#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a57 n PHE 2 N 0.00 0.00 -0.97 0.00 3.01 -1.26 -4.84 117.46 113.40 1a57 n PHE 2 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1a57 n PHE 2 Cb 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.36 1a57 n PHE 2 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1a57 n ASP 3 N 0.00 -1.19 0.00 4.37 5.75 -0.94 -4.40 116.55 120.14 1a57 n ASP 3 Ca 0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 54.79 54.18 1a57 n ASP 3 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1a57 n ASP 3 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a57 n GLY 4 N 3.75 -2.00 3.96 6.12 0.00 -1.08 -4.95 105.19 110.98 1a57 n GLY 4 Ca 0.34 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 1a57 n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a57 s THR 5 N -2.08 2.29 -0.21 2.61 -4.23 -1.26 -2.61 115.64 110.15 1a57 s THR 5 Ca 0.00 -0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 60.03 1a57 s THR 5 Cb 0.00 -2.87 0.10 0.00 1.34 0.00 0.00 72.50 71.07 1a57 s THR 5 CO 0.00 0.00 0.41 0.26 -0.54 0.00 0.00 174.62 174.75 1a57 s TRP 6 N -3.18 -0.82 0.00 3.99 0.52 0.31 -4.56 118.94 115.20 1a57 s TRP 6 Ca 0.63 1.38 0.00 0.00 0.02 0.00 0.00 56.10 58.13 1a57 s TRP 6 Cb -0.08 0.25 0.00 0.00 -1.15 0.00 0.00 33.47 32.49 1a57 s TRP 6 CO 0.44 -0.54 0.00 1.63 0.02 0.00 0.00 176.95 178.50 1a57 n LYS 7 N 5.39 0.00 -2.98 4.98 5.02 0.05 0.14 118.16 130.75 1a57 n LYS 7 Ca -0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.21 1a57 n LYS 7 Cb 0.50 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1a57 n LYS 7 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1a57 n VAL 8 N -0.43 -5.88 0.00 -0.18 3.14 -1.26 -4.86 118.33 108.86 1a57 n VAL 8 Ca 0.00 1.05 0.00 0.00 -2.96 0.00 0.00 64.34 62.43 1a57 n VAL 8 Cb 0.00 -4.43 0.00 0.00 -1.06 0.00 0.00 33.84 28.35 1a57 n VAL 8 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1a57 n ASP 9 N 1.35 0.00 -4.34 6.55 8.00 -1.26 -5.08 116.55 121.76 1a57 n ASP 9 Ca -0.04 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.23 1a57 n ASP 9 Cb 0.30 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.28 1a57 n ASP 9 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1a57 s ARG 10 N 0.00 1.30 -0.20 -1.24 3.00 -1.26 -5.06 118.95 115.49 1a57 s ARG 10 Ca 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 55.73 54.35 1a57 s ARG 10 Cb 0.00 -1.43 -0.21 0.00 0.00 0.00 0.00 34.95 33.31 1a57 s ARG 10 CO 0.00 0.30 0.01 0.27 0.00 0.00 0.00 175.30 175.88 1a57 n ASN 11 N 0.38 1.75 -1.47 0.23 0.23 -1.26 -5.01 115.26 110.12 1a57 n ASN 11 Ca -0.14 -0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.91 1a57 n ASN 11 Cb 0.56 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 1a57 n ASN 11 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1a57 n GLU 12 N -3.26 1.71 -2.54 -3.83 1.02 -1.26 -5.02 120.64 107.47 1a57 n GLU 12 Ca -0.39 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.46 1a57 n GLU 12 Cb 1.03 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 32.44 1a57 n GLU 12 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1a57 n ASN 13 N -1.93 5.03 -3.53 1.62 2.85 -1.26 -4.96 115.26 113.08 1a57 n ASN 13 Ca 0.00 -3.72 -0.07 0.00 -0.11 0.00 0.00 54.58 50.67 1a57 n ASN 13 Cb 0.00 -0.57 -0.02 0.00 1.24 0.00 0.00 39.78 40.43 1a57 n ASN 13 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1a57 s TYR 14 N -3.61 -0.28 -0.06 1.20 5.04 -1.26 -5.16 117.35 113.22 1a57 s TYR 14 Ca 0.48 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.29 1a57 s TYR 14 Cb 0.37 0.53 0.02 0.00 0.35 0.00 0.00 41.96 43.23 1a57 s TYR 14 CO -0.20 -0.45 -0.04 -1.12 -1.34 0.00 0.00 175.55 172.40 1a57 s SER 15 N -2.40 1.38 0.00 4.32 0.01 -1.26 -4.92 113.70 110.83 1a57 s SER 15 Ca 0.06 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1a57 s SER 15 Cb -0.01 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1a57 s SER 15 CO -0.08 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1a57 n GLY 16 N 4.48 0.59 2.89 3.44 0.00 -1.26 -5.12 105.19 110.21 1a57 n GLY 16 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 1a57 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a57 s ALA 17 N -2.52 0.29 0.33 4.61 0.00 -1.26 -5.15 121.76 118.06 1a57 s ALA 17 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.83 1a57 s ALA 17 Cb 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1a57 s ALA 17 CO 0.00 0.02 0.60 -3.38 0.00 0.00 0.00 175.76 173.00 1a57 s HIS 18 N 0.32 0.52 -0.50 0.00 -3.43 -1.26 -5.12 115.29 105.82 1a57 s HIS 18 Ca -0.03 -0.94 0.07 0.00 -0.80 0.00 0.00 55.06 53.35 1a57 s HIS 18 Cb -0.06 0.33 0.21 0.00 -1.43 0.00 0.00 32.58 31.63 1a57 s HIS 18 CO -0.01 -1.26 0.75 -0.25 -2.00 0.00 0.00 174.74 171.97 1a57 n ASP 19 N -1.14 -2.94 0.00 7.38 8.00 -1.26 -5.15 116.55 121.44 1a57 n ASP 19 Ca -0.03 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.47 1a57 n ASP 19 Cb 0.61 1.53 0.00 0.00 -0.02 0.00 0.00 41.12 43.24 1a57 n ASP 19 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1a57 n ASN 20 N 2.46 0.24 -1.97 -2.24 4.13 -1.26 -4.97 115.26 111.65 1a57 n ASN 20 Ca 0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1a57 n ASN 20 Cb 0.58 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 1a57 n ASN 20 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1a57 n LEU 21 N 0.00 0.00 0.00 3.41 7.99 -1.26 -4.46 117.00 122.68 1a57 n LEU 21 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1a57 n LEU 21 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1a57 n LEU 21 CO 0.00 -0.42 0.00 0.29 -1.51 0.00 0.00 177.39 175.75 1a57 n LYS 22 N -0.84 0.00 -3.48 3.23 5.02 -1.26 -4.72 118.16 116.12 1a57 n LYS 22 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1a57 n LYS 22 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1a57 n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a57 s LEU 23 N 0.00 4.02 0.00 -0.35 1.43 0.37 -1.70 118.68 122.45 1a57 s LEU 23 Ca 0.00 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1a57 s LEU 23 Cb 0.00 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1a57 s LEU 23 CO 0.00 -0.33 0.00 0.41 0.23 0.00 0.00 176.35 176.66 1a57 n THR 24 N -1.72 0.00 -3.71 5.49 -1.04 -1.26 0.11 114.28 112.15 1a57 n THR 24 Ca -0.04 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.59 1a57 n THR 24 Cb 0.57 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.96 1a57 n THR 24 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1a57 s ILE 25 N 0.00 4.31 -0.49 12.58 1.09 -1.07 -3.77 121.20 133.85 1a57 s ILE 25 Ca 0.00 -0.46 0.05 0.00 -1.10 0.00 0.00 60.65 59.14 1a57 s ILE 25 Cb 0.00 -3.17 0.21 0.00 -1.06 0.00 0.00 42.46 38.44 1a57 s ILE 25 CO 0.00 0.13 0.82 0.41 -0.10 0.00 0.00 174.94 176.21 1a57 n THR 26 N 4.93 0.00 0.00 2.92 -1.04 -1.26 -2.21 114.28 117.62 1a57 n THR 26 Ca -0.15 -1.03 0.00 0.00 -2.04 0.00 0.00 64.05 60.83 1a57 n THR 26 Cb 0.49 1.09 0.00 0.00 -1.82 0.00 0.00 70.33 70.09 1a57 n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a57 n GLN 27 N 2.54 0.00 0.00 -2.82 1.13 -1.26 -4.85 117.38 112.12 1a57 n GLN 27 Ca 0.15 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 1a57 n GLN 27 Cb 0.59 -0.21 0.00 0.00 0.11 0.00 0.00 30.24 30.73 1a57 n GLN 27 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1a57 n GLU 28 N 0.00 3.38 0.00 -1.09 1.02 -1.26 -4.92 120.64 117.77 1a57 n GLU 28 Ca 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1a57 n GLU 28 Cb 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 1a57 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a57 n GLY 29 N 0.50 1.07 0.00 0.62 0.00 -1.26 -4.81 105.19 101.31 1a57 n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a57 n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a57 n ASN 30 N 0.00 2.51 -1.19 1.61 4.13 -1.26 -5.07 115.26 115.99 1a57 n ASN 30 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1a57 n ASN 30 Cb 0.00 0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 1a57 n ASN 30 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1a57 n LYS 31 N -1.29 2.01 -3.53 3.52 5.02 -1.26 -3.97 118.16 118.65 1a57 n LYS 31 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1a57 n LYS 31 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.23 1a57 n LYS 31 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1a57 s PHE 32 N 1.10 -0.35 -0.07 2.13 0.08 -0.96 -4.05 117.98 115.85 1a57 s PHE 32 Ca 0.00 0.36 -0.03 0.00 0.12 0.00 0.00 56.93 57.38 1a57 s PHE 32 Cb 0.00 0.51 0.04 0.00 -0.57 0.00 0.00 43.02 43.00 1a57 s PHE 32 CO 0.00 -0.47 0.16 -0.08 -0.10 0.00 0.00 175.22 174.73 1a57 s THR 33 N -2.41 -0.07 -0.23 0.64 -1.32 -1.26 -2.19 115.64 108.80 1a57 s THR 33 Ca 0.03 0.20 -0.22 0.00 -1.21 0.00 0.00 61.69 60.48 1a57 s THR 33 Cb -0.01 -0.26 -0.02 0.00 -1.51 0.00 0.00 72.50 70.70 1a57 s THR 33 CO -0.05 0.08 0.68 -0.69 -2.21 0.00 0.00 174.62 172.44 1a57 s VAL 34 N 1.30 4.96 0.52 5.08 1.01 -1.12 -3.77 120.40 128.38 1a57 s VAL 34 Ca -0.08 1.28 0.33 0.00 0.00 0.00 0.00 61.98 63.50 1a57 s VAL 34 Cb -0.12 -3.99 0.33 0.00 0.00 0.00 0.00 36.38 32.60 1a57 s VAL 34 CO -0.06 0.04 1.99 0.50 0.00 0.00 0.00 175.10 177.56 1a57 h LYS 35 N 7.67 0.00 -0.99 2.72 3.64 -1.78 -3.32 116.57 124.50 1a57 h LYS 35 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1a57 h LYS 35 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1a57 h LYS 35 CO 0.80 0.00 0.00 -1.91 -2.27 0.00 0.00 179.45 176.07 1a57 n GLU 36 N -2.81 -0.04 -2.23 1.90 0.00 -1.18 -4.60 120.64 111.69 1a57 n GLU 36 Ca -0.02 -0.02 -0.42 0.00 0.00 0.00 0.00 57.16 56.70 1a57 n GLU 36 Cb 0.24 0.04 -0.03 0.00 0.00 0.00 0.00 31.44 31.68 1a57 n GLU 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1a57 s SER 37 N -0.47 6.87 0.00 4.31 0.01 -0.69 -4.67 113.70 119.06 1a57 s SER 37 Ca 0.00 2.19 0.00 0.00 1.31 0.00 0.00 55.95 59.45 1a57 s SER 37 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1a57 s SER 37 CO 0.00 -0.66 0.00 -0.24 0.41 0.00 0.00 173.24 172.75 1a57 n SER 38 N 4.57 1.36 0.17 2.44 2.88 -0.00 -4.23 113.62 120.81 1a57 n SER 38 Ca 0.12 -0.85 0.05 0.00 -1.33 0.00 0.00 58.87 56.86 1a57 n SER 38 Cb 0.43 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.12 1a57 n SER 38 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1a57 h ASN 39 N 0.00 0.00 -1.48 -3.46 2.35 -1.93 -3.21 115.58 107.86 1a57 h ASN 39 Ca 0.00 0.00 -0.76 0.00 -0.55 0.00 0.00 56.30 54.99 1a57 h ASN 39 Cb 0.00 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.21 1a57 h ASN 39 CO 0.00 0.42 1.96 0.49 -1.65 0.00 0.00 177.43 178.66 1a57 n PHE 40 N -3.39 2.83 -1.40 1.19 3.72 -1.26 -4.94 117.46 114.21 1a57 n PHE 40 Ca 0.01 -2.77 0.19 0.00 -0.05 0.00 0.00 57.45 54.83 1a57 n PHE 40 Cb 0.60 -1.88 -0.05 0.00 -0.94 0.00 0.00 39.48 37.20 1a57 n PHE 40 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1a57 n ARG 41 N 3.48 -2.88 -0.05 -1.08 3.00 -1.21 -4.38 116.66 113.53 1a57 n ARG 41 Ca 0.40 1.96 -0.14 0.00 -0.01 0.00 0.00 57.85 60.06 1a57 n ARG 41 Cb 0.35 -3.49 -0.07 0.00 0.00 0.00 0.00 32.46 29.25 1a57 n ARG 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1a57 h ASN 42 N -1.31 0.53 -3.70 0.55 2.35 -1.89 0.03 115.58 112.14 1a57 h ASN 42 Ca 0.00 -0.56 0.28 0.00 -0.55 0.00 0.00 56.30 55.47 1a57 h ASN 42 Cb 1.29 -0.15 -0.15 0.00 0.05 0.00 0.00 38.32 39.36 1a57 h ASN 42 CO 0.02 0.99 -0.99 0.00 -1.65 0.00 0.00 177.43 175.80 1a57 n ILE 43 N -4.38 -0.69 -4.14 2.81 3.06 -1.26 -3.58 119.36 111.18 1a57 n ILE 43 Ca -0.07 0.73 -0.16 0.00 -2.50 0.00 0.00 62.75 60.75 1a57 n ILE 43 Cb 0.48 -1.11 -0.15 0.00 0.54 0.00 0.00 39.64 39.40 1a57 n ILE 43 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 1a57 s ASP 44 N -6.61 0.62 -0.53 9.51 1.01 -1.26 -4.64 116.67 114.77 1a57 s ASP 44 Ca 0.00 -0.09 0.04 0.00 0.71 0.00 0.00 52.55 53.20 1a57 s ASP 44 Cb 0.00 -0.11 0.15 0.00 1.01 0.00 0.00 42.92 43.96 1a57 s ASP 44 CO 0.00 0.04 0.32 -0.69 0.21 0.00 0.00 175.17 175.05 1a57 s VAL 45 N 0.05 2.03 0.30 -1.27 1.01 -1.25 -5.03 120.40 116.24 1a57 s VAL 45 Ca -0.00 -3.22 0.07 0.00 0.00 0.00 0.00 61.98 58.83 1a57 s VAL 45 Cb -0.04 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1a57 s VAL 45 CO -0.00 -0.92 0.35 0.54 0.00 0.00 0.00 175.10 175.06 1a57 s VAL 46 N -0.31 4.26 -0.08 2.92 0.11 -1.26 -2.81 120.40 123.23 1a57 s VAL 46 Ca 0.21 -1.17 -0.31 0.00 -2.93 0.00 0.00 61.98 57.78 1a57 s VAL 46 Cb -0.17 -3.45 0.08 0.00 -1.53 0.00 0.00 36.38 31.31 1a57 s VAL 46 CO -0.06 -0.24 0.75 0.72 -3.33 0.00 0.00 175.10 172.95 1a57 s PHE 47 N -2.16 -0.60 -0.63 1.54 -0.71 -0.93 -5.03 117.98 109.46 1a57 s PHE 47 Ca 0.39 1.04 -0.04 0.00 -1.04 0.00 0.00 56.93 57.29 1a57 s PHE 47 Cb -0.08 0.41 0.11 0.00 -1.21 0.00 0.00 43.02 42.25 1a57 s PHE 47 CO 0.28 -0.54 2.61 -1.91 -1.34 0.00 0.00 175.22 174.32 1a57 n GLU 48 N 0.92 2.81 -3.02 1.99 2.13 -1.26 -2.26 120.64 121.96 1a57 n GLU 48 Ca -0.17 -2.70 -0.01 0.00 0.66 0.00 0.00 57.16 54.95 1a57 n GLU 48 Cb 0.57 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1a57 n GLU 48 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1a57 n LEU 49 N 0.78 -5.28 -1.52 4.31 0.00 -1.26 -4.44 117.00 109.60 1a57 n LEU 49 Ca 0.51 0.78 -0.01 0.00 0.00 0.00 0.00 56.01 57.30 1a57 n LEU 49 Cb 0.47 -2.27 0.00 0.00 0.00 0.00 0.00 43.42 41.62 1a57 n LEU 49 CO 0.40 -2.08 0.00 0.61 0.00 0.00 0.00 177.39 176.32 1a57 n GLY 50 N 1.02 0.81 0.04 -3.96 0.00 0.75 -4.78 105.19 99.06 1a57 n GLY 50 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 1a57 n GLY 50 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1a57 n VAL 51 N -1.52 0.51 -0.80 1.61 3.14 -1.26 -4.98 118.33 115.03 1a57 n VAL 51 Ca -0.00 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 1a57 n VAL 51 Cb 0.50 -0.81 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 1a57 n VAL 51 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1a57 n ASP 52 N -2.38 -4.89 0.00 6.55 2.03 -1.26 -4.99 116.55 111.61 1a57 n ASP 52 Ca -0.13 0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1a57 n ASP 52 Cb 0.73 -1.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 1a57 n ASP 52 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1a57 n PHE 53 N -0.77 0.00 -4.52 -0.67 -1.74 -0.19 -4.98 117.46 104.59 1a57 n PHE 53 Ca 0.00 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.55 1a57 n PHE 53 Cb 0.00 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 40.89 1a57 n PHE 53 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1a57 s ALA 54 N -1.60 3.04 -0.28 1.98 0.00 -1.26 -0.71 121.76 122.93 1a57 s ALA 54 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 1a57 s ALA 54 Cb 0.00 -1.36 0.14 0.00 0.00 0.00 0.00 23.12 21.90 1a57 s ALA 54 CO 0.00 0.48 0.31 -0.47 0.00 0.00 0.00 175.76 176.08 1a57 s TYR 55 N -0.51 -0.52 -0.80 0.00 6.14 -1.26 -4.97 117.35 115.42 1a57 s TYR 55 Ca 0.08 -0.08 -0.25 0.00 0.64 0.00 0.00 57.07 57.46 1a57 s TYR 55 Cb -0.12 -0.41 -0.01 0.00 0.42 0.00 0.00 41.96 41.84 1a57 s TYR 55 CO 0.02 -0.91 1.74 -1.12 0.64 0.00 0.00 175.55 175.92 1a57 s SER 56 N 2.38 5.55 0.00 4.32 0.01 -1.26 -3.81 113.70 120.90 1a57 s SER 56 Ca 0.09 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1a57 s SER 56 Cb -0.14 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1a57 s SER 56 CO -0.31 -2.29 0.00 -0.11 0.41 0.00 0.00 173.24 170.93 1a57 n LEU 57 N 12.09 0.95 -0.01 2.44 7.94 -1.26 -4.46 117.00 134.70 1a57 n LEU 57 Ca 0.27 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 1a57 n LEU 57 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1a57 n LEU 57 CO 0.66 0.00 0.11 0.00 -1.11 0.00 0.00 177.39 177.05 1a57 n ALA 58 N -2.13 1.72 -0.99 1.96 0.00 -1.26 -4.72 120.51 115.09 1a57 n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a57 n ALA 58 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1a57 n ALA 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a57 n ASP 59 N -0.49 -3.85 -2.55 0.00 2.03 -1.26 -4.68 116.55 105.75 1a57 n ASP 59 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1a57 n ASP 59 Cb 0.00 -1.55 0.08 0.00 -0.72 0.00 0.00 41.12 38.93 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a57 n GLY 60 N -1.57 0.79 0.00 0.27 0.00 -1.26 -5.03 105.19 98.38 1a57 n GLY 60 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1a57 n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a57 n THR 61 N -0.76 0.00 -2.86 2.61 -2.24 -1.26 -5.07 114.28 104.70 1a57 n THR 61 Ca -0.12 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.65 1a57 n THR 61 Cb 0.77 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1a57 n THR 61 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1a57 n GLU 62 N -0.11 -1.36 -3.70 -0.78 4.07 -1.25 -4.45 120.64 113.06 1a57 n GLU 62 Ca 0.00 1.50 -0.28 0.00 -0.06 0.00 0.00 57.16 58.33 1a57 n GLU 62 Cb 0.00 -5.30 -0.10 0.00 -0.06 0.00 0.00 31.44 25.98 1a57 n GLU 62 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1a57 n LEU 63 N -1.42 3.23 -4.46 4.31 4.32 -1.25 -2.64 117.00 119.09 1a57 n LEU 63 Ca 0.02 -5.29 -0.54 0.00 -0.02 0.00 0.00 56.01 50.19 1a57 n LEU 63 Cb 0.48 -0.69 -0.08 0.00 -1.62 0.00 0.00 43.42 41.52 1a57 n LEU 63 CO 0.46 1.88 1.70 0.41 -1.22 0.00 0.00 177.39 180.63 1a57 n THR 64 N 1.53 0.18 -4.04 -5.08 -1.04 -1.24 -4.43 114.28 100.16 1a57 n THR 64 Ca 0.24 -0.17 -0.03 0.00 -2.04 0.00 0.00 64.05 62.05 1a57 n THR 64 Cb 0.38 -1.36 -0.01 0.00 -1.82 0.00 0.00 70.33 67.52 1a57 n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a57 n GLY 65 N 6.31 3.87 0.00 3.41 0.00 0.11 -3.66 105.19 115.24 1a57 n GLY 65 Ca 0.41 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1a57 n GLY 65 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a57 n THR 66 N -0.09 0.00 -3.71 2.61 5.66 -1.26 -1.02 114.28 116.47 1a57 n THR 66 Ca 0.01 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.78 1a57 n THR 66 Cb 0.09 0.00 -0.18 0.00 -1.55 0.00 0.00 70.33 68.69 1a57 n THR 66 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1a57 s TRP 67 N 0.00 0.41 -0.44 1.09 0.52 -1.26 -3.51 118.94 115.75 1a57 s TRP 67 Ca 0.00 -0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.05 1a57 s TRP 67 Cb 0.00 -0.68 0.49 0.00 -1.15 0.00 0.00 33.47 32.13 1a57 s TRP 67 CO 0.00 -0.32 1.86 0.25 0.02 0.00 0.00 176.95 178.76 1a57 n THR 68 N 5.21 3.03 0.00 2.01 -2.24 -1.25 -0.18 114.28 120.86 1a57 n THR 68 Ca -0.06 -1.93 0.00 0.00 -2.27 0.00 0.00 64.05 59.79 1a57 n THR 68 Cb 0.50 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1a57 n THR 68 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1a57 n MET 69 N -0.74 0.00 -0.12 -0.78 1.56 -1.26 -4.80 117.12 110.98 1a57 n MET 69 Ca 0.51 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.84 1a57 n MET 69 Cb 1.17 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 36.52 1a57 n MET 69 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1a57 h GLU 70 N 0.00 0.59 0.00 2.12 4.81 -1.95 -3.46 114.58 116.69 1a57 h GLU 70 Ca 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1a57 h GLU 70 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1a57 h GLU 70 CO 0.00 0.67 0.00 0.41 -0.73 0.00 0.00 179.01 179.36 1a57 n GLY 71 N -0.48 0.91 1.52 1.92 0.00 -1.26 -4.92 105.19 102.88 1a57 n GLY 71 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.96 1a57 n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a57 n ASN 72 N 0.00 0.82 -4.15 1.61 0.23 -1.26 -2.92 115.26 109.59 1a57 n ASN 72 Ca 0.00 -2.00 -0.11 0.00 -0.53 0.00 0.00 54.58 51.93 1a57 n ASN 72 Cb 0.00 -0.24 -0.10 0.00 -2.08 0.00 0.00 39.78 37.35 1a57 n ASN 72 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1a57 s LYS 73 N -0.18 0.77 -0.42 -3.83 1.02 -1.26 -2.55 119.74 113.28 1a57 s LYS 73 Ca 0.30 -1.19 0.10 0.00 0.02 0.00 0.00 55.97 55.20 1a57 s LYS 73 Cb 0.35 -0.25 0.35 0.00 -0.52 0.00 0.00 37.83 37.75 1a57 s LYS 73 CO -0.15 0.01 0.78 1.28 -0.92 0.00 0.00 175.35 176.35 1a57 n LEU 74 N 0.34 1.76 -4.49 3.17 4.77 0.64 -3.74 117.00 119.44 1a57 n LEU 74 Ca -0.15 -5.18 -0.43 0.00 -0.03 0.00 0.00 56.01 50.23 1a57 n LEU 74 Cb 0.59 0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 42.05 1a57 n LEU 74 CO 0.28 2.31 1.10 -0.69 -1.33 0.00 0.00 177.39 179.05 1a57 s VAL 75 N -2.94 4.29 0.00 4.08 1.01 -1.26 -3.42 120.40 122.16 1a57 s VAL 75 Ca 0.42 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1a57 s VAL 75 Cb 0.33 -4.86 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1a57 s VAL 75 CO -0.10 -1.67 0.00 0.61 0.00 0.00 0.00 175.10 173.95 1a57 n GLY 76 N 5.86 3.24 3.49 4.51 0.00 -1.26 -3.97 105.19 117.06 1a57 n GLY 76 Ca 0.18 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1a57 n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a57 s LYS 77 N 1.34 0.30 0.29 1.61 2.20 -1.23 -4.60 119.74 119.65 1a57 s LYS 77 Ca 0.00 0.65 0.07 0.00 -0.36 0.00 0.00 55.97 56.33 1a57 s LYS 77 Cb 0.00 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 1a57 s LYS 77 CO 0.00 -0.09 0.24 -0.06 -0.36 0.00 0.00 175.35 175.09 1a57 s PHE 78 N 1.98 3.00 -0.29 4.03 0.08 -1.25 -4.01 117.98 121.53 1a57 s PHE 78 Ca -0.05 -0.20 -0.17 0.00 0.12 0.00 0.00 56.93 56.63 1a57 s PHE 78 Cb -0.05 -1.59 0.14 0.00 -0.57 0.00 0.00 43.02 40.95 1a57 s PHE 78 CO -0.16 0.36 0.95 0.21 -0.10 0.00 0.00 175.22 176.48 1a57 s LYS 79 N -3.92 0.42 -1.09 0.44 2.36 -1.24 -0.69 119.74 116.03 1a57 s LYS 79 Ca 0.37 0.71 -0.20 0.00 -2.55 0.00 0.00 55.97 54.30 1a57 s LYS 79 Cb -0.07 0.10 0.08 0.00 -1.05 0.00 0.00 37.83 36.89 1a57 s LYS 79 CO 0.26 -0.09 1.47 0.50 1.55 0.00 0.00 175.35 179.04 1a57 s ARG 80 N 1.27 3.73 0.48 4.03 3.52 -1.25 -3.66 118.95 127.07 1a57 s ARG 80 Ca -0.08 -1.57 0.36 0.00 -0.13 0.00 0.00 55.73 54.31 1a57 s ARG 80 Cb -0.04 -5.31 1.52 0.00 -1.56 0.00 0.00 34.95 29.56 1a57 s ARG 80 CO -0.15 -2.11 1.63 0.28 -0.81 0.00 0.00 175.30 174.14 1a57 h VAL 81 N 6.16 0.13 -0.45 7.11 2.07 -1.72 1.04 116.25 130.59 1a57 h VAL 81 Ca 0.26 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.81 1a57 h VAL 81 Cb 0.97 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1a57 h VAL 81 CO 1.37 0.01 0.20 0.44 0.02 0.00 0.00 177.57 179.61 1a57 h ASP 82 N 0.06 0.26 -0.01 0.57 5.19 -1.81 -3.01 116.42 117.67 1a57 h ASP 82 Ca 0.82 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 57.27 1a57 h ASP 82 Cb 2.84 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 42.34 1a57 h ASP 82 CO -0.26 0.19 -0.36 0.59 -3.12 0.00 0.00 179.24 176.27 1a57 n ASN 83 N -4.95 1.34 -1.19 6.45 4.13 0.33 -4.93 115.26 116.44 1a57 n ASN 83 Ca 0.03 -1.17 -0.05 0.00 1.68 0.00 0.00 54.58 55.08 1a57 n ASN 83 Cb 0.14 0.57 0.02 0.00 -1.54 0.00 0.00 39.78 38.96 1a57 n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a57 n GLY 84 N 1.12 0.59 0.00 7.41 0.00 0.61 -5.00 105.19 109.92 1a57 n GLY 84 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1a57 n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a57 n LYS 85 N -1.46 0.00 -0.20 1.61 3.00 -0.92 -5.01 118.16 115.18 1a57 n LYS 85 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1a57 n LYS 85 Cb 0.52 -0.39 0.00 0.00 0.00 0.00 0.00 35.03 35.16 1a57 n LYS 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1a57 n GLU 86 N -0.50 0.00 -2.69 1.64 -0.58 -1.26 -4.20 120.64 113.04 1a57 n GLU 86 Ca 0.00 0.20 -0.07 0.00 -0.42 0.00 0.00 57.16 56.87 1a57 n GLU 86 Cb 0.00 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 30.96 1a57 n GLU 86 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1a57 n LEU 87 N -0.03 -0.76 -4.62 -4.62 -0.00 0.13 -3.98 117.00 103.13 1a57 n LEU 87 Ca 0.00 -3.48 -0.43 0.00 -0.00 0.00 0.00 56.01 52.10 1a57 n LEU 87 Cb 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 1a57 n LEU 87 CO 0.00 1.74 0.63 -0.38 -0.00 0.00 0.00 177.39 179.38 1a57 n ILE 88 N -0.55 2.22 -2.65 1.47 5.41 -0.70 -4.36 119.36 120.21 1a57 n ILE 88 Ca -0.01 -0.50 -0.38 0.00 1.00 0.00 0.00 62.75 62.87 1a57 n ILE 88 Cb 0.84 -1.17 0.01 0.00 -0.71 0.00 0.00 39.64 38.61 1a57 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1a57 n ALA 89 N -0.14 5.80 -1.77 -1.39 0.00 -1.23 0.16 120.51 121.94 1a57 n ALA 89 Ca 0.09 -4.59 -0.39 0.00 0.00 0.00 0.00 53.44 48.55 1a57 n ALA 89 Cb 0.36 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 1a57 n ALA 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a57 s VAL 90 N -4.45 3.17 0.14 0.00 1.01 -0.90 -4.66 120.40 114.70 1a57 s VAL 90 Ca 0.42 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1a57 s VAL 90 Cb 0.23 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1a57 s VAL 90 CO -0.15 -0.33 0.12 -1.14 0.00 0.00 0.00 175.10 173.60 1a57 n ARG 91 N 8.95 0.18 0.00 2.72 0.00 -1.22 -3.96 116.66 123.32 1a57 n ARG 91 Ca 0.29 -1.36 0.00 0.00 -0.00 0.00 0.00 57.85 56.78 1a57 n ARG 91 Cb 0.52 1.13 0.00 0.00 0.00 0.00 0.00 32.46 34.11 1a57 n ARG 91 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1a57 n GLU 92 N -0.26 0.00 -1.49 -0.14 0.28 -1.26 -0.26 120.64 117.51 1a57 n GLU 92 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.62 1a57 n GLU 92 Cb 0.25 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 32.97 1a57 n GLU 92 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1a57 n ILE 93 N 0.00 0.00 -0.01 3.84 0.13 -1.06 -4.80 119.36 117.47 1a57 n ILE 93 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1a57 n ILE 93 Cb 0.00 -0.50 -0.00 0.00 -0.84 0.00 0.00 39.64 38.30 1a57 n ILE 93 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1a57 h SER 94 N 11.89 0.00 0.00 9.51 0.02 -1.88 -3.47 113.55 129.62 1a57 h SER 94 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1a57 h SER 94 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1a57 h SER 94 CO 1.38 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.74 1a57 n GLY 95 N 1.84 0.69 2.55 -3.77 0.00 -1.26 -4.88 105.19 100.36 1a57 n GLY 95 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1a57 n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a57 n ASN 96 N 0.00 1.06 0.00 1.61 5.15 -1.26 -5.00 115.26 116.82 1a57 n ASN 96 Ca 0.00 -2.79 0.00 0.00 -0.60 0.00 0.00 54.58 51.19 1a57 n ASN 96 Cb 0.00 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1a57 n GLU 97 N 0.00 0.00 0.00 1.20 -0.00 -1.26 -4.62 120.64 115.96 1a57 n GLU 97 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.28 1a57 n GLU 97 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.22 1a57 n GLU 97 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1a57 n LEU 98 N 0.00 0.00 0.00 -1.84 0.00 -1.26 -4.63 117.00 109.27 1a57 n LEU 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1a57 n LEU 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1a57 n LEU 98 CO 0.00 0.00 0.44 -0.38 0.00 0.00 0.00 177.39 177.45 1a57 n ILE 99 N 0.00 0.00 -1.52 1.96 -0.00 -1.26 -4.55 119.36 113.99 1a57 n ILE 99 Ca 0.00 1.39 -0.00 0.00 -0.00 0.00 0.00 62.75 64.14 1a57 n ILE 99 Cb 0.00 -2.10 -0.00 0.00 -0.00 0.00 0.00 39.64 37.54 1a57 n ILE 99 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1a57 n GLN 100 N -2.18 -0.22 -3.75 0.38 -0.06 -1.26 -4.36 117.38 105.93 1a57 n GLN 100 Ca 0.00 0.64 -0.37 0.00 -2.00 0.00 0.00 57.00 55.28 1a57 n GLN 100 Cb 0.00 -1.16 -0.12 0.00 -4.06 0.00 0.00 30.24 24.90 1a57 n GLN 100 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1a57 s THR 101 N -0.03 4.34 -1.20 1.69 2.01 -1.25 -3.60 115.64 117.60 1a57 s THR 101 Ca -0.01 -0.18 -0.17 0.00 0.31 0.00 0.00 61.69 61.64 1a57 s THR 101 Cb 0.00 -3.04 0.11 0.00 0.01 0.00 0.00 72.50 69.58 1a57 s THR 101 CO 0.04 0.32 1.54 -0.31 -0.69 0.00 0.00 174.62 175.52 1a57 s TYR 102 N 1.62 3.07 -0.60 4.92 2.02 -1.25 -2.12 117.35 125.00 1a57 s TYR 102 Ca 0.06 -1.73 -0.26 0.00 -0.37 0.00 0.00 57.07 54.77 1a57 s TYR 102 Cb -0.15 -4.54 -0.05 0.00 -0.40 0.00 0.00 41.96 36.83 1a57 s TYR 102 CO 0.04 -1.63 2.09 0.99 -1.57 0.00 0.00 175.55 175.47 1a57 s THR 103 N 3.12 3.22 -0.24 -0.71 2.01 0.42 -4.36 115.64 119.10 1a57 s THR 103 Ca 0.47 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.48 1a57 s THR 103 Cb 0.00 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1a57 s THR 103 CO 0.02 -0.56 0.04 -0.47 -0.69 0.00 0.00 174.62 172.96 1a57 s TYR 104 N 10.57 3.05 0.00 4.92 5.04 -0.95 -1.72 117.35 138.27 1a57 s TYR 104 Ca 0.79 -0.54 0.00 0.00 -2.44 0.00 0.00 57.07 54.88 1a57 s TYR 104 Cb -0.14 -2.20 0.00 0.00 0.35 0.00 0.00 41.96 39.98 1a57 s TYR 104 CO 0.20 -0.40 0.00 -1.91 -1.34 0.00 0.00 175.55 172.10 1a57 n GLU 105 N 4.85 -0.14 0.00 4.97 2.13 -1.26 0.14 120.64 131.34 1a57 n GLU 105 Ca -0.17 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.58 1a57 n GLU 105 Cb 0.51 0.12 0.00 0.00 0.27 0.00 0.00 31.44 32.35 1a57 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a57 n GLY 106 N -0.18 1.10 3.04 8.31 0.00 -1.26 -5.10 105.19 111.09 1a57 n GLY 106 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1a57 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a57 s VAL 107 N -2.00 0.08 -0.68 1.61 1.01 0.38 -5.07 120.40 115.73 1a57 s VAL 107 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1a57 s VAL 107 Cb 0.00 -0.32 0.28 0.00 0.00 0.00 0.00 36.38 36.34 1a57 s VAL 107 CO 0.00 -0.36 0.89 -0.62 0.00 0.00 0.00 175.10 175.01 1a57 n GLU 108 N 1.77 2.96 -3.31 2.72 1.02 -1.26 -2.23 120.64 122.31 1a57 n GLU 108 Ca -0.21 -4.71 -0.46 0.00 -0.02 0.00 0.00 57.16 51.75 1a57 n GLU 108 Cb 0.56 -2.28 -0.04 0.00 -0.02 0.00 0.00 31.44 29.65 1a57 n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a57 s ALA 109 N -2.80 3.77 0.74 0.62 0.00 -1.26 -5.01 121.76 117.82 1a57 s ALA 109 Ca 0.41 -2.76 -0.03 0.00 0.00 0.00 0.00 51.96 49.58 1a57 s ALA 109 Cb 0.17 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 20.07 1a57 s ALA 109 CO -0.03 -2.10 1.02 0.15 0.00 0.00 0.00 175.76 174.80 1a57 s LYS 110 N 1.20 1.66 -0.11 0.00 1.02 -1.26 -3.83 119.74 118.42 1a57 s LYS 110 Ca 0.07 -0.93 -0.02 0.00 0.02 0.00 0.00 55.97 55.12 1a57 s LYS 110 Cb -0.24 -2.27 0.04 0.00 -0.52 0.00 0.00 37.83 34.83 1a57 s LYS 110 CO -0.00 -1.49 0.01 1.03 -0.92 0.00 0.00 175.35 173.97 1a57 s ARG 111 N -5.21 0.63 -0.12 1.68 0.52 -1.24 -5.00 118.95 110.21 1a57 s ARG 111 Ca 0.66 -0.04 -0.25 0.00 -0.52 0.00 0.00 55.73 55.59 1a57 s ARG 111 Cb -0.06 -1.29 -0.02 0.00 0.52 0.00 0.00 34.95 34.10 1a57 s ARG 111 CO 0.45 -0.39 0.78 -1.50 0.02 0.00 0.00 175.30 174.66 1a57 s ILE 112 N 1.94 4.95 0.00 1.52 2.07 -1.26 -4.54 121.20 125.88 1a57 s ILE 112 Ca 0.03 1.57 0.00 0.00 -1.41 0.00 0.00 60.65 60.84 1a57 s ILE 112 Cb -0.14 -4.10 0.00 0.00 0.13 0.00 0.00 42.46 38.35 1a57 s ILE 112 CO -0.06 0.12 0.00 0.49 -1.91 0.00 0.00 174.94 173.58 1a57 n PHE 113 N 4.58 0.00 -0.24 3.50 3.72 -1.26 -5.11 117.46 122.65 1a57 n PHE 113 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1a57 n PHE 113 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1a57 n PHE 113 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1a57 n LYS 114 N 0.00 0.00 0.00 -1.08 0.00 -1.26 -4.64 118.16 111.18 1a57 n LYS 114 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1a57 n LYS 114 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1a57 n LYS 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1a57 n LYS 115 N 0.00 0.13 0.00 -1.58 4.81 -1.26 -3.31 118.16 116.96 1a57 n LYS 115 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1a57 n LYS 115 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1a57 n LYS 115 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96