#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 4.43 -0.38 -5.12 0.00 -1.26 -2.55 121.76 116.87 1c7m s ALA 2 Ca 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 51.96 48.10 1c7m s ALA 2 Cb 0.00 -3.13 0.09 0.00 0.00 0.00 0.00 23.12 20.08 1c7m s ALA 2 CO 0.00 -2.17 0.16 -0.51 0.00 0.00 0.00 175.76 173.24 1c7m s ASP 3 N 0.48 5.24 0.30 0.00 1.11 -1.26 -4.92 116.67 117.62 1c7m s ASP 3 Ca 0.28 -1.73 0.06 0.00 0.18 0.00 0.00 52.55 51.35 1c7m s ASP 3 Cb -0.09 -1.83 0.49 0.00 1.07 0.00 0.00 42.92 42.56 1c7m s ASP 3 CO -0.11 -0.47 1.74 1.55 1.18 0.00 0.00 175.17 179.06 1c7m h PRO 4 N 8.11 0.29 0.00 8.23 0.13 -1.86 -1.40 132.00 145.51 1c7m h PRO 4 Ca -0.17 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1c7m h PRO 4 Cb 1.06 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1c7m h PRO 4 CO 0.67 0.60 -0.14 0.00 -0.23 0.00 0.00 178.00 178.90 1c7m h ALA 5 N 1.40 1.33 0.14 -0.56 0.00 -1.95 -2.43 119.26 117.18 1c7m h ALA 5 Ca 0.03 -0.12 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 1c7m h ALA 5 Cb 0.72 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1c7m h ALA 5 CO 0.05 0.17 -1.30 0.00 0.00 0.00 0.00 179.25 178.18 1c7m h ALA 6 N 1.86 0.10 0.00 0.00 0.00 -1.87 -3.40 119.26 115.95 1c7m h ALA 6 Ca -0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 1c7m h ALA 6 Cb 0.35 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1c7m h ALA 6 CO 0.02 0.97 -0.05 0.78 0.00 0.00 0.00 179.25 180.97 1c7m h GLY 7 N 1.49 0.00 0.99 0.00 0.00 -0.94 -1.77 103.07 102.85 1c7m h GLY 7 Ca -0.16 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.19 1c7m h GLY 7 CO 0.20 0.00 0.58 1.05 0.00 0.00 0.00 176.54 178.38 1c7m h GLU 8 N 0.00 1.15 0.02 4.80 4.11 -1.65 0.02 114.58 123.03 1c7m h GLU 8 Ca -0.00 -0.07 -0.22 0.00 0.07 0.00 0.00 59.36 59.14 1c7m h GLU 8 Cb 0.12 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1c7m h GLU 8 CO 0.01 0.76 -1.02 1.57 0.07 0.00 0.00 179.01 180.40 1c7m h LYS 9 N 1.19 0.04 -0.58 1.06 2.10 -1.69 -2.95 116.57 115.74 1c7m h LYS 9 Ca 0.33 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.89 1c7m h LYS 9 Cb -0.12 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.21 1c7m h LYS 9 CO -0.08 1.02 0.31 0.28 -2.00 0.00 0.00 179.45 178.98 1c7m h VAL 10 N 0.01 1.20 0.00 0.07 2.07 -1.36 -2.58 116.25 115.66 1c7m h VAL 10 Ca -0.03 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1c7m h VAL 10 Cb 1.78 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1c7m h VAL 10 CO 0.14 0.21 0.22 0.15 0.02 0.00 0.00 177.57 178.31 1c7m h PHE 11 N 0.79 0.00 -0.85 1.57 3.57 -1.04 -2.80 116.94 118.18 1c7m h PHE 11 Ca 0.20 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.91 1c7m h PHE 11 Cb 0.06 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 1c7m h PHE 11 CO -0.01 0.00 0.57 0.78 -2.23 0.00 0.00 178.31 177.43 1c7m h GLY 12 N 0.00 0.60 1.80 2.40 0.00 -1.27 0.26 103.07 106.86 1c7m h GLY 12 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 1c7m h GLY 12 CO 0.00 0.00 -0.42 0.50 0.00 0.00 0.00 176.54 176.63 1c7m h LYS 13 N 0.29 0.22 0.12 4.80 1.57 -1.68 -3.34 116.57 118.56 1c7m h LYS 13 Ca 0.43 -0.11 -0.28 0.00 -1.87 0.00 0.00 60.65 58.82 1c7m h LYS 13 Cb 1.22 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.54 1c7m h LYS 13 CO -0.12 0.61 -1.23 0.00 -0.57 0.00 0.00 179.45 178.14 1c7m h LYS 15 N 0.17 0.00 -0.37 0.00 2.10 -1.10 -1.49 116.57 115.89 1c7m h LYS 15 Ca -0.16 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.48 1c7m h LYS 15 Cb 1.91 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.23 1c7m h LYS 15 CO 0.22 0.00 0.16 0.00 -2.00 0.00 0.00 179.45 177.83 1c7m h ALA 16 N 2.04 1.60 0.05 0.07 0.00 -1.83 -3.34 119.26 117.86 1c7m h ALA 16 Ca 0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 1c7m h ALA 16 Cb 0.28 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1c7m h ALA 16 CO 0.00 0.32 -1.81 0.00 0.00 0.00 0.00 179.25 177.76 1c7m s HIS 18 N -2.48 2.98 -0.20 0.00 3.76 -0.65 -0.65 115.29 118.06 1c7m s HIS 18 Ca -0.28 -0.28 -0.02 0.00 -0.15 0.00 0.00 55.06 54.33 1c7m s HIS 18 Cb 0.07 -1.89 -0.21 0.00 1.11 0.00 0.00 32.58 31.66 1c7m s HIS 18 CO 0.66 0.02 0.04 1.63 -0.85 0.00 0.00 174.74 176.24 1c7m n LYS 19 N 3.25 0.70 0.00 1.40 5.02 -0.99 -4.23 118.16 123.31 1c7m n LYS 19 Ca -0.18 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1c7m n LYS 19 Cb 0.53 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1c7m n LYS 19 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1c7m n LEU 20 N -3.37 0.00 -3.51 -0.35 -0.00 -1.26 -4.91 117.00 103.61 1c7m n LEU 20 Ca -0.40 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.21 1c7m n LEU 20 Cb 1.02 -0.45 -0.01 0.00 -0.00 0.00 0.00 43.42 43.98 1c7m n LEU 20 CO 0.34 0.00 2.48 0.47 -0.00 0.00 0.00 177.39 180.68 1c7m n ASP 21 N 0.00 7.71 0.00 1.45 8.00 -1.26 -4.31 116.55 128.14 1c7m n ASP 21 Ca 0.00 -3.06 0.00 0.00 0.71 0.00 0.00 54.79 52.44 1c7m n ASP 21 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 39.69 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 2.13 1.14 3.96 0.44 0.00 -1.26 -4.93 105.19 106.67 1c7m n GLY 22 Ca 0.62 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 5.85 0.00 1.61 0.01 -1.26 -4.87 114.94 116.28 1c7m s ASN 23 Ca 0.00 0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 1c7m s ASN 23 Cb 0.00 -1.47 0.00 0.00 0.41 0.00 0.00 41.25 40.19 1c7m s ASN 23 CO 0.00 -0.65 0.00 0.47 -1.51 0.00 0.00 177.10 175.41 1c7m n ASP 24 N -2.00 0.00 0.00 -1.22 9.92 -1.26 -4.24 116.55 117.75 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 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 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 2.51 0.05 0.07 0.44 0.00 -1.26 -2.35 105.19 104.65 1c7m n GLY 25 Ca 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 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 1.35 -2.87 1.61 2.07 -1.14 -3.48 116.25 113.79 1c7m h VAL 26 Ca 0.00 -2.09 -0.46 0.00 0.82 0.00 0.00 66.70 64.98 1c7m h VAL 26 Cb 0.00 2.63 0.10 0.00 -1.52 0.00 0.00 31.29 32.49 1c7m h VAL 26 CO 0.00 0.46 0.19 -0.83 0.02 0.00 0.00 177.57 177.41 1c7m s GLY 27 N -4.22 1.76 0.95 2.17 0.00 -0.70 -5.02 107.32 102.25 1c7m s GLY 27 Ca -0.18 -1.45 -0.12 0.00 0.00 0.00 0.00 44.72 42.98 1c7m s GLY 27 CO 0.56 -0.88 1.09 2.56 0.00 0.00 0.00 173.10 176.43 1c7m s PRO 28 N -5.30 0.83 -0.08 2.90 0.04 -1.26 -4.68 135.00 127.45 1c7m s PRO 28 Ca 0.66 0.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 1c7m s PRO 28 Cb -0.06 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1c7m s PRO 28 CO 0.46 -2.53 1.45 -3.38 0.04 0.00 0.00 177.00 173.04 1c7m s HIS 29 N -2.87 2.52 -0.95 0.56 -3.43 -1.26 -4.41 115.29 105.45 1c7m s HIS 29 Ca 0.65 0.65 0.12 0.00 -0.80 0.00 0.00 55.06 55.67 1c7m s HIS 29 Cb -0.19 -3.70 0.54 0.00 -1.43 0.00 0.00 32.58 27.79 1c7m s HIS 29 CO 0.58 -2.72 1.37 1.28 -2.00 0.00 0.00 174.74 173.25 1c7m n LEU 30 N 6.45 3.84 -4.57 5.38 4.77 -1.26 -4.83 117.00 126.78 1c7m n LEU 30 Ca 0.15 -1.94 -0.38 0.00 -0.03 0.00 0.00 56.01 53.80 1c7m n LEU 30 Cb 0.44 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1c7m n LEU 30 CO 0.59 0.57 1.91 0.54 -1.33 0.00 0.00 177.39 179.67 1c7m s ASN 31 N -0.68 4.85 -0.67 -1.43 4.22 -1.26 -2.24 114.94 117.73 1c7m s ASN 31 Ca 0.37 1.22 -0.03 0.00 -2.14 0.00 0.00 52.86 52.28 1c7m s ASN 31 Cb 0.26 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 40.28 1c7m s ASN 31 CO 0.15 -2.54 0.38 0.61 -2.04 0.00 0.00 177.10 173.66 1c7m n GLY 32 N 5.88 0.19 0.24 0.45 0.00 -1.21 -4.99 105.19 105.75 1c7m n GLY 32 Ca 0.33 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.87 0.58 -2.83 1.61 3.04 -1.64 -3.39 116.25 112.74 1c7m h VAL 33 Ca -0.25 -0.92 -0.57 0.00 -1.01 0.00 0.00 66.70 63.95 1c7m h VAL 33 Cb 1.17 1.61 -0.04 0.00 -2.01 0.00 0.00 31.29 32.02 1c7m h VAL 33 CO 0.26 0.19 1.20 -0.69 -1.01 0.00 0.00 177.57 177.52 1c7m s VAL 34 N -3.86 3.63 0.00 1.51 1.01 -1.26 -1.91 120.40 119.52 1c7m s VAL 34 Ca -0.01 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1c7m s VAL 34 Cb 0.11 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1c7m s VAL 34 CO 0.62 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1c7m n GLY 35 N 5.32 0.58 3.24 4.51 0.00 0.48 -4.96 105.19 114.36 1c7m n GLY 35 Ca 0.20 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.08 1.15 0.38 1.61 3.52 -0.80 -4.85 118.95 116.88 1c7m s ARG 36 Ca 0.00 -1.00 -0.27 0.00 -0.13 0.00 0.00 55.73 54.32 1c7m s ARG 36 Cb 0.00 -1.30 -0.11 0.00 -1.56 0.00 0.00 34.95 31.98 1c7m s ARG 36 CO 0.00 0.31 1.41 2.41 -0.81 0.00 0.00 175.30 178.62 1c7m n THR 37 N 1.49 2.14 -2.26 4.11 -1.04 -1.25 -0.83 114.28 116.64 1c7m n THR 37 Ca -0.19 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 60.90 1c7m n THR 37 Cb 0.54 -1.81 -0.02 0.00 -1.82 0.00 0.00 70.33 67.21 1c7m n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1c7m s VAL 38 N -1.13 3.96 -1.07 12.58 1.01 -1.25 -1.16 120.40 133.34 1c7m s VAL 38 Ca 0.55 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1c7m s VAL 38 Cb -0.50 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1c7m s VAL 38 CO 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.64 1c7m n ALA 39 N 6.51 -0.15 -2.44 5.51 0.00 -1.26 -3.61 120.51 125.07 1c7m n ALA 39 Ca 0.15 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1c7m n ALA 39 Cb 0.44 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.32 5.11 2.60 0.00 0.00 -0.31 -4.82 105.19 106.46 1c7m n GLY 40 Ca -0.10 -2.27 -0.26 0.00 0.00 0.00 0.00 46.02 43.39 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 -1.20 -0.10 -0.54 1.61 1.01 -1.26 -4.77 120.40 115.15 1c7m s VAL 41 Ca 0.41 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 1c7m s VAL 41 Cb 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1c7m s VAL 41 CO -0.01 -0.39 1.57 -0.62 0.00 0.00 0.00 175.10 175.65 1c7m s ASP 42 N 2.14 5.90 0.00 3.32 2.15 -1.26 -2.82 116.67 126.10 1c7m s ASP 42 Ca 0.04 0.44 0.00 0.00 0.43 0.00 0.00 52.55 53.46 1c7m s ASP 42 Cb -0.16 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1c7m s ASP 42 CO -0.16 -1.86 0.00 0.61 -0.17 0.00 0.00 175.17 173.58 1c7m n GLY 43 N 5.38 3.87 3.70 2.66 0.00 -1.26 -5.13 105.19 114.41 1c7m n GLY 43 Ca 0.16 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 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 3.52 -0.49 1.61 5.36 -1.13 -5.05 117.98 121.80 1c7m s PHE 44 Ca 0.00 1.16 -0.27 0.00 -0.96 0.00 0.00 56.93 56.86 1c7m s PHE 44 Cb 0.00 -2.80 0.03 0.00 -0.34 0.00 0.00 43.02 39.90 1c7m s PHE 44 CO 0.00 0.01 1.06 1.21 -1.46 0.00 0.00 175.22 176.04 1c7m s ASN 45 N 0.89 6.54 0.60 6.13 2.47 -1.26 -4.87 114.94 125.44 1c7m s ASN 45 Ca 0.35 0.25 -0.05 0.00 0.42 0.00 0.00 52.86 53.83 1c7m s ASN 45 Cb -0.17 -2.51 0.02 0.00 -1.45 0.00 0.00 41.25 37.14 1c7m s ASN 45 CO 0.15 -1.22 0.89 -0.31 -3.72 0.00 0.00 177.10 172.90 1c7m s TYR 46 N 4.26 3.12 0.66 0.43 2.02 -1.26 -5.10 117.35 121.49 1c7m s TYR 46 Ca 0.43 0.48 -0.16 0.00 -0.37 0.00 0.00 57.07 57.45 1c7m s TYR 46 Cb -0.08 -2.81 0.00 0.00 -0.40 0.00 0.00 41.96 38.67 1c7m s TYR 46 CO 0.28 -0.93 1.16 -1.54 -1.57 0.00 0.00 175.55 172.95 1c7m s SER 47 N -4.36 4.86 0.17 2.29 1.04 -1.26 -4.89 113.70 111.56 1c7m s SER 47 Ca 0.55 2.19 -0.14 0.00 0.48 0.00 0.00 55.95 59.03 1c7m s SER 47 Cb -0.10 -2.57 0.12 0.00 0.10 0.00 0.00 66.02 63.56 1c7m s SER 47 CO 0.44 -1.80 1.75 0.44 0.98 0.00 0.00 173.24 175.04 1c7m h ASP 48 N 0.14 0.17 0.37 7.02 3.32 -1.99 -1.84 116.42 123.61 1c7m h ASP 48 Ca -0.48 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 1c7m h ASP 48 Cb 1.27 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1c7m h ASP 48 CO 0.53 0.13 -0.21 1.55 -1.72 0.00 0.00 179.24 179.52 1c7m h PRO 49 N 0.33 0.00 -0.00 3.56 0.13 -1.85 -0.14 132.00 134.02 1c7m h PRO 49 Ca 0.21 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1c7m h PRO 49 Cb 0.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.33 1c7m h PRO 49 CO -0.21 0.21 0.00 1.98 -0.23 0.00 0.00 178.00 179.75 1c7m h MET 50 N 0.00 0.01 -0.43 0.86 4.05 -1.86 -1.84 114.93 115.72 1c7m h MET 50 Ca -0.00 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1c7m h MET 50 Cb 0.45 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.22 1c7m h MET 50 CO 0.03 0.29 0.26 0.87 0.23 0.00 0.00 176.91 178.59 1c7m h LYS 51 N -0.27 0.51 0.00 0.39 1.57 -1.28 -3.05 116.57 114.43 1c7m h LYS 51 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1c7m h LYS 51 Cb 0.29 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1c7m h LYS 51 CO 0.00 0.33 -0.12 0.00 -0.57 0.00 0.00 179.45 179.10 1c7m h ALA 52 N 1.19 1.20 0.14 3.86 0.00 -1.10 -3.28 119.26 121.27 1c7m h ALA 52 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1c7m h ALA 52 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1c7m h ALA 52 CO -0.07 0.15 -0.07 1.25 0.00 0.00 0.00 179.25 180.51 1c7m h HIS 53 N 0.00 -0.18 -0.70 0.00 -0.00 -1.27 -3.50 115.15 109.50 1c7m h HIS 53 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1c7m h HIS 53 Cb 0.39 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1c7m h HIS 53 CO 0.00 -0.11 0.00 0.41 -0.00 0.00 0.00 177.93 178.23 1c7m n GLY 54 N -0.31 0.33 6.74 5.26 0.00 -1.16 -4.96 105.19 111.09 1c7m n GLY 54 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 1.72 3.45 -0.02 0.00 -1.26 -3.82 105.19 105.26 1c7m n GLY 55 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.54 -0.97 1.61 1.01 -1.26 -3.90 116.67 108.62 1c7m s ASP 56 Ca 0.00 0.56 -0.21 0.00 0.71 0.00 0.00 52.55 53.61 1c7m s ASP 56 Cb 0.00 0.48 0.08 0.00 1.01 0.00 0.00 42.92 44.50 1c7m s ASP 56 CO 0.00 -0.57 1.30 0.26 0.21 0.00 0.00 175.17 176.37 1c7m s TRP 57 N -1.23 2.78 0.66 4.23 0.23 -0.01 -4.77 118.94 120.83 1c7m s TRP 57 Ca -0.12 -1.05 -0.14 0.00 -2.03 0.00 0.00 56.10 52.76 1c7m s TRP 57 Cb -0.01 -4.51 -0.00 0.00 0.03 0.00 0.00 33.47 28.97 1c7m s TRP 57 CO 0.09 -1.75 1.08 0.95 0.96 0.00 0.00 176.95 178.27 1c7m s THR 58 N 4.01 3.64 -0.57 2.01 -4.23 -1.26 -0.38 115.64 118.86 1c7m s THR 58 Ca 0.40 0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 61.54 1c7m s THR 58 Cb -0.02 -3.24 -0.10 0.00 1.34 0.00 0.00 72.50 70.47 1c7m s THR 58 CO -0.09 -0.56 2.25 -0.81 -0.54 0.00 0.00 174.62 174.88 1c7m n PRO 59 N -2.60 1.79 0.08 3.99 -0.04 -1.26 -1.66 135.00 135.31 1c7m n PRO 59 Ca 0.09 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1c7m n PRO 59 Cb 0.53 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 3.56 0.00 -0.21 0.54 2.13 -1.26 -4.75 120.64 120.64 1c7m n GLU 60 Ca 0.38 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.19 1c7m n GLU 60 Cb 0.31 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.12 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1c7m h ALA 61 N 0.00 0.82 -0.56 4.31 0.00 -1.92 -1.65 119.26 120.27 1c7m h ALA 61 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1c7m h ALA 61 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1c7m h ALA 61 CO 0.00 -0.10 0.37 -0.07 0.00 0.00 0.00 179.25 179.46 1c7m h LEU 62 N 0.52 0.63 -0.38 0.00 3.38 -1.63 -0.17 115.31 117.67 1c7m h LEU 62 Ca 0.30 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1c7m h LEU 62 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1c7m h LEU 62 CO -0.25 0.45 0.16 1.56 0.09 0.00 0.00 178.44 180.45 1c7m h GLN 63 N 0.74 0.56 -0.15 1.13 4.20 -1.67 0.26 115.11 120.17 1c7m h GLN 63 Ca 0.21 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1c7m h GLN 63 Cb -0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1c7m h GLN 63 CO -0.05 0.52 0.03 0.93 -0.67 0.00 0.00 178.83 179.59 1c7m h GLU 64 N 0.46 0.24 -0.13 1.46 5.08 -1.31 -2.56 114.58 117.82 1c7m h GLU 64 Ca 0.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1c7m h GLU 64 Cb 0.17 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1c7m h GLU 64 CO -0.01 0.41 0.05 0.35 -1.00 0.00 0.00 179.01 178.80 1c7m h PHE 65 N 0.03 0.20 0.00 4.33 3.57 -1.04 -1.55 116.94 122.48 1c7m h PHE 65 Ca 0.04 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1c7m h PHE 65 Cb 0.28 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1c7m h PHE 65 CO 0.01 0.30 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.24 1c7m h LEU 66 N 0.05 0.00 -0.26 0.59 3.38 -0.61 -1.22 115.31 117.24 1c7m h LEU 66 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1c7m h LEU 66 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1c7m h LEU 66 CO -0.00 0.09 -0.24 0.74 0.09 0.00 0.00 178.44 179.12 1c7m h THR 67 N 0.00 1.31 -1.77 0.22 2.02 -1.31 0.34 112.91 113.72 1c7m h THR 67 Ca -0.00 -1.39 -0.34 0.00 0.77 0.00 0.00 66.41 65.44 1c7m h THR 67 Cb 0.23 1.63 -0.29 0.00 -1.74 0.00 0.00 68.15 67.99 1c7m h THR 67 CO 0.01 0.44 -0.69 0.20 0.37 0.00 0.00 175.52 175.85 1c7m s ASN 68 N -6.42 0.49 0.21 4.18 0.01 -0.60 -4.10 114.94 108.71 1c7m s ASN 68 Ca -0.13 -1.84 -0.09 0.00 -0.71 0.00 0.00 52.86 50.09 1c7m s ASN 68 Cb 0.08 0.74 0.23 0.00 0.41 0.00 0.00 41.25 42.71 1c7m s ASN 68 CO 0.81 -0.19 1.81 -0.65 -1.51 0.00 0.00 177.10 177.37 1c7m h PRO 69 N 6.39 0.69 0.00 -0.60 0.11 -1.46 -2.10 132.00 135.03 1c7m h PRO 69 Ca 0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1c7m h PRO 69 Cb 1.05 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1c7m h PRO 69 CO 0.19 0.46 0.00 0.87 -0.21 0.00 0.00 178.00 179.30 1c7m h LYS 70 N 0.71 0.00 -0.24 1.05 1.57 -1.88 -0.83 116.57 116.96 1c7m h LYS 70 Ca 0.29 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.94 1c7m h LYS 70 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1c7m h LYS 70 CO -0.17 0.00 -0.38 0.00 -0.57 0.00 0.00 179.45 178.33 1c7m h ALA 71 N 2.09 0.36 0.00 3.86 0.00 -1.75 -3.24 119.26 120.58 1c7m h ALA 71 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1c7m h ALA 71 Cb 0.37 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1c7m h ALA 71 CO 0.00 0.45 -0.10 0.28 0.00 0.00 0.00 179.25 179.88 1c7m h VAL 72 N 0.39 0.87 -3.59 0.00 2.07 -1.54 -3.42 116.25 111.03 1c7m h VAL 72 Ca 0.02 -1.68 -0.75 0.00 0.82 0.00 0.00 66.70 65.11 1c7m h VAL 72 Cb 0.98 1.67 -0.29 0.00 -1.52 0.00 0.00 31.29 32.13 1c7m h VAL 72 CO 0.09 0.29 -0.13 -0.69 0.02 0.00 0.00 177.57 177.15 1c7m s VAL 73 N -1.94 4.88 -0.46 2.57 1.01 -0.32 -5.05 120.40 121.09 1c7m s VAL 73 Ca -0.11 -2.37 -0.28 0.00 0.00 0.00 0.00 61.98 59.22 1c7m s VAL 73 Cb -0.01 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1c7m s VAL 73 CO 0.36 -0.93 1.79 -1.59 0.00 0.00 0.00 175.10 174.72 1c7m s LYS 74 N 0.46 3.05 0.00 2.72 0.00 -1.22 -2.55 119.74 122.20 1c7m s LYS 74 Ca 0.14 1.03 0.00 0.00 0.00 0.00 0.00 55.97 57.14 1c7m s LYS 74 Cb -0.17 -4.26 0.00 0.00 0.00 0.00 0.00 37.83 33.39 1c7m s LYS 74 CO -0.05 -2.20 0.00 0.41 0.00 0.00 0.00 175.35 173.51 1c7m n GLY 75 N 5.50 0.67 3.77 0.59 0.00 -1.26 -4.76 105.19 109.72 1c7m n GLY 75 Ca 0.21 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.63 3.49 -2.00 2.61 -1.32 -1.06 -4.72 115.64 110.02 1c7m s THR 76 Ca 0.00 1.21 0.05 0.00 -1.21 0.00 0.00 61.69 61.74 1c7m s THR 76 Cb 0.00 -3.66 0.15 0.00 -1.51 0.00 0.00 72.50 67.48 1c7m s THR 76 CO 0.00 0.07 0.84 0.29 -2.21 0.00 0.00 174.62 173.61 1c7m n LYS 77 N 0.09 0.58 -2.61 7.08 4.01 -1.26 -4.69 118.16 121.36 1c7m n LYS 77 Ca 0.04 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.43 1c7m n LYS 77 Cb 0.48 -1.14 -0.03 0.00 -0.51 0.00 0.00 35.03 33.83 1c7m n LYS 77 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1c7m s MET 78 N -2.00 3.27 -1.36 1.97 1.75 -1.26 -4.96 119.30 116.71 1c7m s MET 78 Ca 0.08 -0.18 -0.16 0.00 -1.25 0.00 0.00 55.69 54.18 1c7m s MET 78 Cb 0.04 -4.13 0.03 0.00 2.84 0.00 0.00 34.83 33.60 1c7m s MET 78 CO 0.06 -1.95 2.09 0.00 -0.65 0.00 0.00 175.02 174.57 1c7m n ALA 79 N 8.84 4.82 -3.51 4.11 0.00 -1.26 -4.89 120.51 128.62 1c7m n ALA 79 Ca 0.04 -3.80 -0.17 0.00 0.00 0.00 0.00 53.44 49.51 1c7m n ALA 79 Cb 0.49 -3.56 -0.16 0.00 0.00 0.00 0.00 19.45 16.22 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 3.79 0.38 0.06 0.00 5.36 -1.26 -5.08 117.98 121.22 1c7m s PHE 80 Ca 0.50 -0.04 -0.11 0.00 -0.96 0.00 0.00 56.93 56.31 1c7m s PHE 80 Cb 0.11 -0.40 -0.31 0.00 -0.34 0.00 0.00 43.02 42.08 1c7m s PHE 80 CO -0.03 -0.11 1.08 0.00 -1.46 0.00 0.00 175.22 174.70 1c7m h ALA 81 N 6.99 -0.02 0.00 11.12 0.00 -1.94 -3.41 119.26 131.99 1c7m h ALA 81 Ca -0.39 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.67 1c7m h ALA 81 Cb 1.15 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1c7m h ALA 81 CO 0.48 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.94 1c7m n GLY 82 N 1.55 4.65 3.69 0.00 0.00 -1.26 -4.52 105.19 109.31 1c7m n GLY 82 Ca -0.13 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 4.23 -0.08 0.99 1.43 0.12 -4.95 118.68 120.42 1c7m s LEU 83 Ca 0.00 1.25 -0.19 0.00 -1.03 0.00 0.00 54.13 54.17 1c7m s LEU 83 Cb 0.00 -3.26 -0.29 0.00 0.03 0.00 0.00 46.19 42.67 1c7m s LEU 83 CO 0.00 -0.32 0.70 1.55 0.23 0.00 0.00 176.35 178.51 1c7m h PRO 84 N 7.13 0.26 -6.50 1.29 0.13 -1.91 -3.38 132.00 129.02 1c7m h PRO 84 Ca -0.33 -0.44 -0.53 0.00 -0.87 0.00 0.00 66.00 63.82 1c7m h PRO 84 Cb 1.16 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1c7m h PRO 84 CO 0.81 1.21 -0.02 0.15 -0.23 0.00 0.00 178.00 179.92 1c7m s LYS 85 N -2.45 3.96 0.36 0.86 -0.14 -1.26 -5.02 119.74 116.05 1c7m s LYS 85 Ca -0.17 0.51 0.06 0.00 -1.36 0.00 0.00 55.97 55.01 1c7m s LYS 85 Cb 0.03 -2.70 0.74 0.00 -1.68 0.00 0.00 37.83 34.22 1c7m s LYS 85 CO 0.79 0.33 1.94 0.97 -0.76 0.00 0.00 175.35 178.62 1c7m h ILE 86 N 2.30 1.00 0.00 2.17 6.09 -2.00 -2.10 117.51 124.96 1c7m h ILE 86 Ca -0.48 -0.26 -0.03 0.00 -1.37 0.00 0.00 64.86 62.73 1c7m h ILE 86 Cb 1.18 0.17 -0.00 0.00 0.47 0.00 0.00 36.82 38.64 1c7m h ILE 86 CO 0.67 0.14 -0.13 1.05 -3.07 0.00 0.00 178.15 176.80 1c7m h GLU 87 N 0.76 0.00 0.82 2.19 4.11 -1.95 -1.17 114.58 119.33 1c7m h GLU 87 Ca 0.34 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.72 1c7m h GLU 87 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1c7m h GLU 87 CO -0.12 0.13 -0.39 -0.44 0.07 0.00 0.00 179.01 178.26 1c7m h ASP 88 N 0.00 -0.93 -0.53 3.06 5.19 -1.73 -1.10 116.42 120.39 1c7m h ASP 88 Ca -0.00 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 1c7m h ASP 88 Cb 0.25 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1c7m h ASP 88 CO 0.02 -0.61 0.18 0.08 -3.12 0.00 0.00 179.24 175.78 1c7m h ARG 89 N -1.19 0.81 -0.86 3.56 -0.00 -1.62 -2.44 114.38 112.62 1c7m h ARG 89 Ca -0.11 -0.17 0.00 0.00 -0.00 0.00 0.00 59.98 59.71 1c7m h ARG 89 Cb 0.85 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.97 30.66 1c7m h ARG 89 CO 0.18 0.73 0.55 0.00 -0.00 0.00 0.00 179.97 181.44 1c7m h ALA 90 N 1.04 1.10 -0.21 0.08 0.00 -1.30 0.53 119.26 120.50 1c7m h ALA 90 Ca 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1c7m h ALA 90 Cb 0.25 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1c7m h ALA 90 CO -0.01 0.52 0.12 -0.91 0.00 0.00 0.00 179.25 178.98 1c7m h ASN 91 N 1.18 0.25 -0.50 0.00 2.35 -0.91 -1.77 115.58 116.18 1c7m h ASN 91 Ca 0.31 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1c7m h ASN 91 Cb -0.10 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1c7m h ASN 91 CO -0.06 0.24 0.31 0.25 -1.65 0.00 0.00 177.43 176.52 1c7m h LEU 92 N 0.24 0.58 -1.27 1.61 6.46 -1.36 -1.79 115.31 119.79 1c7m h LEU 92 Ca 0.07 -0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1c7m h LEU 92 Cb 0.04 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 39.79 1c7m h LEU 92 CO -0.01 0.45 0.50 0.40 -0.62 0.00 0.00 178.44 179.16 1c7m h ILE 93 N 0.67 1.18 -0.15 4.05 2.04 -0.92 0.13 117.51 124.51 1c7m h ILE 93 Ca 0.18 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1c7m h ILE 93 Cb -0.04 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1c7m h ILE 93 CO -0.04 0.18 0.10 0.00 0.00 0.00 0.00 178.15 178.39 1c7m h ALA 94 N 1.54 0.19 -0.19 1.87 0.00 -1.20 -2.63 119.26 118.83 1c7m h ALA 94 Ca 0.28 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1c7m h ALA 94 Cb -0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1c7m h ALA 94 CO -0.07 -0.33 -0.20 -0.92 0.00 0.00 0.00 179.25 177.73 1c7m h TYR 95 N 0.20 -0.53 0.00 0.00 3.20 -1.07 -2.64 116.97 116.14 1c7m h TYR 95 Ca 0.05 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1c7m h TYR 95 Cb -0.02 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1c7m h TYR 95 CO -0.07 -0.28 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.03 1c7m h LEU 96 N -0.23 0.00 -0.02 2.82 3.38 -1.02 0.19 115.31 120.44 1c7m h LEU 96 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1c7m h LEU 96 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1c7m h LEU 96 CO -0.32 0.07 0.00 -0.33 0.09 0.00 0.00 178.44 177.95 1c7m h GLU 97 N 0.00 0.03 0.06 1.13 5.08 -1.43 -3.19 114.58 116.26 1c7m h GLU 97 Ca -0.00 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1c7m h GLU 97 Cb 0.13 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1c7m h GLU 97 CO 0.01 0.30 -0.40 0.78 -1.00 0.00 0.00 179.01 178.69 1c7m h GLY 98 N -0.23 0.19 -7.45 -3.84 0.00 -1.10 -3.45 103.07 87.19 1c7m h GLY 98 Ca 0.01 -0.45 -0.74 0.00 0.00 0.00 0.00 47.33 46.14 1c7m h GLY 98 CO 0.00 0.40 0.19 1.20 0.00 0.00 0.00 176.54 178.33 1c7m s GLN 99 N -2.50 3.35 0.00 4.80 1.11 0.65 -5.08 119.66 121.98 1c7m s GLN 99 Ca -0.16 -1.88 0.00 0.00 0.01 0.00 0.00 55.36 53.33 1c7m s GLN 99 Cb -0.01 -4.45 0.00 0.00 -1.01 0.00 0.00 33.01 27.54 1c7m s GLN 99 CO 0.76 -1.46 0.00 0.00 0.01 0.00 0.00 175.29 174.60