#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 -0.11 -0.54 -0.43 0.00 -0.68 -4.36 121.76 115.64 1c01 s ALA 2 Ca 0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 1c01 s ALA 2 Cb 0.00 -1.76 0.10 0.00 0.00 0.00 0.00 23.12 21.46 1c01 s ALA 2 CO 0.00 -1.83 0.57 0.12 0.00 0.00 0.00 175.76 174.61 1c01 s PHE 3 N 1.98 3.13 0.45 0.00 5.36 -0.81 -0.81 117.98 127.29 1c01 s PHE 3 Ca 0.12 -0.98 -0.11 0.00 -0.96 0.00 0.00 56.93 54.99 1c01 s PHE 3 Cb -0.16 -3.70 -0.06 0.00 -0.34 0.00 0.00 43.02 38.76 1c01 s PHE 3 CO -0.24 -1.07 0.84 0.99 -1.46 0.00 0.00 175.22 174.28 1c01 s THR 4 N 2.14 4.73 0.12 0.12 2.01 0.15 -0.45 115.64 124.46 1c01 s THR 4 Ca 0.08 0.74 -0.13 0.00 0.31 0.00 0.00 61.69 62.69 1c01 s THR 4 Cb -0.25 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.52 1c01 s THR 4 CO 0.06 -0.64 0.32 0.68 -0.69 0.00 0.00 174.62 174.36 1c01 s VAL 5 N -2.52 0.09 -0.08 3.82 -7.23 -0.50 -0.62 120.40 113.37 1c01 s VAL 5 Ca 0.53 -0.90 -0.08 0.00 -1.81 0.00 0.00 61.98 59.72 1c01 s VAL 5 Cb -0.10 -1.34 0.02 0.00 0.56 0.00 0.00 36.38 35.51 1c01 s VAL 5 CO 0.34 -0.42 0.21 0.26 -0.31 0.00 0.00 175.10 175.19 1c01 s TRP 6 N -3.85 -0.23 0.64 2.82 0.51 -0.03 -1.47 118.94 117.33 1c01 s TRP 6 Ca 0.06 0.57 0.32 0.00 -2.12 0.00 0.00 56.10 54.93 1c01 s TRP 6 Cb 0.03 0.08 1.78 0.00 -0.81 0.00 0.00 33.47 34.54 1c01 s TRP 6 CO -0.09 -0.12 2.04 0.77 -0.51 0.00 0.00 176.95 179.04 1c01 h SER 7 N 5.78 0.00 -4.78 2.95 0.02 -1.86 -0.94 113.55 114.73 1c01 h SER 7 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1c01 h SER 7 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1c01 h SER 7 CO 0.37 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.67 1c01 n GLY 8 N -1.26 3.19 0.10 -3.77 0.00 -1.26 -2.07 105.19 100.12 1c01 n GLY 8 Ca -0.00 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.11 0.00 1.61 0.13 -1.91 -3.42 132.00 128.30 1c01 h PRO 9 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1c01 h PRO 9 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1c01 h PRO 9 CO 0.00 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 178.55 1c01 n GLY 10 N 1.12 0.51 2.85 1.56 0.00 -1.26 -3.98 105.19 105.98 1c01 n GLY 10 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 2.06 -0.88 0.00 0.00 3.02 -1.26 -5.07 115.26 113.13 1c01 n ASN 12 Ca 0.21 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1c01 n ASN 12 Cb 0.36 0.99 0.00 0.00 -0.61 0.00 0.00 39.78 40.52 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 -2.97 0.00 -4.58 6.41 0.23 -1.26 -4.46 115.26 108.63 1c01 n ASN 13 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.82 1c01 n ASN 13 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 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 1.96 -0.31 -3.83 3.52 -1.26 -4.92 118.95 114.11 1c01 s ARG 14 Ca 0.00 -0.81 -0.28 0.00 -0.13 0.00 0.00 55.73 54.50 1c01 s ARG 14 Cb 0.00 -5.12 -0.02 0.00 -1.56 0.00 0.00 34.95 28.25 1c01 s ARG 14 CO 0.00 -4.57 1.81 0.00 -0.81 0.00 0.00 175.30 171.73 1c01 s ALA 15 N 13.43 2.90 0.32 6.12 0.00 -1.26 -3.95 121.76 139.33 1c01 s ALA 15 Ca 0.74 0.31 0.03 0.00 0.00 0.00 0.00 51.96 53.04 1c01 s ALA 15 Cb -0.03 -4.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.04 1c01 s ALA 15 CO 0.15 -2.58 0.10 -1.21 0.00 0.00 0.00 175.76 172.22 1c01 s GLU 16 N 5.61 1.65 0.10 0.00 2.02 -0.54 -5.01 118.70 122.53 1c01 s GLU 16 Ca 0.80 -1.94 -0.16 0.00 0.02 0.00 0.00 54.97 53.69 1c01 s GLU 16 Cb -0.23 -0.52 0.03 0.00 0.10 0.00 0.00 34.13 33.51 1c01 s GLU 16 CO 0.34 -0.33 0.40 0.50 0.02 0.00 0.00 175.26 176.19 1c01 s ARG 17 N -3.87 1.03 -0.46 1.61 3.52 -1.26 -1.40 118.95 118.11 1c01 s ARG 17 Ca 0.34 -0.63 0.04 0.00 -0.13 0.00 0.00 55.73 55.35 1c01 s ARG 17 Cb 0.06 0.45 0.17 0.00 -1.56 0.00 0.00 34.95 34.08 1c01 s ARG 17 CO 0.15 -0.39 0.36 0.71 -0.81 0.00 0.00 175.30 175.33 1c01 s TYR 18 N -3.47 1.48 -1.62 5.12 2.02 0.41 -4.89 117.35 116.39 1c01 s TYR 18 Ca 0.01 -2.48 0.14 0.00 -0.37 0.00 0.00 57.07 54.36 1c01 s TYR 18 Cb 0.01 -1.20 0.14 0.00 -0.40 0.00 0.00 41.96 40.51 1c01 s TYR 18 CO -0.10 -0.78 0.98 0.45 -1.57 0.00 0.00 175.55 174.53 1c01 n SER 19 N 2.71 2.26 -4.65 2.29 2.88 -1.26 -1.92 113.62 115.93 1c01 n SER 19 Ca 0.28 -1.62 -0.42 0.00 -1.33 0.00 0.00 58.87 55.78 1c01 n SER 19 Cb 0.46 -0.04 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 1c01 n SER 19 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1c01 s LYS 20 N -1.11 4.01 -0.46 -1.46 1.02 -1.26 -4.79 119.74 115.69 1c01 s LYS 20 Ca 0.17 2.46 -0.27 0.00 0.02 0.00 0.00 55.97 58.36 1c01 s LYS 20 Cb 0.12 -4.16 -0.05 0.00 -0.52 0.00 0.00 37.83 33.21 1c01 s LYS 20 CO 0.17 -1.09 2.25 0.00 -0.92 0.00 0.00 175.35 175.76 1c01 n GLY 22 N 5.88 0.23 3.05 0.00 0.00 -0.12 -4.85 105.19 109.38 1c01 n GLY 22 Ca 0.32 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.12 -0.75 0.27 0.00 1.04 -0.86 -4.97 113.70 106.30 1c01 s SER 24 Ca -0.05 1.44 -0.29 0.00 0.48 0.00 0.00 55.95 57.53 1c01 s SER 24 Cb -0.02 1.46 -0.09 0.00 0.10 0.00 0.00 66.02 67.47 1c01 s SER 24 CO -0.05 -0.25 0.97 0.00 0.98 0.00 0.00 173.24 174.89 1c01 s ALA 25 N 0.44 3.32 -0.13 5.32 0.00 -1.26 -0.90 121.76 128.54 1c01 s ALA 25 Ca -0.00 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.62 1c01 s ALA 25 Cb -0.05 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 1c01 s ALA 25 CO -0.00 0.13 -0.18 0.42 0.00 0.00 0.00 175.76 176.12 1c01 s ILE 26 N -1.27 2.47 -0.19 0.00 1.01 -0.33 -4.90 121.20 117.99 1c01 s ILE 26 Ca 0.44 -0.85 0.14 0.00 0.00 0.00 0.00 60.65 60.38 1c01 s ILE 26 Cb -0.26 -2.01 0.44 0.00 0.01 0.00 0.00 42.46 40.64 1c01 s ILE 26 CO 0.32 0.53 1.19 1.41 0.00 0.00 0.00 174.94 178.40 1c01 n HIS 27 N 3.83 0.66 -3.79 3.97 8.25 -1.26 -4.58 115.22 122.31 1c01 n HIS 27 Ca -0.19 -1.49 -0.36 0.00 -0.26 0.00 0.00 57.72 55.42 1c01 n HIS 27 Cb 0.52 -0.25 -0.12 0.00 1.12 0.00 0.00 29.99 31.27 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 -2.70 2.01 -0.10 -0.41 -1.52 -1.26 -4.94 119.66 110.75 1c01 s GLN 28 Ca 0.39 -1.88 0.08 0.00 -1.95 0.00 0.00 55.36 52.00 1c01 s GLN 28 Cb 0.38 -3.57 0.41 0.00 -0.22 0.00 0.00 33.01 30.00 1c01 s GLN 28 CO -0.07 -1.07 1.16 1.63 -0.25 0.00 0.00 175.29 176.69 1c01 n LYS 29 N 4.49 2.81 0.00 2.91 5.02 -1.26 -4.50 118.16 127.63 1c01 n LYS 29 Ca -0.01 -1.57 0.00 0.00 -2.02 0.00 0.00 58.31 54.71 1c01 n LYS 29 Cb 0.41 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.46 -0.08 3.45 0.72 0.00 -0.88 -3.84 105.19 105.01 1c01 n GLY 30 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.86 0.08 -0.28 -0.02 0.00 -0.38 -2.44 107.32 102.41 1c01 s GLY 31 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 44.72 44.11 1c01 s GLY 31 CO 0.00 -0.45 0.74 -2.52 0.00 0.00 0.00 173.10 170.86 1c01 s TYR 32 N -3.90 -0.94 0.28 1.90 -0.85 -0.56 -0.85 117.35 112.43 1c01 s TYR 32 Ca 0.11 1.96 0.07 0.00 -0.52 0.00 0.00 57.07 58.69 1c01 s TYR 32 Cb 0.01 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.85 1c01 s TYR 32 CO -0.03 -0.47 0.26 0.34 -1.52 0.00 0.00 175.55 174.14 1c01 s ASP 33 N 1.32 5.59 0.03 -0.18 2.15 0.21 -1.17 116.67 124.62 1c01 s ASP 33 Ca -0.08 -0.28 -0.03 0.00 0.43 0.00 0.00 52.55 52.59 1c01 s ASP 33 Cb -0.05 -1.33 -0.02 0.00 -0.30 0.00 0.00 42.92 41.23 1c01 s ASP 33 CO -0.15 -0.16 0.05 0.12 -0.17 0.00 0.00 175.17 174.86 1c01 s PHE 34 N -2.17 0.23 -0.18 -5.34 5.36 0.10 0.29 117.98 116.28 1c01 s PHE 34 Ca 0.36 -0.52 -0.04 0.00 -0.96 0.00 0.00 56.93 55.77 1c01 s PHE 34 Cb -0.08 -0.17 0.09 0.00 -0.34 0.00 0.00 43.02 42.52 1c01 s PHE 34 CO 0.26 -0.30 0.26 0.45 -1.46 0.00 0.00 175.22 174.44 1c01 s SER 35 N -1.89 0.78 -0.42 6.13 0.15 0.01 -1.21 113.70 117.24 1c01 s SER 35 Ca -0.09 0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.46 1c01 s SER 35 Cb -0.04 0.63 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1c01 s SER 35 CO -0.03 -0.29 1.11 -0.47 1.20 0.00 0.00 173.24 174.76 1c01 s TYR 36 N 2.40 2.94 0.08 3.44 5.04 -1.26 -0.26 117.35 129.73 1c01 s TYR 36 Ca 0.06 0.89 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1c01 s TYR 36 Cb -0.14 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.03 1c01 s TYR 36 CO -0.11 -1.07 0.00 2.41 -1.34 0.00 0.00 175.55 175.43 1c01 n THR 37 N 6.46 0.15 0.00 4.34 -1.04 -1.26 -4.68 114.28 118.26 1c01 n THR 37 Ca 0.12 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1c01 n THR 37 Cb 0.48 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 1c01 n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1c01 n GLY 38 N 2.23 -1.07 0.00 3.41 0.00 -1.26 -4.80 105.19 103.70 1c01 n GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1c01 n GLY 38 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1c01 n GLN 39 N -1.99 0.00 0.00 1.61 3.00 -1.26 -4.87 117.38 113.87 1c01 n GLN 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1c01 n GLN 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1c01 n GLN 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1c01 n THR 40 N 0.00 0.00 -3.61 5.09 -2.24 -1.26 -1.13 114.28 111.13 1c01 n THR 40 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1c01 n THR 40 Cb 0.00 -1.72 -0.07 0.00 -2.10 0.00 0.00 70.33 66.45 1c01 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c01 s ALA 41 N -3.72 -1.78 0.10 6.98 0.00 -1.22 -1.87 121.76 120.26 1c01 s ALA 41 Ca 0.00 1.88 0.08 0.00 0.00 0.00 0.00 51.96 53.93 1c01 s ALA 41 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1c01 s ALA 41 CO 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 175.76 175.25 1c01 s ALA 42 N 0.06 2.74 -0.39 0.00 0.00 -0.89 -0.96 121.76 122.32 1c01 s ALA 42 Ca -0.02 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 1c01 s ALA 42 Cb -0.04 -0.72 0.10 0.00 0.00 0.00 0.00 23.12 22.46 1c01 s ALA 42 CO 0.03 0.60 0.16 -0.51 0.00 0.00 0.00 175.76 176.04 1c01 s LEU 43 N -2.07 5.02 0.20 0.00 1.43 0.73 -0.43 118.68 123.56 1c01 s LEU 43 Ca 0.18 -1.94 -0.17 0.00 -1.03 0.00 0.00 54.13 51.17 1c01 s LEU 43 Cb -0.11 -1.79 -0.08 0.00 0.03 0.00 0.00 46.19 44.25 1c01 s LEU 43 CO 0.10 -0.49 0.65 -0.31 0.23 0.00 0.00 176.35 176.54 1c01 s TYR 44 N 1.13 3.62 -2.57 0.29 1.51 -0.42 -0.76 117.35 120.15 1c01 s TYR 44 Ca 0.07 1.25 0.27 0.00 -1.01 0.00 0.00 57.07 57.65 1c01 s TYR 44 Cb -0.22 -2.52 0.87 0.00 -0.11 0.00 0.00 41.96 39.98 1c01 s TYR 44 CO -0.04 0.36 1.64 -1.71 -1.11 0.00 0.00 175.55 174.69 1c01 n ASN 45 N 0.71 1.78 -4.54 2.29 5.15 -1.25 -0.69 115.26 118.71 1c01 n ASN 45 Ca -0.03 -1.58 -0.30 0.00 -0.60 0.00 0.00 54.58 52.07 1c01 n ASN 45 Cb 0.51 0.01 -0.11 0.00 -0.53 0.00 0.00 39.78 39.66 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 -2.02 2.11 0.26 1.20 -1.52 -1.26 -4.04 119.66 114.38 1c01 s GLN 46 Ca 0.36 -1.00 -0.31 0.00 -1.95 0.00 0.00 55.36 52.45 1c01 s GLN 46 Cb 0.21 -2.27 -0.12 0.00 -0.22 0.00 0.00 33.01 30.60 1c01 s GLN 46 CO 0.34 0.52 1.55 0.00 -0.25 0.00 0.00 175.29 177.44 1c01 n ALA 47 N 1.00 2.02 -2.45 6.09 0.00 -1.26 -1.94 120.51 123.96 1c01 n ALA 47 Ca -0.15 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 1c01 n ALA 47 Cb 0.52 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 2.46 -0.40 2.41 0.00 0.00 -1.26 -2.31 105.19 106.09 1c01 n GLY 48 Ca 0.11 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.82 8.15 0.00 0.00 2.88 -0.98 -4.73 113.62 117.13 1c01 n SER 50 Ca -0.18 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.31 1c01 n SER 50 Cb 0.63 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 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 2.03 2.92 2.92 0.46 0.00 -1.26 -4.76 105.19 107.50 1c01 n GLY 51 Ca 0.65 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.60 1c01 n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c01 s VAL 52 N 1.72 0.07 -0.10 1.61 1.01 -1.26 -5.05 120.40 118.40 1c01 s VAL 52 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1c01 s VAL 52 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 1c01 s VAL 52 CO 0.00 -0.20 1.34 0.00 0.00 0.00 0.00 175.10 176.24 1c01 s ALA 53 N -0.60 3.61 -0.10 5.51 0.00 -1.26 -3.90 121.76 125.03 1c01 s ALA 53 Ca -0.06 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 52.53 1c01 s ALA 53 Cb -0.04 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.46 1c01 s ALA 53 CO -0.00 -1.09 0.02 1.25 0.00 0.00 0.00 175.76 175.94 1c01 h HIS 54 N 8.21 -0.01 -3.98 0.00 6.17 -1.31 -3.47 115.15 120.75 1c01 h HIS 54 Ca -0.32 -0.00 -0.58 0.00 0.71 0.00 0.00 60.37 60.19 1c01 h HIS 54 Cb 1.14 0.00 -0.23 0.00 2.52 0.00 0.00 27.41 30.85 1c01 h HIS 54 CO 0.79 -0.01 -0.83 0.99 0.71 0.00 0.00 177.93 179.58 1c01 s THR 55 N -1.58 1.76 0.34 6.26 2.01 -1.24 -4.99 115.64 118.19 1c01 s THR 55 Ca -0.00 -1.49 0.03 0.00 0.31 0.00 0.00 61.69 60.54 1c01 s THR 55 Cb 0.00 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 1c01 s THR 55 CO 0.01 0.01 0.13 0.54 -0.69 0.00 0.00 174.62 174.62 1c01 n ARG 56 N 1.24 0.63 -4.03 4.92 1.74 -1.26 -0.19 116.66 119.71 1c01 n ARG 56 Ca -0.19 -2.86 -0.08 0.00 -0.77 0.00 0.00 57.85 53.96 1c01 n ARG 56 Cb 0.53 1.58 -0.10 0.00 -1.02 0.00 0.00 32.46 33.46 1c01 n ARG 56 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1c01 s PHE 57 N -2.83 0.40 0.00 -1.55 0.08 -0.13 -4.98 117.98 108.97 1c01 s PHE 57 Ca 0.18 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 56.36 1c01 s PHE 57 Cb 0.01 -0.29 0.00 0.00 -0.57 0.00 0.00 43.02 42.17 1c01 s PHE 57 CO 0.13 -0.37 0.00 0.41 -0.10 0.00 0.00 175.22 175.28 1c01 n GLY 58 N 0.36 0.81 3.29 4.36 0.00 -1.26 -3.39 105.19 109.37 1c01 n GLY 58 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1c01 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c01 s SER 59 N 0.00 -0.31 -0.46 1.61 0.01 -1.26 -4.84 113.70 108.44 1c01 s SER 59 Ca 0.00 0.37 -0.45 0.00 1.31 0.00 0.00 55.95 57.18 1c01 s SER 59 Cb 0.00 0.49 -0.19 0.00 0.21 0.00 0.00 66.02 66.53 1c01 s SER 59 CO 0.00 -0.38 1.74 -1.20 0.41 0.00 0.00 173.24 173.81 1c01 n SER 60 N 1.67 1.32 -4.07 2.44 7.64 -1.26 -4.59 113.62 116.77 1c01 n SER 60 Ca -0.19 1.06 -0.33 0.00 1.01 0.00 0.00 58.87 60.41 1c01 n SER 60 Cb 0.56 -0.93 -0.13 0.00 -1.01 0.00 0.00 64.21 62.70 1c01 n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c01 s ALA 61 N 3.77 3.03 -1.37 -0.43 0.00 -0.35 -4.91 121.76 121.50 1c01 s ALA 61 Ca 1.07 -2.55 -0.12 0.00 0.00 0.00 0.00 51.96 50.36 1c01 s ALA 61 Cb -1.42 -2.18 0.10 0.00 0.00 0.00 0.00 23.12 19.62 1c01 s ALA 61 CO 0.76 -1.75 2.04 0.54 0.00 0.00 0.00 175.76 177.35 1c01 n ARG 62 N 4.39 3.25 -2.76 0.00 1.74 -1.26 0.03 116.66 122.04 1c01 n ARG 62 Ca 0.01 -3.08 -0.24 0.00 -0.77 0.00 0.00 57.85 53.78 1c01 n ARG 62 Cb 0.42 -3.11 0.02 0.00 -1.02 0.00 0.00 32.46 28.77 1c01 n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c01 s ALA 63 N 1.78 3.64 0.00 7.54 0.00 -0.31 -4.89 121.76 129.51 1c01 s ALA 63 Ca 0.43 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.47 1c01 s ALA 63 Cb 0.12 -2.26 0.13 0.00 0.00 0.00 0.00 23.12 21.11 1c01 s ALA 63 CO -0.04 -0.56 0.96 0.00 0.00 0.00 0.00 175.76 176.12 1c01 s ASN 65 N -1.12 5.62 1.40 0.00 0.01 -1.21 -3.98 114.94 115.65 1c01 s ASN 65 Ca 0.10 -0.18 -0.22 0.00 -0.71 0.00 0.00 52.86 51.85 1c01 s ASN 65 Cb 0.12 -0.92 0.36 0.00 0.41 0.00 0.00 41.25 41.21 1c01 s ASN 65 CO -0.05 -0.81 0.95 -2.84 -1.51 0.00 0.00 177.10 172.84 1c01 s PRO 66 N -4.46 -2.76 0.00 -0.60 0.02 -1.02 -3.52 135.00 122.65 1c01 s PRO 66 Ca 0.53 0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.67 1c01 s PRO 66 Cb -0.10 -1.40 0.00 0.00 0.02 0.00 0.00 34.50 33.02 1c01 s PRO 66 CO 0.35 -4.76 0.00 1.97 -0.33 0.00 0.00 177.00 174.23 1c01 n PHE 67 N -5.55 0.00 -2.70 6.54 1.16 -1.26 -4.99 117.46 110.67 1c01 n PHE 67 Ca 0.13 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.64 1c01 n PHE 67 Cb 0.60 0.00 0.12 0.00 -1.61 0.00 0.00 39.48 38.59 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 0.00 1.40 3.17 4.97 0.00 -1.26 -5.09 105.19 108.38 1c01 n GLY 68 Ca 0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 0.06 1.49 -0.15 1.61 0.51 -1.26 -4.61 118.94 116.59 1c01 s TRP 69 Ca 0.21 -0.31 0.22 0.00 -2.12 0.00 0.00 56.10 54.10 1c01 s TRP 69 Cb 0.41 -0.93 -0.14 0.00 -0.81 0.00 0.00 33.47 32.00 1c01 s TRP 69 CO -0.09 0.01 0.80 1.17 -0.51 0.00 0.00 176.95 178.33 1c01 n LYS 70 N 2.35 0.63 -3.83 4.98 3.00 0.14 -4.72 118.16 120.71 1c01 n LYS 70 Ca -0.16 0.01 -0.07 0.00 -0.00 0.00 0.00 58.31 58.09 1c01 n LYS 70 Cb 0.54 -1.71 0.02 0.00 0.00 0.00 0.00 35.03 33.88 1c01 n LYS 70 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1c01 s SER 71 N -5.10 -0.01 -0.04 3.14 1.04 -0.69 -1.18 113.70 110.87 1c01 s SER 71 Ca -0.04 -1.02 -0.01 0.00 0.48 0.00 0.00 55.95 55.36 1c01 s SER 71 Cb 0.11 0.77 0.03 0.00 0.10 0.00 0.00 66.02 67.03 1c01 s SER 71 CO 0.84 -1.52 0.06 -0.51 0.98 0.00 0.00 173.24 173.09 1c01 s ILE 72 N -2.34 -0.10 -1.06 -1.02 2.07 -0.08 -1.30 121.20 117.37 1c01 s ILE 72 Ca 0.17 0.34 -0.15 0.00 -1.41 0.00 0.00 60.65 59.60 1c01 s ILE 72 Cb -0.05 -0.14 0.17 0.00 0.13 0.00 0.00 42.46 42.57 1c01 s ILE 72 CO 0.10 0.14 1.23 0.12 -1.91 0.00 0.00 174.94 174.62 1c01 s PHE 73 N 1.76 3.46 0.02 3.50 5.36 0.43 -2.03 117.98 130.48 1c01 s PHE 73 Ca -0.01 -1.90 -0.30 0.00 -0.96 0.00 0.00 56.93 53.76 1c01 s PHE 73 Cb -0.12 -4.22 -0.06 0.00 -0.34 0.00 0.00 43.02 38.28 1c01 s PHE 73 CO -0.03 -1.35 1.47 0.42 -1.46 0.00 0.00 175.22 174.26 1c01 s ILE 74 N 1.59 3.54 0.22 3.12 -1.09 0.17 -2.10 121.20 126.65 1c01 s ILE 74 Ca 0.36 0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 59.42 1c01 s ILE 74 Cb -0.05 -3.60 -0.09 0.00 -1.58 0.00 0.00 42.46 37.14 1c01 s ILE 74 CO -0.05 -0.00 1.21 -1.10 -1.23 0.00 0.00 174.94 173.76 1c01 s GLN 75 N 2.48 4.49 0.00 2.79 -1.52 -0.78 -0.94 119.66 126.17 1c01 s GLN 75 Ca 0.66 1.92 0.29 0.00 -1.95 0.00 0.00 55.36 56.28 1c01 s GLN 75 Cb -0.33 -3.21 1.19 0.00 -0.22 0.00 0.00 33.01 30.43 1c01 s GLN 75 CO 0.28 -0.07 1.82 0.00 -0.25 0.00 0.00 175.29 177.07