49 -0.83 0.02 0.00 0.00 177.57 176.27 1c7m s GLY 27 N -3.45 2.10 0.83 2.17 0.00 -0.65 -5.01 107.32 103.31 1c7m s GLY 27 Ca -0.05 -0.67 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 1c7m s GLY 27 CO 0.07 -0.19 1.10 2.56 0.00 0.00 0.00 173.10 176.64 1c7m s PRO 28 N -0.49 1.78 0.03 2.90 0.04 -1.26 -4.19 135.00 133.80 1c7m s PRO 28 Ca 0.12 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 1c7m s PRO 28 Cb -0.12 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1c7m s PRO 28 CO 0.02 -1.98 1.88 -3.38 0.04 0.00 0.00 177.00 173.57 1c7m s HIS 29 N -2.85 1.54 -0.34 0.56 -3.43 -1.24 -4.56 115.29 104.97 1c7m s HIS 29 Ca 0.63 -0.26 0.04 0.00 -0.80 0.00 0.00 55.06 54.67 1c7m s HIS 29 Cb -0.19 -4.16 0.48 0.00 -1.43 0.00 0.00 32.58 27.29 1c7m s HIS 29 CO 0.57 -5.09 1.58 1.28 -2.00 0.00 0.00 174.74 171.07 1c7m n LEU 30 N 7.22 5.31 -4.57 5.38 4.77 -1.26 -4.89 117.00 128.97 1c7m n LEU 30 Ca 0.19 -2.79 -0.31 0.00 -0.03 0.00 0.00 56.01 53.07 1c7m n LEU 30 Cb 0.41 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1c7m n LEU 30 CO 0.66 0.80 1.45 0.54 -1.33 0.00 0.00 177.39 179.52 1c7m s ASN 31 N -0.57 5.54 -0.29 -1.43 2.20 -1.26 -2.01 114.94 117.11 1c7m s ASN 31 Ca 0.39 -1.18 -0.01 0.00 -0.94 0.00 0.00 52.86 51.12 1c7m s ASN 31 Cb 0.32 -2.57 -0.01 0.00 -2.00 0.00 0.00 41.25 36.99 1c7m s ASN 31 CO 0.08 -2.42 0.25 0.61 -2.94 0.00 0.00 177.10 172.68 1c7m n GLY 32 N 6.54 0.31 0.13 0.45 0.00 -1.21 -5.03 105.19 106.38 1c7m n GLY 32 Ca 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1c7m n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c7m h VAL 33 N -0.38 1.15 -2.37 1.61 3.04 -1.58 -3.39 116.25 114.32 1c7m h VAL 33 Ca -0.16 -2.37 -0.53 0.00 -1.01 0.00 0.00 66.70 62.63 1c7m h VAL 33 Cb 1.09 2.40 -0.04 0.00 -2.01 0.00 0.00 31.29 32.73 1c7m h VAL 33 CO 0.12 0.60 1.26 -0.69 -1.01 0.00 0.00 177.57 177.86 1c7m s VAL 34 N -3.10 3.51 0.00 1.51 1.01 -1.26 -2.02 120.40 120.05 1c7m s VAL 34 Ca 0.02 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1c7m s VAL 34 Cb 0.09 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1c7m s VAL 34 CO 0.75 -0.90 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1c7m n GLY 35 N 5.51 1.11 3.49 4.51 0.00 0.19 -4.92 105.19 115.08 1c7m n GLY 35 Ca 0.18 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 1c7m n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c7m s ARG 36 N -2.64 1.76 0.72 1.61 3.52 -0.86 -4.96 118.95 118.10 1c7m s ARG 36 Ca 0.00 -1.41 -0.16 0.00 -0.13 0.00 0.00 55.73 54.03 1c7m s ARG 36 Cb 0.00 -1.99 0.01 0.00 -1.56 0.00 0.00 34.95 31.41 1c7m s ARG 36 CO 0.00 0.42 0.98 -2.37 -0.81 0.00 0.00 175.30 173.52 1c7m n THR 37 N 0.18 2.91 -2.45 4.11 5.66 -1.26 -0.18 114.28 123.25 1c7m n THR 37 Ca -0.12 -0.38 -0.41 0.00 -3.05 0.00 0.00 64.05 60.09 1c7m n THR 37 Cb 0.56 -1.12 -0.04 0.00 -1.55 0.00 0.00 70.33 68.18 1c7m n THR 37 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1c7m s VAL 38 N -1.80 3.74 -1.29 1.08 1.01 -0.02 -2.50 120.40 120.62 1c7m s VAL 38 Ca 0.74 1.48 0.00 0.00 0.00 0.00 0.00 61.98 64.20 1c7m s VAL 38 Cb -0.35 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1c7m s VAL 38 CO 0.50 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.84 1c7m n ALA 39 N 2.46 -0.24 -1.66 5.51 0.00 -1.26 -3.82 120.51 121.51 1c7m n ALA 39 Ca 0.04 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.35 1c7m n ALA 39 Cb 0.45 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1c7m n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c7m n GLY 40 N -1.33 4.71 2.72 0.00 0.00 -1.04 -4.78 105.19 105.47 1c7m n GLY 40 Ca -0.13 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 1c7m n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c7m s VAL 41 N -2.70 0.63 -0.03 1.61 1.01 -1.26 -4.91 120.40 114.75 1c7m s VAL 41 Ca 0.57 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1c7m s VAL 41 Cb 0.37 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1c7m s VAL 41 CO -0.24 -0.44 1.45 -0.62 0.00 0.00 0.00 175.10 175.25 1c7m s ASP 42 N 1.77 6.81 0.00 3.32 2.15 -1.26 -2.98 116.67 126.48 1c7m s ASP 42 Ca 0.04 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.12 1c7m s ASP 42 Cb -0.17 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1c7m s ASP 42 CO -0.18 -0.78 0.00 0.61 -0.17 0.00 0.00 175.17 174.65 1c7m n GLY 43 N 3.77 3.32 3.71 2.66 0.00 -1.26 -5.10 105.19 112.30 1c7m n GLY 43 Ca 0.14 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 1c7m n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c7m s PHE 44 N 0.00 3.58 -0.30 1.61 2.19 -1.16 -5.06 117.98 118.85 1c7m s PHE 44 Ca 0.00 1.36 -0.24 0.00 0.33 0.00 0.00 56.93 58.38 1c7m s PHE 44 Cb 0.00 -2.90 -0.00 0.00 -1.31 0.00 0.00 43.02 38.81 1c7m s PHE 44 CO 0.00 0.03 0.80 1.21 1.83 0.00 0.00 175.22 179.09 1c7m s ASN 45 N 0.88 6.69 0.83 6.13 2.47 -1.26 -4.86 114.94 125.82 1c7m s ASN 45 Ca 0.41 0.72 -0.07 0.00 0.42 0.00 0.00 52.86 54.35 1c7m s ASN 45 Cb -0.18 -2.41 0.15 0.00 -1.45 0.00 0.00 41.25 37.35 1c7m s ASN 45 CO 0.20 -0.60 0.94 -1.22 -3.72 0.00 0.00 177.10 172.70 1c7m n TYR 46 N 6.19 -3.49 -1.94 0.43 4.02 -1.26 -5.11 117.16 116.00 1c7m n TYR 46 Ca 0.04 -1.20 -0.30 0.00 -0.01 0.00 0.00 57.90 56.43 1c7m n TYR 46 Cb 0.48 -0.71 0.03 0.00 -0.02 0.00 0.00 39.34 39.12 1c7m n TYR 46 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1c7m s SER 47 N -4.60 5.74 0.10 7.72 1.04 -1.26 -4.90 113.70 117.54 1c7m s SER 47 Ca 0.57 1.19 -0.24 0.00 0.48 0.00 0.00 55.95 57.96 1c7m s SER 47 Cb -0.02 -2.10 -0.12 0.00 0.10 0.00 0.00 66.02 63.87 1c7m s SER 47 CO 0.39 -1.14 1.71 0.44 0.98 0.00 0.00 173.24 175.62 1c7m h ASP 48 N -0.48 -0.17 0.57 7.02 3.32 -2.00 -0.54 116.42 124.13 1c7m h ASP 48 Ca -0.45 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 1c7m h ASP 48 Cb 1.23 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1c7m h ASP 48 CO 0.63 -0.09 -0.17 1.55 -1.72 0.00 0.00 179.24 179.44 1c7m h PRO 49 N -0.12 0.00 0.11 3.56 0.13 -1.86 -1.63 132.00 132.19 1c7m h PRO 49 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1c7m h PRO 49 Cb 0.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1c7m h PRO 49 CO -0.04 0.17 -0.05 1.98 -0.23 0.00 0.00 178.00 179.82 1c7m h MET 50 N 0.00 -0.15 -0.79 0.86 -1.53 -1.76 -2.48 114.93 109.08 1c7m h MET 50 Ca -0.00 0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.29 1c7m h MET 50 Cb 0.50 0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.54 1c7m h MET 50 CO 0.02 0.10 0.52 0.87 0.14 0.00 0.00 176.91 178.56 1c7m h LYS 51 N -0.39 1.01 0.00 0.39 1.57 -1.09 -3.01 116.57 115.05 1c7m h LYS 51 Ca -0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1c7m h LYS 51 Cb 0.32 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1c7m h LYS 51 CO 0.03 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.57 1c7m h ALA 52 N 1.31 1.00 0.62 3.86 0.00 -1.37 -3.29 119.26 121.39 1c7m h ALA 52 Ca 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1c7m h ALA 52 Cb -0.07 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1c7m h ALA 52 CO -0.08 0.00 -0.30 1.25 0.00 0.00 0.00 179.25 180.12 1c7m h HIS 53 N 0.00 -0.77 0.00 0.00 6.17 -1.30 -3.49 115.15 115.76 1c7m h HIS 53 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.06 1c7m h HIS 53 Cb 0.25 0.26 0.00 0.00 2.52 0.00 0.00 27.41 30.44 1c7m h HIS 53 CO 0.00 -0.48 0.00 0.41 0.71 0.00 0.00 177.93 178.57 1c7m n GLY 54 N -0.76 3.38 7.00 5.26 0.00 -1.24 -4.89 105.19 113.94 1c7m n GLY 54 Ca -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1c7m n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c7m n GLY 55 N 0.00 2.25 3.54 -0.02 0.00 -1.26 -0.84 105.19 108.86 1c7m n GLY 55 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 1c7m n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c7m s ASP 56 N -4.00 -0.47 -1.08 1.61 1.11 -1.26 -4.35 116.67 108.23 1c7m s ASP 56 Ca 0.00 0.42 -0.16 0.00 0.18 0.00 0.00 52.55 52.99 1c7m s ASP 56 Cb 0.00 0.41 0.15 0.00 1.07 0.00 0.00 42.92 44.55 1c7m s ASP 56 CO 0.00 -0.50 1.29 0.26 1.18 0.00 0.00 175.17 177.40 1c7m s TRP 57 N -1.57 3.32 0.69 4.23 0.23 0.74 -4.76 118.94 121.83 1c7m s TRP 57 Ca -0.04 -1.79 -0.11 0.00 -2.03 0.00 0.00 56.10 52.14 1c7m s TRP 57 Cb -0.00 -4.30 0.01 0.00 0.03 0.00 0.00 33.47 29.20 1c7m s TRP 57 CO 0.02 -1.44 1.07 -0.08 0.96 0.00 0.00 176.95 177.47 1c7m s THR 58 N 2.11 3.95 -0.76 2.01 -1.32 -1.26 -0.64 115.64 119.74 1c7m s THR 58 Ca 0.38 0.63 0.00 0.00 -1.21 0.00 0.00 61.69 61.50 1c7m s THR 58 Cb -0.04 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 1c7m s THR 58 CO -0.04 -0.83 0.19 -0.81 -2.21 0.00 0.00 174.62 170.92 1c7m n PRO 59 N -3.04 0.31 0.00 7.08 -0.04 -1.26 -2.32 135.00 135.72 1c7m n PRO 59 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1c7m n PRO 59 Cb 0.55 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1c7m n PRO 59 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1c7m n GLU 60 N 0.46 0.00 -0.28 0.54 0.00 -1.26 -4.57 120.64 115.53 1c7m n GLU 60 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.18 1c7m n GLU 60 Cb 0.10 -0.32 0.16 0.00 0.00 0.00 0.00 31.44 31.38 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1c7m h ALA 61 N 0.00 1.12 -0.49 4.31 0.00 -1.89 -1.62 119.26 120.70 1c7m h ALA 61 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1c7m h ALA 61 Cb 0.40 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1c7m h ALA 61 CO 0.00 0.06 0.32 -0.07 0.00 0.00 0.00 179.25 179.56 1c7m h LEU 62 N 0.74 0.48 -1.11 0.00 3.38 -1.78 -0.59 115.31 116.41 1c7m h LEU 62 Ca 0.38 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.28 1c7m h LEU 62 Cb 0.37 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1c7m h LEU 62 CO -0.25 0.33 -0.33 1.56 0.09 0.00 0.00 178.44 179.84 1c7m h GLN 63 N 0.55 0.00 0.04 1.13 4.20 -1.56 0.16 115.11 119.63 1c7m h GLN 63 Ca 0.20 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1c7m h GLN 63 Cb 0.09 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.88 1c7m h GLN 63 CO -0.05 0.33 -0.20 0.93 -0.67 0.00 0.00 178.83 179.16 1c7m h GLU 64 N 0.00 0.08 -0.28 1.46 5.08 -1.37 -3.37 114.58 116.18 1c7m h GLU 64 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1c7m h GLU 64 Cb 0.78 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1c7m h GLU 64 CO 0.04 1.06 0.19 0.35 -1.00 0.00 0.00 179.01 179.65 1c7m h PHE 65 N -0.84 0.36 0.00 4.33 3.57 -1.12 -2.20 116.94 121.04 1c7m h PHE 65 Ca -0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1c7m h PHE 65 Cb 1.16 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1c7m h PHE 65 CO 0.26 0.23 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.46 1c7m h LEU 66 N 0.38 0.00 0.16 0.59 3.38 -0.90 -0.75 115.31 118.17 1c7m h LEU 66 Ca 0.10 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.74 1c7m h LEU 66 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1c7m h LEU 66 CO -0.02 0.04 -1.63 0.74 0.09 0.00 0.00 178.44 177.66 1c7m h THR 67 N 0.00 1.06 -2.60 0.22 2.02 -1.69 0.22 112.91 112.13 1c7m h THR 67 Ca -0.00 -2.66 -0.60 0.00 0.77 0.00 0.00 66.41 63.93 1c7m h THR 67 Cb 0.12 2.78 -0.39 0.00 -1.74 0.00 0.00 68.15 68.92 1c7m h THR 67 CO 0.01 0.83 -0.86 0.20 0.37 0.00 0.00 175.52 176.07 1c7m s ASN 68 N -7.17 2.53 0.20 4.18 0.02 -0.83 -4.11 114.94 109.75 1c7m s ASN 68 Ca -0.12 -3.00 -0.11 0.00 -1.02 0.00 0.00 52.86 48.61 1c7m s ASN 68 Cb 0.06 -0.71 0.21 0.00 0.02 0.00 0.00 41.25 40.83 1c7m s ASN 68 CO 0.86 -0.19 1.79 -0.65 0.02 0.00 0.00 177.10 178.93 1c7m h PRO 69 N 5.96 0.56 0.00 -0.60 0.11 -1.38 -2.14 132.00 134.51 1c7m h PRO 69 Ca 0.18 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1c7m h PRO 69 Cb 0.90 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1c7m h PRO 69 CO 0.43 0.37 0.00 0.36 -0.21 0.00 0.00 178.00 178.94 1c7m n LYS 70 N -4.86 0.98 -0.08 1.05 2.85 -1.26 -1.53 118.16 115.31 1c7m n LYS 70 Ca 0.07 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.11 1c7m n LYS 70 Cb 0.18 -1.22 -0.12 0.00 -0.65 0.00 0.00 35.03 33.22 1c7m n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c7m n ALA 71 N -0.72 0.89 -0.03 0.58 0.00 -0.81 -3.50 120.51 116.92 1c7m n ALA 71 Ca 0.10 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 1c7m n ALA 71 Cb 0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 1c7m n ALA 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1c7m h VAL 72 N -0.65 1.38 -3.40 0.00 2.07 -1.61 -3.37 116.25 110.67 1c7m h VAL 72 Ca -0.42 -1.24 -0.69 0.00 0.82 0.00 0.00 66.70 65.17 1c7m h VAL 72 Cb 1.58 2.07 -0.37 0.00 -1.52 0.00 0.00 31.29 33.05 1c7m h VAL 72 CO -0.14 0.34 -0.31 -0.69 0.02 0.00 0.00 177.57 176.79 1c7m s VAL 73 N -4.23 3.78 -0.30 2.57 1.01 -0.59 -5.08 120.40 117.56 1c7m s VAL 73 Ca -0.15 -3.49 -0.28 0.00 0.00 0.00 0.00 61.98 58.05 1c7m s VAL 73 Cb 0.03 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1c7m s VAL 73 CO 0.71 -0.97 1.87 -1.59 0.00 0.00 0.00 175.10 175.12 1c7m s LYS 74 N -0.74 3.33 0.00 2.72 0.00 -1.23 -1.89 119.74 121.93 1c7m s LYS 74 Ca 0.22 1.56 0.00 0.00 0.00 0.00 0.00 55.97 57.75 1c7m s LYS 74 Cb -0.14 -4.22 0.00 0.00 0.00 0.00 0.00 37.83 33.47 1c7m s LYS 74 CO -0.08 -1.86 0.00 0.41 0.00 0.00 0.00 175.35 173.82 1c7m n GLY 75 N 5.45 0.98 3.77 0.59 0.00 -1.26 -4.78 105.19 109.93 1c7m n GLY 75 Ca 0.24 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1c7m n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1c7m s THR 76 N -2.56 3.69 -1.79 2.61 -1.32 -0.79 -4.56 115.64 110.92 1c7m s THR 76 Ca 0.00 1.53 0.10 0.00 -1.21 0.00 0.00 61.69 62.11 1c7m s THR 76 Cb 0.00 -3.90 0.25 0.00 -1.51 0.00 0.00 72.50 67.34 1c7m s THR 76 CO 0.00 0.23 1.11 0.29 -2.21 0.00 0.00 174.62 174.04 1c7m n LYS 77 N 0.72 0.25 -2.49 7.08 5.02 -1.26 -4.78 118.16 122.69 1c7m n LYS 77 Ca 0.01 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 1c7m n LYS 77 Cb 0.47 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1c7m n LYS 77 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1c7m s MET 78 N -2.21 3.34 -1.37 1.97 1.75 -1.26 -4.95 119.30 116.57 1c7m s MET 78 Ca 0.13 0.20 -0.15 0.00 -1.25 0.00 0.00 55.69 54.63 1c7m s MET 78 Cb 0.07 -4.10 0.01 0.00 2.84 0.00 0.00 34.83 33.65 1c7m s MET 78 CO 0.13 -1.92 2.20 0.00 -0.65 0.00 0.00 175.02 174.78 1c7m n ALA 79 N 9.18 5.27 -3.46 4.11 0.00 -1.26 -4.89 120.51 129.46 1c7m n ALA 79 Ca 0.09 -3.80 -0.21 0.00 0.00 0.00 0.00 53.44 49.52 1c7m n ALA 79 Cb 0.49 -3.55 -0.16 0.00 0.00 0.00 0.00 19.45 16.23 1c7m n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1c7m s PHE 80 N 3.43 0.94 0.12 0.00 5.36 -1.26 -5.08 117.98 121.50 1c7m s PHE 80 Ca 0.49 -0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 1c7m s PHE 80 Cb 0.14 -0.75 -0.15 0.00 -0.34 0.00 0.00 43.02 41.93 1c7m s PHE 80 CO -0.06 -0.19 1.27 0.00 -1.46 0.00 0.00 175.22 174.79 1c7m h ALA 81 N 6.94 0.33 0.00 11.12 0.00 -1.94 -3.42 119.26 132.30 1c7m h ALA 81 Ca -0.36 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1c7m h ALA 81 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1c7m h ALA 81 CO 0.48 1.00 0.00 0.41 0.00 0.00 0.00 179.25 181.14 1c7m n GLY 82 N 1.19 4.52 3.71 0.00 0.00 -1.26 -4.71 105.19 108.64 1c7m n GLY 82 Ca -0.05 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1c7m n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c7m s LEU 83 N 0.00 4.37 -0.16 0.99 1.43 0.76 -4.90 118.68 121.16 1c7m s LEU 83 Ca 0.00 1.88 -0.26 0.00 -1.03 0.00 0.00 54.13 54.71 1c7m s LEU 83 Cb 0.00 -3.57 -0.24 0.00 0.03 0.00 0.00 46.19 42.41 1c7m s LEU 83 CO 0.00 -0.39 0.61 1.55 0.23 0.00 0.00 176.35 178.34 1c7m h PRO 84 N 6.82 0.00 -6.55 1.29 0.13 -1.94 -3.38 132.00 128.38 1c7m h PRO 84 Ca -0.41 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.20 1c7m h PRO 84 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1c7m h PRO 84 CO 0.79 0.98 0.06 0.15 -0.23 0.00 0.00 178.00 179.75 1c7m s LYS 85 N -2.24 4.14 0.29 0.86 1.02 -1.26 -5.00 119.74 117.55 1c7m s LYS 85 Ca -0.21 0.75 0.01 0.00 0.02 0.00 0.00 55.97 56.54 1c7m s LYS 85 Cb -0.01 -2.80 0.54 0.00 -0.52 0.00 0.00 37.83 35.05 1c7m s LYS 85 CO 0.65 0.36 1.87 0.97 -0.92 0.00 0.00 175.35 178.28 1c7m h ILE 86 N 2.59 0.99 -0.56 2.17 -0.00 -1.98 -2.36 117.51 118.35 1c7m h ILE 86 Ca -0.48 -0.35 -0.01 0.00 -0.00 0.00 0.00 64.86 64.02 1c7m h ILE 86 Cb 1.19 -0.12 -0.03 0.00 -0.00 0.00 0.00 36.82 37.86 1c7m h ILE 86 CO 0.65 0.19 0.29 -0.33 -0.00 0.00 0.00 178.15 178.95 1c7m h GLU 87 N 1.02 0.77 0.30 2.19 5.08 -1.95 -1.85 114.58 120.14 1c7m h GLU 87 Ca 0.45 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1c7m h GLU 87 Cb 0.37 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1c7m h GLU 87 CO -0.21 0.58 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.79 1c7m h ASP 88 N 0.77 -0.34 -0.45 1.42 3.32 -1.79 0.21 116.42 119.56 1c7m h ASP 88 Ca 0.20 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1c7m h ASP 88 Cb 0.04 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1c7m h ASP 88 CO -0.03 -0.17 0.16 0.08 -1.72 0.00 0.00 179.24 177.56 1c7m h ARG 89 N -0.50 0.68 -0.44 3.56 -0.00 -1.65 -2.72 114.38 113.32 1c7m h ARG 89 Ca -0.04 -0.13 0.04 0.00 -0.00 0.00 0.00 59.98 59.85 1c7m h ARG 89 Cb 0.37 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.97 30.20 1c7m h ARG 89 CO 0.07 0.64 0.20 0.00 -0.00 0.00 0.00 179.97 180.87 1c7m h ALA 90 N 1.01 0.54 -0.11 0.08 0.00 -1.32 -0.24 119.26 119.21 1c7m h ALA 90 Ca 0.15 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1c7m h ALA 90 Cb 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1c7m h ALA 90 CO -0.01 -0.17 -0.08 -0.91 0.00 0.00 0.00 179.25 178.07 1c7m h ASN 91 N 0.40 -0.26 -0.85 0.00 2.35 -1.03 -1.93 115.58 114.25 1c7m h ASN 91 Ca 0.19 0.06 0.15 0.00 -0.55 0.00 0.00 56.30 56.15 1c7m h ASN 91 Cb 0.13 0.14 -0.09 0.00 0.05 0.00 0.00 38.32 38.55 1c7m h ASN 91 CO -0.16 -0.11 0.43 0.25 -1.65 0.00 0.00 177.43 176.19 1c7m h LEU 92 N -0.09 0.52 -0.97 1.61 7.12 -1.46 -2.52 115.31 119.52 1c7m h LEU 92 Ca 0.07 0.09 -0.09 0.00 0.13 0.00 0.00 57.88 58.08 1c7m h LEU 92 Cb 0.20 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1c7m h LEU 92 CO -0.17 0.21 -0.26 0.40 -0.13 0.00 0.00 178.44 178.49 1c7m h ILE 93 N 0.61 1.27 -0.51 4.05 2.04 -0.74 -0.06 117.51 124.17 1c7m h ILE 93 Ca 0.46 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1c7m h ILE 93 Cb 0.66 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1c7m h ILE 93 CO -0.37 0.40 0.33 0.00 0.00 0.00 0.00 178.15 178.51 1c7m h ALA 94 N 1.34 0.64 0.22 1.87 0.00 -1.26 -2.94 119.26 119.13 1c7m h ALA 94 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1c7m h ALA 94 Cb 0.67 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1c7m h ALA 94 CO 0.05 0.08 -0.40 -0.92 0.00 0.00 0.00 179.25 178.06 1c7m h TYR 95 N 0.68 -1.10 0.00 0.00 3.20 -1.19 -3.20 116.97 115.35 1c7m h TYR 95 Ca 0.19 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1c7m h TYR 95 Cb -0.07 0.45 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1c7m h TYR 95 CO -0.04 -0.52 -0.02 -0.07 -1.64 0.00 0.00 178.16 175.87 1c7m h LEU 96 N -0.70 0.00 0.03 2.82 3.38 -1.08 0.94 115.31 120.70 1c7m h LEU 96 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1c7m h LEU 96 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1c7m h LEU 96 CO -0.17 0.02 -0.01 -0.33 0.09 0.00 0.00 178.44 178.03 1c7m h GLU 97 N 0.00 -0.04 0.00 1.13 5.08 -1.56 -3.19 114.58 116.00 1c7m h GLU 97 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.14 1c7m h GLU 97 Cb 0.22 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1c7m h GLU 97 CO 0.00 0.30 -1.85 0.41 -1.00 0.00 0.00 179.01 176.87 1c7m n GLY 98 N -0.19 -0.55 3.48 -3.84 0.00 -1.06 -4.78 105.19 98.25 1c7m n GLY 98 Ca -0.08 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 1c7m n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1c7m s GLN 99 N -2.30 3.86 0.00 1.61 1.11 0.30 -5.10 119.66 119.15 1c7m s GLN 99 Ca -0.08 -2.10 0.00 0.00 0.01 0.00 0.00 55.36 53.19 1c7m s GLN 99 Cb 0.04 -5.09 0.00 0.00 -1.01 0.00 0.00 33.01 26.95 1c7m s GLN 99 CO 0.48 -1.86 0.00 0.00 0.01 0.00 0.00 175.29 173.92