#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c01 s ALA 2 N 0.00 -1.80 -0.44 -0.43 0.00 -0.97 -4.82 121.76 113.30 1c01 s ALA 2 Ca 0.00 1.54 -0.17 0.00 0.00 0.00 0.00 51.96 53.33 1c01 s ALA 2 Cb 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.75 1c01 s ALA 2 CO 0.00 -0.35 0.42 0.12 0.00 0.00 0.00 175.76 175.95 1c01 s PHE 3 N -0.75 3.19 -0.12 0.00 5.36 -0.65 -0.72 117.98 124.28 1c01 s PHE 3 Ca -0.07 -0.56 -0.16 0.00 -0.96 0.00 0.00 56.93 55.17 1c01 s PHE 3 Cb -0.01 -2.96 -0.05 0.00 -0.34 0.00 0.00 43.02 39.66 1c01 s PHE 3 CO 0.06 -0.74 0.41 0.99 -1.46 0.00 0.00 175.22 174.48 1c01 s THR 4 N 1.98 5.21 0.03 0.12 2.01 0.17 -0.09 115.64 125.06 1c01 s THR 4 Ca 0.09 0.80 0.02 0.00 0.31 0.00 0.00 61.69 62.91 1c01 s THR 4 Cb -0.19 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1c01 s THR 4 CO 0.11 0.38 -0.07 0.68 -0.69 0.00 0.00 174.62 175.04 1c01 s VAL 5 N 0.33 0.47 0.28 3.82 -7.23 -0.43 0.10 120.40 117.74 1c01 s VAL 5 Ca 0.22 -0.91 0.10 0.00 -1.81 0.00 0.00 61.98 59.59 1c01 s VAL 5 Cb -0.15 -0.52 -0.05 0.00 0.56 0.00 0.00 36.38 36.23 1c01 s VAL 5 CO 0.09 -0.31 -0.07 0.26 -0.31 0.00 0.00 175.10 174.76 1c01 s TRP 6 N -1.17 2.54 -1.00 2.82 0.51 -0.26 -0.57 118.94 121.81 1c01 s TRP 6 Ca -0.09 -0.29 0.14 0.00 -2.12 0.00 0.00 56.10 53.74 1c01 s TRP 6 Cb -0.09 -1.17 0.59 0.00 -0.81 0.00 0.00 33.47 31.99 1c01 s TRP 6 CO 0.00 0.63 1.44 -1.13 -0.51 0.00 0.00 176.95 177.39 1c01 n SER 7 N -0.82 0.00 0.00 2.95 3.41 -0.88 -1.01 113.62 117.28 1c01 n SER 7 Ca -0.06 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1c01 n SER 7 Cb 0.60 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1c01 n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c01 n GLY 8 N -0.07 2.64 0.04 5.00 0.00 -1.26 -3.69 105.19 107.84 1c01 n GLY 8 Ca 0.03 -1.81 -0.00 0.00 0.00 0.00 0.00 46.02 44.24 1c01 n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c01 h PRO 9 N 0.00 -0.02 0.00 1.61 0.13 -1.93 -3.43 132.00 128.36 1c01 h PRO 9 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1c01 h PRO 9 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1c01 h PRO 9 CO 0.00 -0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.16 1c01 n GLY 10 N 1.78 1.10 2.15 1.56 0.00 -1.26 -3.24 105.19 107.28 1c01 n GLY 10 Ca -0.00 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 1c01 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c01 n ASN 12 N 0.04 0.00 0.00 0.00 3.02 -1.26 -4.95 115.26 112.11 1c01 n ASN 12 Ca 0.43 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1c01 n ASN 12 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1c01 n ASN 12 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1c01 n ASN 13 N 0.00 0.00 -4.77 6.41 0.23 -1.26 -4.40 115.26 111.47 1c01 n ASN 13 Ca 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.58 53.65 1c01 n ASN 13 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1c01 n ASN 13 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1c01 s ARG 14 N 0.00 4.42 0.05 -3.83 3.52 -1.26 -4.91 118.95 116.94 1c01 s ARG 14 Ca 0.00 1.97 0.03 0.00 -0.13 0.00 0.00 55.73 57.60 1c01 s ARG 14 Cb 0.00 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 1c01 s ARG 14 CO 0.00 -0.04 0.04 0.00 -0.81 0.00 0.00 175.30 174.49 1c01 s ALA 15 N -1.20 3.42 0.22 6.12 0.00 -1.26 -2.06 121.76 127.00 1c01 s ALA 15 Ca 0.49 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 1c01 s ALA 15 Cb -0.35 -1.36 0.01 0.00 0.00 0.00 0.00 23.12 21.43 1c01 s ALA 15 CO 0.45 0.71 0.51 -2.00 0.00 0.00 0.00 175.76 175.43 1c01 s GLU 16 N -2.09 1.47 0.05 0.00 2.12 0.26 -4.96 118.70 115.55 1c01 s GLU 16 Ca 0.25 -1.04 -0.01 0.00 0.36 0.00 0.00 54.97 54.53 1c01 s GLU 16 Cb -0.12 0.50 -0.04 0.00 0.26 0.00 0.00 34.13 34.74 1c01 s GLU 16 CO 0.17 -0.62 -0.02 0.50 -0.54 0.00 0.00 175.26 174.74 1c01 s ARG 17 N -3.94 0.58 -0.39 4.30 3.52 -1.26 -1.32 118.95 120.44 1c01 s ARG 17 Ca 0.14 -1.14 0.03 0.00 -0.13 0.00 0.00 55.73 54.63 1c01 s ARG 17 Cb -0.01 0.20 0.16 0.00 -1.56 0.00 0.00 34.95 33.74 1c01 s ARG 17 CO 0.03 -0.11 0.32 0.71 -0.81 0.00 0.00 175.30 175.45 1c01 s TYR 18 N -3.63 0.59 -0.32 5.12 1.51 0.87 -4.91 117.35 116.58 1c01 s TYR 18 Ca 0.04 -1.77 0.15 0.00 -1.01 0.00 0.00 57.07 54.48 1c01 s TYR 18 Cb 0.06 -0.76 0.41 0.00 -0.11 0.00 0.00 41.96 41.56 1c01 s TYR 18 CO -0.09 -0.88 1.32 -1.13 -1.11 0.00 0.00 175.55 173.66 1c01 n SER 19 N 3.45 3.32 -4.70 2.29 3.41 -1.26 -1.64 113.62 118.48 1c01 n SER 19 Ca 0.20 -2.75 -0.42 0.00 -0.26 0.00 0.00 58.87 55.65 1c01 n SER 19 Cb 0.44 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 1c01 n SER 19 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1c01 s LYS 20 N -2.33 4.18 -0.15 4.33 2.20 -1.26 -4.93 119.74 121.78 1c01 s LYS 20 Ca 0.34 2.44 -0.29 0.00 -0.36 0.00 0.00 55.97 58.09 1c01 s LYS 20 Cb 0.26 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 33.17 1c01 s LYS 20 CO 0.09 -0.72 1.36 0.00 -0.36 0.00 0.00 175.35 175.72 1c01 n GLY 22 N 3.78 1.43 3.01 0.00 0.00 -0.03 -4.93 105.19 108.45 1c01 n GLY 22 Ca 0.15 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1c01 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c01 s SER 24 N -0.99 -0.99 -0.07 0.00 1.04 -0.71 -4.96 113.70 107.02 1c01 s SER 24 Ca -0.11 1.51 -0.30 0.00 0.48 0.00 0.00 55.95 57.53 1c01 s SER 24 Cb -0.06 1.67 -0.02 0.00 0.10 0.00 0.00 66.02 67.70 1c01 s SER 24 CO 0.00 -0.23 1.01 0.00 0.98 0.00 0.00 173.24 175.00 1c01 s ALA 25 N 2.02 3.33 0.16 5.32 0.00 -1.26 -1.20 121.76 130.14 1c01 s ALA 25 Ca -0.09 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 1c01 s ALA 25 Cb -0.07 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 1c01 s ALA 25 CO -0.20 -0.49 0.97 0.42 0.00 0.00 0.00 175.76 176.46 1c01 s ILE 26 N 1.70 4.27 -0.26 0.00 1.09 0.24 -4.94 121.20 123.30 1c01 s ILE 26 Ca 0.50 2.02 -0.08 0.00 -1.10 0.00 0.00 60.65 61.99 1c01 s ILE 26 Cb -0.20 -4.29 -0.13 0.00 -1.06 0.00 0.00 42.46 36.79 1c01 s ILE 26 CO 0.21 0.37 -0.30 1.57 -0.10 0.00 0.00 174.94 176.70 1c01 n HIS 27 N 2.28 0.00 -1.53 3.97 -0.00 -1.26 -4.89 115.22 113.79 1c01 n HIS 27 Ca 0.01 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.81 1c01 n HIS 27 Cb 0.48 -0.95 -0.08 0.00 -0.12 0.00 0.00 29.99 29.32 1c01 n HIS 27 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1c01 n GLN 28 N -3.86 0.59 -2.35 1.57 3.00 -1.26 -4.83 117.38 110.23 1c01 n GLN 28 Ca -0.49 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.05 1c01 n GLN 28 Cb 0.90 -2.62 0.00 0.00 0.00 0.00 0.00 30.24 28.53 1c01 n GLN 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1c01 n LYS 29 N 8.75 3.81 0.00 -1.09 3.00 -1.26 -4.65 118.16 126.71 1c01 n LYS 29 Ca 0.50 -3.61 0.00 0.00 -0.00 0.00 0.00 58.31 55.19 1c01 n LYS 29 Cb 0.33 -2.86 0.00 0.00 0.00 0.00 0.00 35.03 32.50 1c01 n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1c01 n GLY 30 N 2.53 1.10 3.92 3.14 0.00 -1.20 -4.51 105.19 110.18 1c01 n GLY 30 Ca 0.41 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 46.40 1c01 n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c01 s GLY 31 N 0.00 1.43 0.08 -0.02 0.00 -0.18 -3.62 107.32 105.01 1c01 s GLY 31 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 43.94 1c01 s GLY 31 CO 0.00 -0.57 0.21 -0.19 0.00 0.00 0.00 173.10 172.55 1c01 s TYR 32 N -2.55 0.10 -0.07 1.90 2.02 -0.29 -1.10 117.35 117.35 1c01 s TYR 32 Ca 0.44 -0.48 -0.31 0.00 -0.37 0.00 0.00 57.07 56.36 1c01 s TYR 32 Cb -0.10 -0.02 0.12 0.00 -0.40 0.00 0.00 41.96 41.55 1c01 s TYR 32 CO 0.41 -0.54 0.99 0.34 -1.57 0.00 0.00 175.55 175.18 1c01 s ASP 33 N -2.71 -0.29 0.10 2.29 2.15 0.29 0.33 116.67 118.82 1c01 s ASP 33 Ca 0.03 0.02 0.02 0.00 0.43 0.00 0.00 52.55 53.05 1c01 s ASP 33 Cb 0.04 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.92 1c01 s ASP 33 CO -0.10 -0.48 -0.07 0.12 -0.17 0.00 0.00 175.17 174.47 1c01 s PHE 34 N -2.79 0.91 -0.36 -5.34 5.36 -0.47 0.42 117.98 115.72 1c01 s PHE 34 Ca 0.06 -0.90 0.02 0.00 -0.96 0.00 0.00 56.93 55.15 1c01 s PHE 34 Cb -0.01 -0.52 0.15 0.00 -0.34 0.00 0.00 43.02 42.30 1c01 s PHE 34 CO -0.07 -0.13 0.35 0.45 -1.46 0.00 0.00 175.22 174.36 1c01 s SER 35 N -3.03 1.40 0.54 6.13 0.15 0.10 -1.90 113.70 117.09 1c01 s SER 35 Ca 0.12 -1.56 -0.19 0.00 0.70 0.00 0.00 55.95 55.02 1c01 s SER 35 Cb 0.05 0.46 -0.06 0.00 -1.71 0.00 0.00 66.02 64.76 1c01 s SER 35 CO -0.04 -0.28 1.12 -0.47 1.20 0.00 0.00 173.24 174.77 1c01 s TYR 36 N 1.49 2.70 0.00 3.44 6.14 -1.26 -2.29 117.35 127.58 1c01 s TYR 36 Ca 0.16 1.55 0.00 0.00 0.64 0.00 0.00 57.07 59.42 1c01 s TYR 36 Cb -0.16 -3.26 0.00 0.00 0.42 0.00 0.00 41.96 38.96 1c01 s TYR 36 CO -0.06 -1.50 0.00 0.25 0.64 0.00 0.00 175.55 174.88 1c01 n THR 37 N -1.33 0.00 -0.20 4.34 -2.24 -1.26 -4.59 114.28 109.00 1c01 n THR 37 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1c01 n THR 37 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1c01 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c01 n GLY 38 N 1.02 0.20 3.37 3.38 0.00 -1.26 -5.02 105.19 106.87 1c01 n GLY 38 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1c01 n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1c01 s GLN 39 N 0.00 3.42 0.76 1.61 1.11 -1.26 -5.03 119.66 120.27 1c01 s GLN 39 Ca 0.00 -0.64 -0.11 0.00 0.01 0.00 0.00 55.36 54.62 1c01 s GLN 39 Cb 0.00 -2.79 0.06 0.00 -1.01 0.00 0.00 33.01 29.27 1c01 s GLN 39 CO 0.00 0.09 1.12 0.99 0.01 0.00 0.00 175.29 177.50 1c01 s THR 40 N 0.70 2.48 -0.22 -0.19 2.01 -1.26 -4.59 115.64 114.57 1c01 s THR 40 Ca -0.04 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 1c01 s THR 40 Cb -0.15 -3.14 0.11 0.00 0.01 0.00 0.00 72.50 69.34 1c01 s THR 40 CO 0.02 -0.17 0.37 0.00 -0.69 0.00 0.00 174.62 174.15 1c01 s ALA 41 N -3.44 -1.03 0.73 7.40 0.00 -1.12 -2.20 121.76 122.09 1c01 s ALA 41 Ca 0.60 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 53.50 1c01 s ALA 41 Cb -0.11 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.53 1c01 s ALA 41 CO 0.49 -1.07 1.11 0.00 0.00 0.00 0.00 175.76 176.29 1c01 s ALA 42 N 2.55 2.80 -0.29 0.00 0.00 -0.14 -1.03 121.76 125.65 1c01 s ALA 42 Ca 0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 1c01 s ALA 42 Cb -0.14 -3.02 0.09 0.00 0.00 0.00 0.00 23.12 20.04 1c01 s ALA 42 CO -0.14 -1.27 0.06 -0.51 0.00 0.00 0.00 175.76 173.90 1c01 s LEU 43 N -5.43 2.56 0.03 0.00 1.43 0.16 -1.50 118.68 115.94 1c01 s LEU 43 Ca 0.59 -1.57 -0.26 0.00 -1.03 0.00 0.00 54.13 51.86 1c01 s LEU 43 Cb -0.11 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 1c01 s LEU 43 CO 0.52 -0.38 0.80 -0.31 0.23 0.00 0.00 176.35 177.21 1c01 s TYR 44 N 1.50 3.71 -1.14 0.29 1.51 -0.25 -1.43 117.35 121.55 1c01 s TYR 44 Ca 0.07 1.50 0.21 0.00 -1.01 0.00 0.00 57.07 57.84 1c01 s TYR 44 Cb -0.18 -2.87 0.95 0.00 -0.11 0.00 0.00 41.96 39.75 1c01 s TYR 44 CO -0.18 0.21 1.67 -1.71 -1.11 0.00 0.00 175.55 174.43 1c01 n ASN 45 N 3.06 0.00 -4.28 2.29 5.15 -1.17 -1.41 115.26 118.90 1c01 n ASN 45 Ca -0.01 0.33 -0.31 0.00 -0.60 0.00 0.00 54.58 54.00 1c01 n ASN 45 Cb 0.50 -0.43 -0.16 0.00 -0.53 0.00 0.00 39.78 39.16 1c01 n ASN 45 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1c01 s GLN 46 N -2.86 2.19 0.42 1.20 -1.52 -1.26 -3.84 119.66 113.99 1c01 s GLN 46 Ca 0.13 -0.89 -0.22 0.00 -1.95 0.00 0.00 55.36 52.43 1c01 s GLN 46 Cb 0.14 -2.02 -0.13 0.00 -0.22 0.00 0.00 33.01 30.79 1c01 s GLN 46 CO 0.36 0.48 0.55 0.00 -0.25 0.00 0.00 175.29 176.43 1c01 n ALA 47 N 2.64 -1.50 -3.88 6.09 0.00 -1.26 -3.24 120.51 119.35 1c01 n ALA 47 Ca -0.16 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1c01 n ALA 47 Cb 0.52 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1c01 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c01 n GLY 48 N 1.79 -0.54 1.61 0.00 0.00 -1.26 -1.98 105.19 104.80 1c01 n GLY 48 Ca 0.11 0.27 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 1c01 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c01 n SER 50 N 0.00 6.52 0.00 0.00 2.88 -0.84 -4.77 113.62 117.42 1c01 n SER 50 Ca -0.05 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.32 1c01 n SER 50 Cb 0.24 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1c01 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c01 n GLY 51 N 0.60 4.29 3.00 0.46 0.00 -1.26 -4.71 105.19 107.56 1c01 n GLY 51 Ca 0.42 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1c01 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c01 s VAL 52 N 2.70 0.43 -0.58 1.61 0.11 -1.26 -4.96 120.40 118.45 1c01 s VAL 52 Ca 0.00 -0.57 -0.27 0.00 -2.93 0.00 0.00 61.98 58.21 1c01 s VAL 52 Cb 0.00 -0.43 0.01 0.00 -1.53 0.00 0.00 36.38 34.42 1c01 s VAL 52 CO 0.00 -0.10 1.53 0.00 -3.33 0.00 0.00 175.10 173.19 1c01 s ALA 53 N -0.65 2.66 0.03 1.54 0.00 -1.26 -3.03 121.76 121.05 1c01 s ALA 53 Ca -0.03 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.08 1c01 s ALA 53 Cb -0.05 -4.16 -0.34 0.00 0.00 0.00 0.00 23.12 18.57 1c01 s ALA 53 CO 0.00 -3.17 1.03 1.25 0.00 0.00 0.00 175.76 174.87 1c01 h HIS 54 N 11.94 0.99 -4.12 0.00 6.17 -1.62 -3.47 115.15 125.04 1c01 h HIS 54 Ca -0.27 -0.69 -0.14 0.00 0.71 0.00 0.00 60.37 59.98 1c01 h HIS 54 Cb 1.11 -0.05 -0.14 0.00 2.52 0.00 0.00 27.41 30.85 1c01 h HIS 54 CO 1.04 1.53 -0.48 0.99 0.71 0.00 0.00 177.93 181.73 1c01 s THR 55 N -2.71 0.09 0.09 6.26 2.01 -1.25 -5.01 115.64 115.12 1c01 s THR 55 Ca -0.09 -1.61 -0.00 0.00 0.31 0.00 0.00 61.69 60.29 1c01 s THR 55 Cb 0.04 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.67 1c01 s THR 55 CO 0.94 -0.42 0.11 -2.11 -0.69 0.00 0.00 174.62 172.45 1c01 n ARG 56 N -0.14 0.16 -3.49 4.92 1.85 -1.26 0.36 116.66 119.06 1c01 n ARG 56 Ca -0.07 -0.71 -0.22 0.00 -1.00 0.00 0.00 57.85 55.85 1c01 n ARG 56 Cb 0.63 0.67 -0.13 0.00 -1.05 0.00 0.00 32.46 32.58 1c01 n ARG 56 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1c01 s PHE 57 N -4.11 -0.12 -0.81 2.89 0.08 -0.20 -4.95 117.98 110.76 1c01 s PHE 57 Ca 0.08 -0.26 0.23 0.00 0.12 0.00 0.00 56.93 57.10 1c01 s PHE 57 Cb -0.00 -0.58 0.09 0.00 -0.57 0.00 0.00 43.02 41.96 1c01 s PHE 57 CO 0.05 -0.75 1.09 0.41 -0.10 0.00 0.00 175.22 175.92 1c01 n GLY 58 N 5.29 -1.16 3.39 4.36 0.00 -1.26 -2.78 105.19 113.03 1c01 n GLY 58 Ca -0.05 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 1c01 n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1c01 s SER 59 N -3.44 -0.49 0.07 1.61 0.15 -1.26 -4.87 113.70 105.47 1c01 s SER 59 Ca 0.07 0.87 -0.36 0.00 0.70 0.00 0.00 55.95 57.23 1c01 s SER 59 Cb 0.16 0.90 -0.19 0.00 -1.71 0.00 0.00 66.02 65.18 1c01 s SER 59 CO 0.79 -0.24 0.96 -1.54 1.20 0.00 0.00 173.24 174.41 1c01 n SER 60 N 2.49 -0.11 -3.67 5.45 3.41 -1.26 -4.68 113.62 115.25 1c01 n SER 60 Ca -0.15 1.15 -0.10 0.00 -0.26 0.00 0.00 58.87 59.51 1c01 n SER 60 Cb 0.57 -0.97 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 1c01 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c01 s ALA 61 N -0.24 -0.98 -0.94 7.33 0.00 -0.80 -4.93 121.76 121.20 1c01 s ALA 61 Ca 0.82 1.36 -0.22 0.00 0.00 0.00 0.00 51.96 53.92 1c01 s ALA 61 Cb -1.13 -1.17 0.07 0.00 0.00 0.00 0.00 23.12 20.89 1c01 s ALA 61 CO 0.56 -0.64 1.30 1.03 0.00 0.00 0.00 175.76 178.01 1c01 s ARG 62 N 2.34 3.51 -1.30 0.00 0.52 -1.26 -1.37 118.95 121.39 1c01 s ARG 62 Ca -0.02 -1.19 -0.05 0.00 -0.52 0.00 0.00 55.73 53.94 1c01 s ARG 62 Cb -0.11 -5.02 0.14 0.00 0.52 0.00 0.00 34.95 30.48 1c01 s ARG 62 CO -0.12 -2.05 2.30 0.00 0.02 0.00 0.00 175.30 175.46 1c01 n ALA 63 N 8.17 6.63 0.28 2.13 0.00 0.15 -4.75 120.51 133.13 1c01 n ALA 63 Ca 0.24 -4.14 0.16 0.00 0.00 0.00 0.00 53.44 49.70 1c01 n ALA 63 Cb 0.50 -2.75 0.87 0.00 0.00 0.00 0.00 19.45 18.06 1c01 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c01 s ASN 65 N -4.49 5.72 0.32 0.00 -0.87 -1.26 -3.87 114.94 110.49 1c01 s ASN 65 Ca -0.04 1.52 -0.28 0.00 -1.57 0.00 0.00 52.86 52.49 1c01 s ASN 65 Cb 0.09 -2.46 -0.13 0.00 -0.02 0.00 0.00 41.25 38.73 1c01 s ASN 65 CO 0.29 -1.21 1.20 -2.65 -2.57 0.00 0.00 177.10 172.16 1c01 n PRO 66 N -2.97 1.87 0.00 -0.60 -0.01 -1.24 -4.47 135.00 127.58 1c01 n PRO 66 Ca 0.07 0.66 0.00 0.00 -0.01 0.00 0.00 63.50 64.22 1c01 n PRO 66 Cb 0.54 -2.17 0.00 0.00 -0.01 0.00 0.00 33.50 31.86 1c01 n PRO 66 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 175.50 177.46 1c01 n PHE 67 N 0.32 0.00 -2.00 6.00 1.16 -1.26 -5.11 117.46 116.57 1c01 n PHE 67 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.64 1c01 n PHE 67 Cb 0.35 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.21 1c01 n PHE 67 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1c01 n GLY 68 N 5.00 0.93 3.68 4.97 0.00 -1.26 -5.13 105.19 113.38 1c01 n GLY 68 Ca 0.00 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1c01 n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1c01 s TRP 69 N 0.00 3.05 -0.13 1.61 0.51 -1.26 -4.80 118.94 117.92 1c01 s TRP 69 Ca 0.00 0.04 -0.21 0.00 -2.12 0.00 0.00 56.10 53.81 1c01 s TRP 69 Cb 0.00 -1.63 -0.26 0.00 -0.81 0.00 0.00 33.47 30.77 1c01 s TRP 69 CO -0.00 0.46 0.59 -0.22 -0.51 0.00 0.00 176.95 177.27 1c01 h LYS 70 N 4.05 0.14 -5.02 4.98 3.11 -1.34 -3.46 116.57 119.04 1c01 h LYS 70 Ca -0.48 -0.24 -0.48 0.00 -2.81 0.00 0.00 60.65 56.63 1c01 h LYS 70 Cb 1.17 0.09 -0.14 0.00 -1.00 0.00 0.00 32.23 32.36 1c01 h LYS 70 CO 0.58 1.12 -0.55 -1.54 -2.81 0.00 0.00 179.45 176.24 1c01 s SER 71 N -6.79 2.22 -0.01 4.20 1.04 -0.62 -0.59 113.70 113.14 1c01 s SER 71 Ca -0.21 -1.56 0.01 0.00 0.48 0.00 0.00 55.95 54.68 1c01 s SER 71 Cb 0.02 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1c01 s SER 71 CO 0.72 -0.84 -0.04 -0.51 0.98 0.00 0.00 173.24 173.56 1c01 s ILE 72 N -3.38 0.34 -0.16 -1.02 2.07 -0.34 -1.09 121.20 117.62 1c01 s ILE 72 Ca 0.31 -0.14 -0.04 0.00 -1.41 0.00 0.00 60.65 59.36 1c01 s ILE 72 Cb 0.05 -0.32 -0.03 0.00 0.13 0.00 0.00 42.46 42.29 1c01 s ILE 72 CO 0.16 0.12 -0.02 0.12 -1.91 0.00 0.00 174.94 173.41 1c01 s PHE 73 N 0.17 3.07 -0.11 3.50 2.19 -0.56 -1.74 117.98 124.51 1c01 s PHE 73 Ca -0.02 -0.22 0.03 0.00 0.33 0.00 0.00 56.93 57.05 1c01 s PHE 73 Cb -0.05 -1.98 -0.00 0.00 -1.31 0.00 0.00 43.02 39.68 1c01 s PHE 73 CO -0.00 0.00 -0.23 0.42 1.83 0.00 0.00 175.22 177.24 1c01 s ILE 74 N 0.36 2.18 -1.10 3.12 1.01 -0.88 -0.96 121.20 124.93 1c01 s ILE 74 Ca -0.03 -0.97 -0.26 0.00 0.00 0.00 0.00 60.65 59.39 1c01 s ILE 74 Cb -0.14 -1.84 -0.21 0.00 0.01 0.00 0.00 42.46 40.28 1c01 s ILE 74 CO 0.02 0.55 2.10 -1.10 0.00 0.00 0.00 174.94 176.52 1c01 s GLN 75 N 0.38 1.31 0.00 2.79 -1.52 -0.94 -2.36 119.66 119.32 1c01 s GLN 75 Ca -0.17 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 1c01 s GLN 75 Cb -0.18 -5.01 0.00 0.00 -0.22 0.00 0.00 33.01 27.60 1c01 s GLN 75 CO 0.08 -5.36 0.00 0.00 -0.25 0.00 0.00 175.29 169.76