#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 -2.04 -0.53 -1.46 0.00 -0.72 -4.75 121.76 112.27 1c01 s ALA 2 Ca 0.00 1.77 -0.19 0.00 0.00 0.00 0.00 51.96 53.54 1c01 s ALA 2 Cb 0.00 -1.38 0.07 0.00 0.00 0.00 0.00 23.12 21.81 1c01 s ALA 2 CO 0.00 -0.22 0.67 0.12 0.00 0.00 0.00 175.76 176.33 1c01 s PHE 3 N -0.18 3.02 0.57 0.00 5.36 -0.43 -1.34 117.98 124.97 1c01 s PHE 3 Ca 0.04 -0.62 -0.11 0.00 -0.96 0.00 0.00 56.93 55.27 1c01 s PHE 3 Cb -0.04 -3.69 -0.05 0.00 -0.34 0.00 0.00 43.02 38.90 1c01 s PHE 3 CO -0.07 -1.13 0.98 0.99 -1.46 0.00 0.00 175.22 174.53 1c01 s THR 4 N 2.73 4.71 -0.21 0.12 2.01 0.12 -1.39 115.64 123.72 1c01 s THR 4 Ca 0.15 0.85 -0.08 0.00 0.31 0.00 0.00 61.69 62.91 1c01 s THR 4 Cb -0.20 -3.84 0.09 0.00 0.01 0.00 0.00 72.50 68.56 1c01 s THR 4 CO 0.11 -1.00 0.47 0.68 -0.69 0.00 0.00 174.62 174.19 1c01 s VAL 5 N -2.98 -0.53 0.08 3.82 -7.23 -0.22 -1.56 120.40 111.77 1c01 s VAL 5 Ca 0.55 0.12 -0.07 0.00 -1.81 0.00 0.00 61.98 60.76 1c01 s VAL 5 Cb -0.11 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 1c01 s VAL 5 CO 0.48 0.05 0.35 0.26 -0.31 0.00 0.00 175.10 175.93 1c01 s TRP 6 N 2.34 3.55 0.09 2.82 0.51 0.34 -1.32 118.94 127.28 1c01 s TRP 6 Ca -0.04 0.65 0.30 0.00 -2.12 0.00 0.00 56.10 54.88 1c01 s TRP 6 Cb -0.11 -2.06 1.60 0.00 -0.81 0.00 0.00 33.47 32.09 1c01 s TRP 6 CO -0.14 0.52 1.91 0.66 -0.51 0.00 0.00 176.95 179.39 1c01 h SER 7 N 3.51 0.00 -5.00 2.95 4.64 -1.59 -1.37 113.55 116.69 1c01 h SER 7 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1c01 h SER 7 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1c01 h SER 7 CO 0.68 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 1c01 n GLY 8 N -1.17 2.87 0.16 -0.77 0.00 -1.26 -3.54 105.19 101.49 1c01 n GLY 8 Ca -0.02 -2.00 -0.05 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.30 0.00 1.61 0.13 -1.95 -3.42 132.00 128.07 1c01 h PRO 9 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1c01 h PRO 9 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1c01 h PRO 9 CO 0.00 -0.18 0.00 0.41 -0.23 0.00 0.00 178.00 178.00 1c01 n GLY 10 N 0.95 1.58 2.85 1.56 0.00 -1.26 -2.93 105.19 107.95 1c01 n GLY 10 Ca -0.04 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 0.83 0.05 -3.22 0.00 3.02 -1.26 -5.07 115.26 109.61 1c01 n ASN 12 Ca 0.32 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1c01 n ASN 12 Cb 0.32 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 -2.50 0.00 -4.80 6.41 0.23 -1.26 -4.97 115.26 108.37 1c01 n ASN 13 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.75 1c01 n ASN 13 Cb 0.08 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 37.85 1c01 n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1c01 s ARG 14 N 0.00 2.40 0.33 -3.83 1.70 -1.26 -4.87 118.95 113.42 1c01 s ARG 14 Ca 0.00 0.82 -0.11 0.00 -0.47 0.00 0.00 55.73 55.97 1c01 s ARG 14 Cb 0.00 -1.94 0.02 0.00 -0.57 0.00 0.00 34.95 32.46 1c01 s ARG 14 CO 0.00 -1.44 0.60 0.00 -1.08 0.00 0.00 175.30 173.37 1c01 s ALA 15 N -3.08 -0.13 0.04 7.88 0.00 -1.26 -1.65 121.76 123.56 1c01 s ALA 15 Ca 0.60 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 1c01 s ALA 15 Cb -0.15 0.96 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1c01 s ALA 15 CO 0.55 -0.89 0.22 -2.00 0.00 0.00 0.00 175.76 173.64 1c01 s GLU 16 N -3.14 0.72 0.03 0.00 2.12 -0.43 -4.99 118.70 113.01 1c01 s GLU 16 Ca 0.22 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 55.01 1c01 s GLU 16 Cb -0.02 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.64 1c01 s GLU 16 CO 0.14 -0.21 -0.18 0.50 -0.54 0.00 0.00 175.26 174.97 1c01 s ARG 17 N -2.58 2.13 -0.39 4.30 3.52 -1.26 -1.06 118.95 123.62 1c01 s ARG 17 Ca -0.05 -0.94 0.02 0.00 -0.13 0.00 0.00 55.73 54.63 1c01 s ARG 17 Cb -0.01 -2.21 0.11 0.00 -1.56 0.00 0.00 34.95 31.28 1c01 s ARG 17 CO -0.04 0.55 0.15 0.71 -0.81 0.00 0.00 175.30 175.86 1c01 s TYR 18 N -0.89 2.61 -0.41 5.12 1.51 -0.49 -4.89 117.35 119.90 1c01 s TYR 18 Ca 0.14 -2.53 0.06 0.00 -1.01 0.00 0.00 57.07 53.73 1c01 s TYR 18 Cb -0.10 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 1c01 s TYR 18 CO 0.05 -0.85 0.36 0.45 -1.11 0.00 0.00 175.55 174.45 1c01 n SER 19 N 4.02 0.60 -4.67 2.29 2.88 -1.26 -1.31 113.62 116.16 1c01 n SER 19 Ca 0.04 -0.80 -0.54 0.00 -1.33 0.00 0.00 58.87 56.24 1c01 n SER 19 Cb 0.38 0.74 -0.06 0.00 -0.75 0.00 0.00 64.21 64.52 1c01 n SER 19 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1c01 n LYS 20 N -0.75 1.39 -2.20 -1.46 5.02 -1.26 -4.84 118.16 114.06 1c01 n LYS 20 Ca 0.02 0.51 -0.31 0.00 -2.02 0.00 0.00 58.31 56.50 1c01 n LYS 20 Cb 0.11 -2.21 -0.04 0.00 -0.02 0.00 0.00 35.03 32.86 1c01 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c01 n GLY 22 N 6.84 -0.71 3.59 0.00 0.00 0.64 -4.86 105.19 110.69 1c01 n GLY 22 Ca 0.38 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 1.93 2.34 -0.31 0.00 1.04 -0.37 -4.73 113.70 113.60 1c01 s SER 24 Ca 0.36 -0.40 -0.27 0.00 0.48 0.00 0.00 55.95 56.12 1c01 s SER 24 Cb -0.12 -0.84 0.01 0.00 0.10 0.00 0.00 66.02 65.17 1c01 s SER 24 CO 0.19 0.13 0.99 0.00 0.98 0.00 0.00 173.24 175.54 1c01 s ALA 25 N 0.23 3.51 0.14 5.32 0.00 -1.26 -1.26 121.76 128.45 1c01 s ALA 25 Ca -0.09 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 1c01 s ALA 25 Cb -0.14 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 1c01 s ALA 25 CO 0.04 -1.40 0.96 0.42 0.00 0.00 0.00 175.76 175.78 1c01 s ILE 26 N 3.44 4.38 -0.14 0.00 1.01 -0.67 -4.96 121.20 124.26 1c01 s ILE 26 Ca 0.42 2.07 0.10 0.00 0.00 0.00 0.00 60.65 63.23 1c01 s ILE 26 Cb -0.13 -4.32 -0.15 0.00 0.01 0.00 0.00 42.46 37.87 1c01 s ILE 26 CO 0.14 0.36 0.00 1.41 0.00 0.00 0.00 174.94 176.86 1c01 n HIS 27 N 2.46 0.00 -2.53 3.97 8.25 -1.26 -4.80 115.22 121.31 1c01 n HIS 27 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 1c01 n HIS 27 Cb 0.49 -0.66 -0.03 0.00 1.12 0.00 0.00 29.99 30.91 1c01 n HIS 27 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1c01 s GLN 28 N -2.33 3.47 -1.30 -0.41 1.11 -1.26 -4.87 119.66 114.07 1c01 s GLN 28 Ca -0.10 -0.93 -0.06 0.00 0.01 0.00 0.00 55.36 54.28 1c01 s GLN 28 Cb 0.04 -5.16 0.14 0.00 -1.01 0.00 0.00 33.01 27.03 1c01 s GLN 28 CO 0.51 -2.26 2.23 1.63 0.01 0.00 0.00 175.29 177.41 1c01 n LYS 29 N 8.97 4.38 0.00 2.91 5.02 -1.26 -4.55 118.16 133.62 1c01 n LYS 29 Ca 0.29 -3.53 0.00 0.00 -2.02 0.00 0.00 58.31 53.04 1c01 n LYS 29 Cb 0.51 -2.70 0.00 0.00 -0.02 0.00 0.00 35.03 32.82 1c01 n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c01 n GLY 30 N 1.93 3.08 3.93 0.72 0.00 -0.92 -4.30 105.19 109.63 1c01 n GLY 30 Ca 0.56 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 1.62 -0.28 -0.02 0.00 -0.56 -2.56 107.32 105.51 1c01 s GLY 31 Ca 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 44.72 43.72 1c01 s GLY 31 CO 0.00 -0.58 0.75 -2.52 0.00 0.00 0.00 173.10 170.74 1c01 s TYR 32 N -2.89 -0.98 0.38 1.90 -0.85 -0.80 -0.50 117.35 113.61 1c01 s TYR 32 Ca 0.53 1.95 0.08 0.00 -0.52 0.00 0.00 57.07 59.11 1c01 s TYR 32 Cb -0.10 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.78 1c01 s TYR 32 CO 0.43 -0.49 0.19 0.34 -1.52 0.00 0.00 175.55 174.50 1c01 s ASP 33 N 1.64 4.60 0.05 -0.18 2.15 -0.60 -0.61 116.67 123.72 1c01 s ASP 33 Ca -0.10 -0.91 -0.12 0.00 0.43 0.00 0.00 52.55 51.86 1c01 s ASP 33 Cb -0.05 -0.59 0.01 0.00 -0.30 0.00 0.00 42.92 41.99 1c01 s ASP 33 CO -0.19 -0.46 0.25 0.12 -0.17 0.00 0.00 175.17 174.72 1c01 s PHE 34 N -2.51 -0.02 0.02 -5.34 5.36 0.69 0.11 117.98 116.29 1c01 s PHE 34 Ca 0.41 -0.18 0.01 0.00 -0.96 0.00 0.00 56.93 56.21 1c01 s PHE 34 Cb 0.00 0.03 -0.02 0.00 -0.34 0.00 0.00 43.02 42.70 1c01 s PHE 34 CO 0.23 -0.48 -0.06 -1.12 -1.46 0.00 0.00 175.22 172.34 1c01 s SER 35 N -2.15 0.59 0.03 6.13 0.01 -0.45 -1.27 113.70 116.59 1c01 s SER 35 Ca -0.04 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.85 1c01 s SER 35 Cb -0.00 0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 1c01 s SER 35 CO -0.04 -0.15 -0.09 -0.47 0.41 0.00 0.00 173.24 172.90 1c01 s TYR 36 N -1.02 0.76 0.00 2.43 5.04 -1.26 -1.75 117.35 121.55 1c01 s TYR 36 Ca -0.08 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1c01 s TYR 36 Cb -0.08 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.77 1c01 s TYR 36 CO -0.00 -0.03 0.00 -2.37 -1.34 0.00 0.00 175.55 171.81 1c01 n THR 37 N 2.07 0.00 0.00 4.34 5.66 -1.26 -4.70 114.28 120.39 1c01 n THR 37 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1c01 n THR 37 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1c01 n THR 37 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1c01 n GLY 38 N -0.54 0.74 3.45 1.09 0.00 -1.26 -5.02 105.19 103.65 1c01 n GLY 38 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1c01 n GLY 38 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1c01 s GLN 39 N -0.33 0.81 0.66 1.61 0.00 -1.26 -4.89 119.66 116.25 1c01 s GLN 39 Ca 0.00 0.43 -0.07 0.00 -0.00 0.00 0.00 55.36 55.72 1c01 s GLN 39 Cb 0.00 0.38 0.03 0.00 0.00 0.00 0.00 33.01 33.42 1c01 s GLN 39 CO 0.00 -0.18 0.99 0.99 0.00 0.00 0.00 175.29 177.08 1c01 s THR 40 N -0.51 3.10 0.07 3.63 2.01 -1.26 -4.76 115.64 117.91 1c01 s THR 40 Ca -0.06 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.95 1c01 s THR 40 Cb -0.03 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1c01 s THR 40 CO 0.05 -0.32 -0.05 0.00 -0.69 0.00 0.00 174.62 173.60 1c01 s ALA 41 N -3.17 0.71 -0.21 7.40 0.00 -1.14 -3.23 121.76 122.13 1c01 s ALA 41 Ca 0.57 -1.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 1c01 s ALA 41 Cb -0.11 0.17 0.06 0.00 0.00 0.00 0.00 23.12 23.25 1c01 s ALA 41 CO 0.46 -0.24 0.52 0.00 0.00 0.00 0.00 175.76 176.51 1c01 s ALA 42 N -3.20 -1.37 0.44 0.00 0.00 -0.56 -0.98 121.76 116.10 1c01 s ALA 42 Ca 0.05 1.82 -0.00 0.00 0.00 0.00 0.00 51.96 53.82 1c01 s ALA 42 Cb 0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1c01 s ALA 42 CO -0.05 -0.30 0.67 -0.51 0.00 0.00 0.00 175.76 175.57 1c01 s LEU 43 N 1.27 3.68 -0.28 0.00 2.01 -0.28 -1.05 118.68 124.01 1c01 s LEU 43 Ca -0.08 0.37 -0.21 0.00 0.01 0.00 0.00 54.13 54.22 1c01 s LEU 43 Cb -0.06 -3.24 0.13 0.00 0.01 0.00 0.00 46.19 43.02 1c01 s LEU 43 CO -0.13 -0.66 0.98 -0.72 1.01 0.00 0.00 176.35 176.83 1c01 s TYR 44 N -2.55 -0.57 -1.85 0.29 -0.85 -0.85 -1.52 117.35 109.45 1c01 s TYR 44 Ca 0.47 1.25 0.00 0.00 -0.52 0.00 0.00 57.07 58.27 1c01 s TYR 44 Cb -0.10 0.38 0.00 0.00 0.38 0.00 0.00 41.96 42.62 1c01 s TYR 44 CO 0.38 -0.28 0.32 0.09 -1.52 0.00 0.00 175.55 174.55 1c01 n ASN 45 N 3.01 0.05 -3.82 -0.18 3.02 -1.25 -2.14 115.26 113.94 1c01 n ASN 45 Ca -0.16 -0.69 -0.27 0.00 -0.03 0.00 0.00 54.58 53.43 1c01 n ASN 45 Cb 0.57 -0.03 -0.17 0.00 -0.61 0.00 0.00 39.78 39.55 1c01 n ASN 45 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1c01 s GLN 46 N -1.85 1.05 0.43 3.52 -1.52 -1.26 -4.33 119.66 115.70 1c01 s GLN 46 Ca 0.00 -0.44 -0.21 0.00 -1.95 0.00 0.00 55.36 52.77 1c01 s GLN 46 Cb 0.00 -1.95 -0.15 0.00 -0.22 0.00 0.00 33.01 30.69 1c01 s GLN 46 CO 0.00 -0.51 0.09 0.00 -0.25 0.00 0.00 175.29 174.62 1c01 n ALA 47 N 4.96 -2.88 -3.84 6.09 0.00 -1.26 -2.41 120.51 121.17 1c01 n ALA 47 Ca -0.10 0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.16 1c01 n ALA 47 Cb 0.47 -1.49 0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 2.32 -0.39 3.83 0.00 0.00 -1.26 -2.30 105.19 107.39 1c01 n GLY 48 Ca 0.11 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.21 7.15 -0.44 0.00 7.64 -0.97 -4.91 113.62 119.87 1c01 n SER 50 Ca 0.07 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.45 1c01 n SER 50 Cb 0.48 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1c01 n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c01 n GLY 51 N -0.24 2.55 3.93 0.23 0.00 -1.26 -4.79 105.19 105.61 1c01 n GLY 51 Ca 0.50 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.99 5.23 0.14 1.61 0.11 -1.26 -4.98 120.40 118.27 1c01 s VAL 52 Ca 0.00 -0.37 -0.16 0.00 -2.93 0.00 0.00 61.98 58.52 1c01 s VAL 52 Cb 0.00 -3.71 -0.07 0.00 -1.53 0.00 0.00 36.38 31.07 1c01 s VAL 52 CO 0.00 -0.11 0.58 0.00 -3.33 0.00 0.00 175.10 172.24 1c01 s ALA 53 N -1.80 3.56 -0.08 1.54 0.00 -1.26 -3.96 121.76 119.77 1c01 s ALA 53 Ca 0.38 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.22 1c01 s ALA 53 Cb -0.11 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1c01 s ALA 53 CO 0.28 0.43 -0.13 0.72 0.00 0.00 0.00 175.76 177.06 1c01 n HIS 54 N 0.96 0.00 -3.99 0.00 8.25 -0.57 -4.95 115.22 114.92 1c01 n HIS 54 Ca -0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.09 1c01 n HIS 54 Cb 0.51 -0.32 -0.15 0.00 1.12 0.00 0.00 29.99 31.15 1c01 n HIS 54 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1c01 s THR 55 N -2.23 1.90 -0.31 1.59 2.01 -1.25 -4.97 115.64 112.37 1c01 s THR 55 Ca -0.13 -1.69 -0.15 0.00 0.31 0.00 0.00 61.69 60.03 1c01 s THR 55 Cb 0.04 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 1c01 s THR 55 CO 0.17 -0.27 0.37 -0.13 -0.69 0.00 0.00 174.62 174.08 1c01 s ARG 56 N 1.18 3.77 -0.47 4.92 0.52 -1.26 -1.13 118.95 126.48 1c01 s ARG 56 Ca -0.01 -0.21 -0.21 0.00 -0.52 0.00 0.00 55.73 54.79 1c01 s ARG 56 Cb -0.19 -3.74 0.03 0.00 0.52 0.00 0.00 34.95 31.58 1c01 s ARG 56 CO -0.08 -0.42 0.68 -0.06 0.02 0.00 0.00 175.30 175.44 1c01 s PHE 57 N 2.06 3.03 0.12 -0.53 0.08 -0.15 -4.89 117.98 117.70 1c01 s PHE 57 Ca 0.13 -0.17 0.07 0.00 0.12 0.00 0.00 56.93 57.08 1c01 s PHE 57 Cb -0.16 -3.49 -0.19 0.00 -0.57 0.00 0.00 43.02 38.61 1c01 s PHE 57 CO 0.11 -0.97 1.29 0.78 -0.10 0.00 0.00 175.22 176.33 1c01 h GLY 58 N 9.86 0.00 -3.19 4.36 0.00 -1.97 -3.00 103.07 109.13 1c01 h GLY 58 Ca -0.26 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1c01 h GLY 58 CO 0.94 0.00 -0.40 -0.45 0.00 0.00 0.00 176.54 176.63 1c01 s SER 59 N -6.71 0.15 -0.21 0.19 0.15 -1.26 -4.91 113.70 101.10 1c01 s SER 59 Ca 0.01 -0.68 -0.35 0.00 0.70 0.00 0.00 55.95 55.63 1c01 s SER 59 Cb 0.10 0.33 -0.16 0.00 -1.71 0.00 0.00 66.02 64.57 1c01 s SER 59 CO 0.82 -0.71 1.08 -1.54 1.20 0.00 0.00 173.24 174.09 1c01 n SER 60 N -0.02 0.51 -3.71 5.45 3.41 -1.26 -4.78 113.62 113.22 1c01 n SER 60 Ca -0.15 0.94 -0.29 0.00 -0.26 0.00 0.00 58.87 59.11 1c01 n SER 60 Cb 0.62 -0.72 -0.15 0.00 -0.26 0.00 0.00 64.21 63.70 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 1.27 1.34 -1.39 7.33 0.00 -0.40 -4.89 121.76 125.02 1c01 s ALA 61 Ca 0.79 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1c01 s ALA 61 Cb -1.12 -1.54 0.09 0.00 0.00 0.00 0.00 23.12 20.55 1c01 s ALA 61 CO 0.56 -1.60 2.16 2.89 0.00 0.00 0.00 175.76 179.77 1c01 n ARG 62 N 4.93 3.35 -2.16 0.00 1.85 -1.26 -0.22 116.66 123.14 1c01 n ARG 62 Ca -0.04 -2.99 -0.27 0.00 -1.00 0.00 0.00 57.85 53.55 1c01 n ARG 62 Cb 0.43 -3.06 0.06 0.00 -1.05 0.00 0.00 32.46 28.84 1c01 n ARG 62 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1c01 s ALA 63 N 1.69 3.09 0.00 2.89 0.00 0.22 -4.86 121.76 124.79 1c01 s ALA 63 Ca 0.46 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1c01 s ALA 63 Cb 0.13 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1c01 s ALA 63 CO -0.05 -1.27 0.34 0.00 0.00 0.00 0.00 175.76 174.78 1c01 s ASN 65 N -0.05 3.23 0.55 0.00 0.01 -1.26 -4.17 114.94 113.25 1c01 s ASN 65 Ca 0.00 1.62 -0.21 0.00 -0.71 0.00 0.00 52.86 53.56 1c01 s ASN 65 Cb 0.00 -2.28 -0.05 0.00 0.41 0.00 0.00 41.25 39.33 1c01 s ASN 65 CO 0.00 -2.81 1.19 -2.65 -1.51 0.00 0.00 177.10 171.32 1c01 n PRO 66 N -4.01 1.37 -0.66 -0.60 -0.02 -1.26 -4.05 135.00 125.78 1c01 n PRO 66 Ca 0.07 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 1c01 n PRO 66 Cb 0.54 -2.38 0.19 0.00 -0.02 0.00 0.00 33.50 31.83 1c01 n PRO 66 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1c01 s PHE 67 N -1.36 1.55 0.00 6.00 5.36 -1.06 -4.97 117.98 123.50 1c01 s PHE 67 Ca 0.72 1.65 0.00 0.00 -0.96 0.00 0.00 56.93 58.35 1c01 s PHE 67 Cb -0.43 -3.28 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 1c01 s PHE 67 CO 0.49 -3.07 0.62 0.41 -1.46 0.00 0.00 175.22 172.22 1c01 n GLY 68 N 0.35 0.65 0.00 13.12 0.00 -1.26 -5.01 105.19 113.04 1c01 n GLY 68 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1c01 n GLY 68 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c01 n TRP 69 N 0.00 0.00 0.00 1.61 8.01 -1.26 -4.67 117.44 121.13 1c01 n TRP 69 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1c01 n TRP 69 Cb 0.57 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.87 1c01 n TRP 69 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1c01 n LYS 70 N 0.00 0.00 -3.70 -0.99 4.81 -0.94 -4.80 118.16 112.54 1c01 n LYS 70 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1c01 n LYS 70 Cb 0.00 -0.47 -0.04 0.00 0.02 0.00 0.00 35.03 34.53 1c01 n LYS 70 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1c01 s SER 71 N -1.44 -0.24 0.02 3.14 1.04 -0.91 -1.68 113.70 113.64 1c01 s SER 71 Ca 0.00 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.06 1c01 s SER 71 Cb 0.00 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 1c01 s SER 71 CO 0.00 -0.95 -0.14 -0.51 0.98 0.00 0.00 173.24 172.62 1c01 s ILE 72 N -3.85 1.14 -0.11 -1.02 2.07 -0.39 -2.00 121.20 117.04 1c01 s ILE 72 Ca 0.07 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 58.45 1c01 s ILE 72 Cb 0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 1c01 s ILE 72 CO -0.07 0.13 -0.13 0.12 -1.91 0.00 0.00 174.94 173.08 1c01 s PHE 73 N -0.66 2.81 0.02 3.50 5.36 -0.22 -1.24 117.98 127.55 1c01 s PHE 73 Ca 0.03 -0.51 0.01 0.00 -0.96 0.00 0.00 56.93 55.50 1c01 s PHE 73 Cb -0.07 -1.81 -0.02 0.00 -0.34 0.00 0.00 43.02 40.79 1c01 s PHE 73 CO 0.01 -0.11 -0.04 0.42 -1.46 0.00 0.00 175.22 174.03 1c01 s ILE 74 N 0.12 0.28 0.63 3.12 1.01 -0.98 -1.50 121.20 123.87 1c01 s ILE 74 Ca -0.06 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 1c01 s ILE 74 Cb -0.15 -0.34 0.04 0.00 0.01 0.00 0.00 42.46 42.02 1c01 s ILE 74 CO 0.04 -0.28 0.91 -1.10 0.00 0.00 0.00 174.94 174.51 1c01 s GLN 75 N -1.03 2.44 0.00 2.79 -1.52 -1.20 -0.26 119.66 120.87 1c01 s GLN 75 Ca -0.08 -0.41 0.30 0.00 -1.95 0.00 0.00 55.36 53.22 1c01 s GLN 75 Cb -0.07 -2.30 1.81 0.00 -0.22 0.00 0.00 33.01 32.23 1c01 s GLN 75 CO -0.00 -0.96 2.14 0.00 -0.25 0.00 0.00 175.29 176.22