#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a57 h PHE 2 N 0.00 0.85 -0.58 0.00 -1.00 -1.97 -3.41 116.94 110.83 1a57 h PHE 2 Ca 0.00 -0.18 -0.43 0.00 2.81 0.00 0.00 57.97 60.17 1a57 h PHE 2 Cb 0.00 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.30 1a57 h PHE 2 CO 0.00 0.88 1.62 -0.40 -1.61 0.00 0.00 178.31 178.80 1a57 n ASP 3 N -4.35 0.93 0.00 2.17 5.68 -1.22 -4.24 116.55 115.51 1a57 n ASP 3 Ca -0.01 -0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 1a57 n ASP 3 Cb 0.35 -1.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 1a57 n ASP 3 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a57 n GLY 4 N 6.25 3.65 3.62 6.12 0.00 -0.30 -4.97 105.19 119.55 1a57 n GLY 4 Ca 0.55 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 2.17 0.01 2.61 -4.23 -1.26 -3.55 115.64 109.39 1a57 s THR 5 Ca 0.00 0.06 -0.04 0.00 -1.18 0.00 0.00 61.69 60.52 1a57 s THR 5 Cb 0.00 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 1a57 s THR 5 CO 0.00 -0.07 0.07 0.26 -0.54 0.00 0.00 174.62 174.34 1a57 s TRP 6 N -2.76 0.11 0.26 3.99 0.52 0.41 -4.25 118.94 117.23 1a57 s TRP 6 Ca 0.66 -0.25 0.00 0.00 0.02 0.00 0.00 56.10 56.53 1a57 s TRP 6 Cb -0.21 -0.10 0.00 0.00 -1.15 0.00 0.00 33.47 32.01 1a57 s TRP 6 CO 0.60 -0.23 0.00 1.63 0.02 0.00 0.00 176.95 178.97 1a57 n LYS 7 N 1.65 -2.31 -0.67 4.98 5.02 0.03 -1.48 118.16 125.38 1a57 n LYS 7 Ca -0.22 1.52 0.00 0.00 -2.02 0.00 0.00 58.31 57.59 1a57 n LYS 7 Cb 0.56 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.75 1a57 n LYS 7 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a57 n VAL 8 N -3.54 0.00 -2.68 -0.18 0.31 -1.26 -4.81 118.33 106.17 1a57 n VAL 8 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.29 1a57 n VAL 8 Cb 0.52 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.50 1a57 n VAL 8 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1a57 n ASP 9 N -0.74 -1.48 -4.04 4.52 2.03 -1.26 -5.06 116.55 110.52 1a57 n ASP 9 Ca 0.00 -2.03 -0.12 0.00 0.52 0.00 0.00 54.79 53.16 1a57 n ASP 9 Cb 0.00 1.03 -0.11 0.00 -0.72 0.00 0.00 41.12 41.32 1a57 n ASP 9 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1a57 s ARG 10 N 0.11 0.47 -0.50 -0.67 3.52 -1.26 -5.10 118.95 115.51 1a57 s ARG 10 Ca 0.12 -0.73 -0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1a57 s ARG 10 Cb 0.21 -0.16 0.13 0.00 -1.56 0.00 0.00 34.95 33.57 1a57 s ARG 10 CO -0.05 0.02 0.28 -0.80 -0.81 0.00 0.00 175.30 173.93 1a57 s ASN 11 N -1.60 4.93 -0.07 -2.12 -0.87 -1.26 -4.82 114.94 109.13 1a57 s ASN 11 Ca -0.11 -2.59 -0.03 0.00 -1.57 0.00 0.00 52.86 48.56 1a57 s ASN 11 Cb -0.09 -1.76 -0.01 0.00 -0.02 0.00 0.00 41.25 39.37 1a57 s ASN 11 CO -0.00 -0.38 -0.06 -0.33 -2.57 0.00 0.00 177.10 173.76 1a57 h GLU 12 N 7.23 0.00 -4.06 -0.60 5.08 -2.01 -3.50 114.58 116.72 1a57 h GLU 12 Ca -0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1a57 h GLU 12 Cb 0.97 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.09 1a57 h GLU 12 CO 0.67 0.00 -0.43 1.21 -1.00 0.00 0.00 179.01 179.46 1a57 s ASN 13 N -4.68 0.14 0.43 1.42 2.47 -1.26 -5.11 114.94 108.34 1a57 s ASN 13 Ca -0.05 -0.98 0.00 0.00 0.42 0.00 0.00 52.86 52.25 1a57 s ASN 13 Cb 0.01 0.38 0.00 0.00 -1.45 0.00 0.00 41.25 40.19 1a57 s ASN 13 CO 0.08 -0.83 0.00 -1.22 -3.72 0.00 0.00 177.10 171.41 1a57 n TYR 14 N -0.17 -2.95 -2.07 0.43 4.02 -1.26 -4.97 117.16 110.20 1a57 n TYR 14 Ca -0.07 1.61 -0.06 0.00 -0.01 0.00 0.00 57.90 59.37 1a57 n TYR 14 Cb 0.63 -2.64 -0.06 0.00 -0.02 0.00 0.00 39.34 37.25 1a57 n TYR 14 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1a57 n SER 15 N -2.70 -0.81 -0.77 7.72 3.41 -1.26 -4.90 113.62 114.31 1a57 n SER 15 Ca -0.02 -2.01 0.02 0.00 -0.26 0.00 0.00 58.87 56.61 1a57 n SER 15 Cb 0.39 0.25 0.19 0.00 -0.26 0.00 0.00 64.21 64.77 1a57 n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a57 n GLY 16 N 0.01 5.28 0.00 5.00 0.00 -1.26 -4.96 105.19 109.25 1a57 n GLY 16 Ca -0.24 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1a57 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a57 n ALA 17 N -1.06 0.00 -3.04 4.61 0.00 -1.26 -5.19 120.51 114.57 1a57 n ALA 17 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.66 1a57 n ALA 17 Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.18 1a57 n ALA 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a57 n HIS 18 N 0.00 -0.73 -0.22 0.00 8.25 -1.26 -5.17 115.22 116.08 1a57 n HIS 18 Ca 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1a57 n HIS 18 Cb 0.00 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1a57 n HIS 18 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1a57 n ASP 19 N -1.62 -1.48 0.00 0.41 8.00 -1.26 -4.99 116.55 115.61 1a57 n ASP 19 Ca -0.00 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1a57 n ASP 19 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.88 0.00 -4.87 -2.24 3.02 -1.26 -5.03 115.26 102.00 1a57 n ASN 20 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 1a57 n ASN 20 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1a57 n ASN 20 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a57 s LEU 21 N 0.00 3.74 -0.30 3.41 1.02 -1.26 -4.70 118.68 120.60 1a57 s LEU 21 Ca 0.00 1.26 -0.18 0.00 0.02 0.00 0.00 54.13 55.23 1a57 s LEU 21 Cb 0.00 -4.17 0.20 0.00 0.02 0.00 0.00 46.19 42.25 1a57 s LEU 21 CO 0.00 -0.47 1.29 -1.59 0.02 0.00 0.00 176.35 175.60 1a57 s LYS 22 N -3.99 0.02 0.51 1.70 -2.85 -1.26 -4.43 119.74 109.44 1a57 s LYS 22 Ca 0.53 0.05 -0.05 0.00 -1.00 0.00 0.00 55.97 55.51 1a57 s LYS 22 Cb -0.10 0.02 -0.02 0.00 -2.06 0.00 0.00 37.83 35.67 1a57 s LYS 22 CO 0.33 -0.01 0.80 -0.51 0.10 0.00 0.00 175.35 176.06 1a57 s LEU 23 N 1.68 3.52 -0.31 2.77 1.43 -0.55 -4.19 118.68 123.03 1a57 s LEU 23 Ca -0.02 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1a57 s LEU 23 Cb -0.01 -3.67 0.31 0.00 0.03 0.00 0.00 46.19 42.85 1a57 s LEU 23 CO -0.14 -0.73 1.37 0.41 0.23 0.00 0.00 176.35 177.49 1a57 n THR 24 N -2.32 0.00 -2.93 5.49 -1.04 -1.26 0.16 114.28 112.37 1a57 n THR 24 Ca 0.02 -0.57 -0.35 0.00 -2.04 0.00 0.00 64.05 61.10 1a57 n THR 24 Cb 0.56 1.04 -0.06 0.00 -1.82 0.00 0.00 70.33 70.04 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 0.03 4.42 -0.38 12.58 1.09 -1.23 -4.25 121.20 133.46 1a57 s ILE 25 Ca 0.22 1.47 -0.03 0.00 -1.10 0.00 0.00 60.65 61.21 1a57 s ILE 25 Cb 0.26 -3.82 0.21 0.00 -1.06 0.00 0.00 42.46 38.05 1a57 s ILE 25 CO -0.15 0.01 1.03 0.41 -0.10 0.00 0.00 174.94 176.13 1a57 n THR 26 N 0.21 0.00 -0.77 2.92 -1.04 -1.26 -1.15 114.28 113.19 1a57 n THR 26 Ca 0.02 -0.42 -0.27 0.00 -2.04 0.00 0.00 64.05 61.34 1a57 n THR 26 Cb 0.52 0.73 -0.02 0.00 -1.82 0.00 0.00 70.33 69.74 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 2.58 0.00 0.00 -2.82 0.00 -1.26 -4.75 117.38 111.12 1a57 n GLN 27 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.12 1a57 n GLN 27 Cb 0.63 -0.56 0.00 0.00 0.00 0.00 0.00 30.24 30.31 1a57 n GLN 27 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1a57 n GLU 28 N 0.56 0.00 -3.73 2.61 4.07 0.15 -4.92 120.64 119.39 1a57 n GLU 28 Ca 0.10 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.92 1a57 n GLU 28 Cb 0.13 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.40 1a57 n GLU 28 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1a57 s GLY 29 N -0.01 2.29 -1.06 8.31 0.00 -1.26 -4.61 107.32 110.98 1a57 s GLY 29 Ca 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 44.72 41.42 1a57 s GLY 29 CO 0.00 1.45 0.00 0.70 0.00 0.00 0.00 173.10 175.25 1a57 n ASN 30 N 2.38 -3.92 -3.80 1.64 4.13 -1.26 -4.98 115.26 109.45 1a57 n ASN 30 Ca 0.22 0.04 -0.28 0.00 1.68 0.00 0.00 54.58 56.24 1a57 n ASN 30 Cb 0.39 -3.02 -0.16 0.00 -1.54 0.00 0.00 39.78 35.45 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1a57 s LYS 31 N -4.33 0.94 0.36 3.52 2.20 -1.26 -2.00 119.74 119.17 1a57 s LYS 31 Ca 0.00 -0.59 0.07 0.00 -0.36 0.00 0.00 55.97 55.09 1a57 s LYS 31 Cb 0.00 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 34.06 1a57 s LYS 31 CO 0.00 -0.63 0.46 -0.06 -0.36 0.00 0.00 175.35 174.76 1a57 s PHE 32 N 1.72 3.00 -0.33 4.03 0.40 -1.21 0.33 117.98 125.93 1a57 s PHE 32 Ca -0.02 -0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1a57 s PHE 32 Cb -0.18 -2.05 0.11 0.00 0.51 0.00 0.00 43.02 41.42 1a57 s PHE 32 CO -0.07 -0.06 0.12 0.99 0.70 0.00 0.00 175.22 176.89 1a57 s THR 33 N -2.24 0.93 0.02 0.64 2.01 -1.26 -1.78 115.64 113.95 1a57 s THR 33 Ca 0.46 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.58 1a57 s THR 33 Cb -0.09 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 1a57 s THR 33 CO 0.31 -0.72 1.30 -0.69 -0.69 0.00 0.00 174.62 174.12 1a57 s VAL 34 N 1.41 3.85 -2.00 3.82 1.01 -1.26 -3.86 120.40 123.37 1a57 s VAL 34 Ca 0.11 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.41 1a57 s VAL 34 Cb -0.18 -3.82 0.12 0.00 0.00 0.00 0.00 36.38 32.49 1a57 s VAL 34 CO -0.21 0.04 0.98 1.17 0.00 0.00 0.00 175.10 177.09 1a57 n LYS 35 N 4.70 0.81 -1.43 2.72 4.81 -1.26 -2.70 118.16 125.81 1a57 n LYS 35 Ca 0.11 0.00 -0.48 0.00 -0.87 0.00 0.00 58.31 57.07 1a57 n LYS 35 Cb 0.45 -1.08 -0.09 0.00 0.02 0.00 0.00 35.03 34.33 1a57 n LYS 35 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1a57 n GLU 36 N -0.58 0.64 -4.00 1.64 1.02 -1.26 -4.33 120.64 113.77 1a57 n GLU 36 Ca 0.03 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1a57 n GLU 36 Cb 0.01 -2.21 -0.12 0.00 -0.02 0.00 0.00 31.44 29.10 1a57 n GLU 36 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1a57 s SER 37 N 8.09 0.39 0.18 1.62 1.04 -1.26 -0.71 113.70 123.05 1a57 s SER 37 Ca 1.16 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 57.31 1a57 s SER 37 Cb -0.97 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.16 1a57 s SER 37 CO 0.49 -0.14 0.16 -1.54 0.98 0.00 0.00 173.24 173.19 1a57 n SER 38 N 2.16 -0.39 0.15 7.02 3.41 -1.26 -4.10 113.62 120.61 1a57 n SER 38 Ca -0.19 -2.18 0.13 0.00 -0.26 0.00 0.00 58.87 56.38 1a57 n SER 38 Cb 0.57 0.92 0.45 0.00 -0.26 0.00 0.00 64.21 65.89 1a57 n SER 38 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1a57 h ASN 39 N 1.10 0.00 0.00 4.04 2.35 -1.96 -3.40 115.58 117.71 1a57 h ASN 39 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1a57 h ASN 39 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 1a57 h ASN 39 CO 0.18 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.45 1a57 n PHE 40 N -2.45 0.00 -2.64 1.19 3.01 -1.26 -5.03 117.46 110.27 1a57 n PHE 40 Ca 0.03 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.40 1a57 n PHE 40 Cb 0.34 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.85 1a57 n PHE 40 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1a57 n ARG 41 N 0.00 1.88 0.03 -1.08 3.00 -1.26 -4.76 116.66 114.47 1a57 n ARG 41 Ca 0.00 -3.58 -0.10 0.00 -0.00 0.00 0.00 57.85 54.17 1a57 n ARG 41 Cb 0.00 -1.60 0.03 0.00 0.00 0.00 0.00 32.46 30.89 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 2.71 0.55 -4.36 6.15 4.21 -1.81 -3.45 115.58 119.59 1a57 h ASN 42 Ca -0.02 -0.34 0.00 0.00 1.21 0.00 0.00 56.30 57.15 1a57 h ASN 42 Cb 1.23 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 1a57 h ASN 42 CO 0.44 1.07 0.00 0.00 -1.29 0.00 0.00 177.43 177.64 1a57 n ILE 43 N -3.89 0.00 -1.27 2.81 3.06 -1.19 -3.66 119.36 115.23 1a57 n ILE 43 Ca -0.04 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 1a57 n ILE 43 Cb 0.67 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.85 1a57 n ILE 43 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1a57 n ASP 44 N 0.54 -7.05 -2.61 9.51 8.00 0.12 -4.90 116.55 120.16 1a57 n ASP 44 Ca 0.00 0.97 -0.14 0.00 0.71 0.00 0.00 54.79 56.33 1a57 n ASP 44 Cb 0.00 -3.48 0.02 0.00 -0.02 0.00 0.00 41.12 37.64 1a57 n ASP 44 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1a57 n VAL 45 N -0.62 1.38 -0.62 2.53 0.31 -1.10 -5.00 118.33 115.21 1a57 n VAL 45 Ca 0.00 -3.59 -0.29 0.00 -0.01 0.00 0.00 64.34 60.45 1a57 n VAL 45 Cb 0.00 0.11 0.23 0.00 -0.91 0.00 0.00 33.84 33.27 1a57 n VAL 45 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1a57 s VAL 46 N -3.80 2.06 0.00 2.52 0.11 -1.26 -4.31 120.40 115.71 1a57 s VAL 46 Ca 0.33 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1a57 s VAL 46 Cb 0.44 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.20 1a57 s VAL 46 CO -0.03 -0.02 0.00 2.22 -3.33 0.00 0.00 175.10 173.94 1a57 n PHE 47 N -4.73 0.00 -2.79 1.54 1.16 -0.73 -4.91 117.46 106.99 1a57 n PHE 47 Ca 0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.50 1a57 n PHE 47 Cb 0.54 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.42 1a57 n PHE 47 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1a57 n GLU 48 N 0.00 1.27 0.00 3.97 1.02 -1.26 -3.28 120.64 122.36 1a57 n GLU 48 Ca 0.00 -3.39 0.00 0.00 -0.02 0.00 0.00 57.16 53.75 1a57 n GLU 48 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1a57 n GLU 48 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1a57 n LEU 49 N -0.00 0.00 -1.73 -4.62 7.94 -0.85 -4.02 117.00 113.71 1a57 n LEU 49 Ca 0.15 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 55.01 1a57 n LEU 49 Cb 0.76 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.74 1a57 n LEU 49 CO 0.26 0.00 0.03 0.61 -1.11 0.00 0.00 177.39 177.18 1a57 n GLY 50 N 1.01 0.23 3.53 -3.96 0.00 -0.24 -4.96 105.19 100.81 1a57 n GLY 50 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 1a57 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a57 s VAL 51 N -3.10 -0.74 0.47 1.61 1.01 -1.26 -5.03 120.40 113.36 1a57 s VAL 51 Ca 0.02 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1a57 s VAL 51 Cb -0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1a57 s VAL 51 CO 0.21 0.02 0.74 1.51 0.00 0.00 0.00 175.10 177.58 1a57 s ASP 52 N 2.60 6.08 -0.05 3.32 -4.77 -1.26 -4.09 116.67 118.49 1a57 s ASP 52 Ca -0.06 0.70 -0.31 0.00 -3.30 0.00 0.00 52.55 49.58 1a57 s ASP 52 Cb -0.11 -2.00 0.13 0.00 -1.09 0.00 0.00 42.92 39.85 1a57 s ASP 52 CO -0.17 -0.63 1.34 0.72 0.70 0.00 0.00 175.17 177.13 1a57 s PHE 53 N -2.67 -0.03 -0.06 2.11 -0.71 -0.43 -4.96 117.98 111.23 1a57 s PHE 53 Ca 0.47 -0.04 0.04 0.00 -1.04 0.00 0.00 56.93 56.37 1a57 s PHE 53 Cb -0.10 0.53 -0.02 0.00 -1.21 0.00 0.00 43.02 42.22 1a57 s PHE 53 CO 0.42 -0.18 -0.19 0.00 -1.34 0.00 0.00 175.22 173.92 1a57 s ALA 54 N -2.29 2.42 -0.27 1.99 0.00 -1.26 -1.15 121.76 121.20 1a57 s ALA 54 Ca 0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 1a57 s ALA 54 Cb 0.06 -0.86 0.10 0.00 0.00 0.00 0.00 23.12 22.42 1a57 s ALA 54 CO -0.05 0.45 0.15 -0.47 0.00 0.00 0.00 175.76 175.85 1a57 s TYR 55 N -0.34 0.17 0.68 0.00 5.04 -1.19 -5.00 117.35 116.71 1a57 s TYR 55 Ca 0.02 -0.67 -0.14 0.00 -2.44 0.00 0.00 57.07 53.85 1a57 s TYR 55 Cb -0.13 -0.79 0.01 0.00 0.35 0.00 0.00 41.96 41.40 1a57 s TYR 55 CO 0.02 -0.80 1.10 0.45 -1.34 0.00 0.00 175.55 174.99 1a57 s SER 56 N 2.15 5.01 0.00 4.32 0.15 -1.26 -3.78 113.70 120.29 1a57 s SER 56 Ca 0.08 1.96 0.00 0.00 0.70 0.00 0.00 55.95 58.69 1a57 s SER 56 Cb -0.16 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1a57 s SER 56 CO -0.32 -1.69 0.00 -0.11 1.20 0.00 0.00 173.24 172.32 1a57 n LEU 57 N -2.62 0.00 0.00 3.45 7.94 -1.17 -4.95 117.00 119.66 1a57 n LEU 57 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 1a57 n LEU 57 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1a57 n LEU 57 CO 0.49 0.00 0.39 0.00 -1.11 0.00 0.00 177.39 177.16 1a57 n ALA 58 N -3.00 1.23 0.00 1.96 0.00 -1.26 -4.74 120.51 114.70 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 -1.27 0.00 0.02 0.00 2.03 -1.26 -4.80 116.55 111.27 1a57 n ASP 59 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1a57 n ASP 59 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.35 -0.04 3.35 0.27 0.00 -1.26 -5.06 105.19 101.09 1a57 n GLY 60 Ca 0.00 -0.01 -0.49 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.33 1.54 -2.60 2.61 -2.24 -1.26 -4.63 114.28 104.37 1a57 n THR 61 Ca -0.01 -0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 1a57 n THR 61 Cb 0.24 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.55 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 1.08 1.17 -1.51 -0.78 2.13 -1.26 -3.03 120.64 118.45 1a57 n GLU 62 Ca 0.18 -1.68 -0.36 0.00 0.66 0.00 0.00 57.16 55.95 1a57 n GLU 62 Cb 0.21 0.01 -0.15 0.00 0.27 0.00 0.00 31.44 31.77 1a57 n GLU 62 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1a57 n LEU 63 N -1.03 0.15 -4.38 4.31 4.32 -1.07 -4.26 117.00 115.04 1a57 n LEU 63 Ca -0.13 -0.05 -0.45 0.00 -0.02 0.00 0.00 56.01 55.36 1a57 n LEU 63 Cb 0.85 -0.92 -0.04 0.00 -1.62 0.00 0.00 43.42 41.69 1a57 n LEU 63 CO -0.10 -0.97 0.48 -0.89 -1.22 0.00 0.00 177.39 174.68 1a57 s THR 64 N 7.69 4.77 0.19 -5.08 2.01 -1.19 -3.19 115.64 120.85 1a57 s THR 64 Ca 1.31 -0.98 -0.10 0.00 0.31 0.00 0.00 61.69 62.24 1a57 s THR 64 Cb -1.07 -4.53 0.04 0.00 0.01 0.00 0.00 72.50 66.95 1a57 s THR 64 CO 0.48 -1.18 0.50 0.61 -0.69 0.00 0.00 174.62 174.34 1a57 n GLY 65 N 5.26 1.25 2.94 4.40 0.00 -0.30 -3.98 105.19 114.76 1a57 n GLY 65 Ca -0.07 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1a57 n GLY 65 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a57 s THR 66 N -2.42 0.04 -0.23 2.61 -1.32 -1.25 -1.31 115.64 111.77 1a57 s THR 66 Ca 0.10 -0.33 0.01 0.00 -1.21 0.00 0.00 61.69 60.26 1a57 s THR 66 Cb -0.02 -0.14 0.05 0.00 -1.51 0.00 0.00 72.50 70.88 1a57 s THR 66 CO 0.06 -0.18 -0.08 0.26 -2.21 0.00 0.00 174.62 172.46 1a57 s TRP 67 N -0.54 2.55 -0.70 9.09 0.23 -1.26 -3.50 118.94 124.81 1a57 s TRP 67 Ca -0.06 -1.79 -0.02 0.00 -2.03 0.00 0.00 56.10 52.20 1a57 s TRP 67 Cb -0.04 -1.66 0.43 0.00 0.03 0.00 0.00 33.47 32.24 1a57 s TRP 67 CO -0.00 -0.78 2.04 0.25 0.96 0.00 0.00 176.95 179.42 1a57 n THR 68 N 4.64 3.63 -1.15 2.01 -2.24 -1.22 -1.08 114.28 118.87 1a57 n THR 68 Ca -0.13 -3.19 -0.48 0.00 -2.27 0.00 0.00 64.05 57.98 1a57 n THR 68 Cb 0.45 -1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 67.39 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 -0.85 0.00 0.00 -0.78 1.56 -1.26 -4.79 117.12 111.00 1a57 n MET 69 Ca 0.61 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 58.04 1a57 n MET 69 Cb 0.58 -1.31 0.00 0.00 2.15 0.00 0.00 33.22 34.64 1a57 n MET 69 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1a57 n GLU 70 N 6.79 0.00 0.00 2.12 2.13 -1.26 -4.95 120.64 125.47 1a57 n GLU 70 Ca 0.51 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1a57 n GLU 70 Cb -0.02 -0.69 0.00 0.00 0.27 0.00 0.00 31.44 31.00 1a57 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a57 n GLY 71 N 2.20 -0.05 2.26 8.31 0.00 -1.26 -4.94 105.19 111.70 1a57 n GLY 71 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1a57 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a57 n ASN 72 N -1.02 5.18 -3.38 1.61 4.13 -1.26 -5.03 115.26 115.49 1a57 n ASN 72 Ca 0.00 -3.75 -0.18 0.00 1.68 0.00 0.00 54.58 52.33 1a57 n ASN 72 Cb 0.00 -0.47 -0.08 0.00 -1.54 0.00 0.00 39.78 37.70 1a57 n ASN 72 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1a57 s LYS 73 N -3.62 1.75 -0.36 3.52 3.01 -1.26 -3.39 119.74 119.39 1a57 s LYS 73 Ca 0.51 -1.97 0.03 0.00 -1.01 0.00 0.00 55.97 53.53 1a57 s LYS 73 Cb 0.41 0.34 0.15 0.00 -1.01 0.00 0.00 37.83 37.73 1a57 s LYS 73 CO -0.07 -0.66 0.37 -0.51 0.51 0.00 0.00 175.35 174.99 1a57 s LEU 74 N -3.35 -0.13 -0.18 3.17 1.43 0.44 -4.36 118.68 115.71 1a57 s LEU 74 Ca 0.39 -1.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.08 1a57 s LEU 74 Cb 0.02 0.60 0.02 0.00 0.03 0.00 0.00 46.19 46.86 1a57 s LEU 74 CO 0.26 -0.28 -0.19 -0.69 0.23 0.00 0.00 176.35 175.68 1a57 s VAL 75 N 1.59 2.03 -0.18 -1.59 1.01 -1.26 -2.14 120.40 119.86 1a57 s VAL 75 Ca 0.16 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1a57 s VAL 75 Cb -0.15 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1a57 s VAL 75 CO -0.08 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1a57 n GLY 76 N 4.62 -0.90 3.65 4.51 0.00 -1.26 -3.39 105.19 112.42 1a57 n GLY 76 Ca -0.21 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.55 0.04 0.31 1.61 2.20 -1.23 -4.76 119.74 117.36 1a57 s LYS 77 Ca 0.00 0.07 0.05 0.00 -0.36 0.00 0.00 55.97 55.73 1a57 s LYS 77 Cb 0.00 0.01 -0.06 0.00 -1.51 0.00 0.00 37.83 36.27 1a57 s LYS 77 CO 0.00 -0.01 0.01 -0.06 -0.36 0.00 0.00 175.35 174.93 1a57 s PHE 78 N 0.87 1.96 -0.24 4.03 0.40 -1.26 -3.38 117.98 120.36 1a57 s PHE 78 Ca -0.06 -0.85 -0.27 0.00 -0.60 0.00 0.00 56.93 55.15 1a57 s PHE 78 Cb -0.03 -1.23 0.14 0.00 0.51 0.00 0.00 43.02 42.42 1a57 s PHE 78 CO -0.11 0.12 1.10 0.21 0.70 0.00 0.00 175.22 177.24 1a57 s LYS 79 N -3.83 0.44 -0.94 0.44 2.20 -1.26 -1.39 119.74 115.42 1a57 s LYS 79 Ca 0.33 0.33 -0.01 0.00 -0.36 0.00 0.00 55.97 56.27 1a57 s LYS 79 Cb 0.07 0.21 0.29 0.00 -1.51 0.00 0.00 37.83 36.89 1a57 s LYS 79 CO 0.14 -0.09 1.27 2.89 -0.36 0.00 0.00 175.35 179.19 1a57 n ARG 80 N 1.50 3.91 -0.19 4.03 1.85 -0.07 -2.61 116.66 125.08 1a57 n ARG 80 Ca -0.11 -4.60 0.18 0.00 -1.00 0.00 0.00 57.85 52.32 1a57 n ARG 80 Cb 0.57 -2.43 0.33 0.00 -1.05 0.00 0.00 32.46 29.88 1a57 n ARG 80 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1a57 n VAL 81 N 1.11 -0.24 0.13 8.89 3.14 -1.26 0.88 118.33 130.97 1a57 n VAL 81 Ca 0.28 1.19 0.16 0.00 -2.96 0.00 0.00 64.34 63.01 1a57 n VAL 81 Cb 0.35 -1.92 0.72 0.00 -1.06 0.00 0.00 33.84 31.94 1a57 n VAL 81 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1a57 h ASP 82 N 0.00 0.00 0.00 6.55 2.03 -1.90 -3.43 116.42 119.67 1a57 h ASP 82 Ca 0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.78 1a57 h ASP 82 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1a57 h ASP 82 CO -0.46 0.00 0.00 -0.46 -1.03 0.00 0.00 179.24 177.29 1a57 n ASN 83 N -4.25 0.00 -0.07 4.15 0.23 0.17 -4.99 115.26 110.51 1a57 n ASN 83 Ca 0.04 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.95 1a57 n ASN 83 Cb 0.38 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.94 1a57 n ASN 83 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a57 n GLY 84 N 0.00 -0.76 6.19 4.83 0.00 0.25 -5.05 105.19 110.66 1a57 n GLY 84 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.09 -0.04 -1.46 1.61 3.00 0.13 -4.79 118.16 113.52 1a57 n LYS 85 Ca -0.32 0.02 -0.38 0.00 -0.00 0.00 0.00 58.31 57.63 1a57 n LYS 85 Cb 1.07 -0.04 0.03 0.00 0.00 0.00 0.00 35.03 36.09 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 -0.33 0.52 -1.93 1.64 1.02 -1.26 -0.89 120.64 119.40 1a57 n GLU 86 Ca 0.00 0.20 -0.04 0.00 -0.02 0.00 0.00 57.16 57.30 1a57 n GLU 86 Cb 0.01 -1.67 0.04 0.00 -0.02 0.00 0.00 31.44 29.80 1a57 n GLU 86 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1a57 n LEU 87 N 0.64 -1.02 -4.64 -4.62 -0.00 -0.48 -4.39 117.00 102.49 1a57 n LEU 87 Ca 0.11 -2.65 -0.51 0.00 -0.00 0.00 0.00 56.01 52.96 1a57 n LEU 87 Cb 0.47 0.07 -0.06 0.00 -0.00 0.00 0.00 43.42 43.90 1a57 n LEU 87 CO 0.51 1.54 1.09 -0.38 -0.00 0.00 0.00 177.39 180.15 1a57 n ILE 88 N -0.77 0.10 -2.17 1.47 5.41 -0.89 -4.50 119.36 118.01 1a57 n ILE 88 Ca -0.20 -0.02 -0.42 0.00 1.00 0.00 0.00 62.75 63.11 1a57 n ILE 88 Cb 0.81 -1.13 0.00 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 3.55 5.59 -1.94 -1.39 0.00 -1.26 0.17 120.51 125.23 1a57 n ALA 89 Ca 0.20 -4.20 -0.42 0.00 0.00 0.00 0.00 53.44 49.02 1a57 n ALA 89 Cb 0.21 -3.07 -0.03 0.00 0.00 0.00 0.00 19.45 16.56 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 0.77 3.39 0.19 0.00 1.01 -1.26 -4.56 120.40 119.94 1a57 s VAL 90 Ca 0.43 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 1a57 s VAL 90 Cb 0.11 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1a57 s VAL 90 CO -0.02 -0.40 0.10 -0.60 0.00 0.00 0.00 175.10 174.18 1a57 s ARG 91 N 6.00 1.16 -0.31 2.72 3.52 -0.91 -3.67 118.95 127.46 1a57 s ARG 91 Ca 0.82 -1.60 -0.11 0.00 -0.13 0.00 0.00 55.73 54.71 1a57 s ARG 91 Cb -0.22 0.17 0.19 0.00 -1.56 0.00 0.00 34.95 33.52 1a57 s ARG 91 CO 0.32 -0.34 1.07 -1.83 -0.81 0.00 0.00 175.30 173.71 1a57 s GLU 92 N -4.11 0.14 -0.31 5.12 -1.05 -1.26 0.17 118.70 117.39 1a57 s GLU 92 Ca 0.35 0.01 -0.16 0.00 -0.15 0.00 0.00 54.97 55.03 1a57 s GLU 92 Cb 0.07 0.03 -0.08 0.00 -0.44 0.00 0.00 34.13 33.71 1a57 s GLU 92 CO 0.10 -0.22 1.00 1.51 0.95 0.00 0.00 175.26 178.60 1a57 n ILE 93 N 4.25 0.00 -3.46 1.83 0.13 -1.22 -4.86 119.36 116.03 1a57 n ILE 93 Ca 0.07 0.00 -0.37 0.00 -1.10 0.00 0.00 62.75 61.35 1a57 n ILE 93 Cb 0.61 -0.21 -0.07 0.00 -0.84 0.00 0.00 39.64 39.14 1a57 n ILE 93 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 1a57 s SER 94 N 3.10 6.54 1.55 9.51 0.01 -1.24 -4.81 113.70 128.35 1a57 s SER 94 Ca 0.53 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1a57 s SER 94 Cb -0.57 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1a57 s SER 94 CO 0.24 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1a57 n GLY 95 N 3.24 2.70 2.48 3.44 0.00 -1.26 -2.20 105.19 113.59 1a57 n GLY 95 Ca -0.10 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 9.78 -0.43 0.00 1.61 2.85 -1.26 -5.02 115.26 122.80 1a57 n ASN 96 Ca 0.00 -3.15 0.00 0.00 -0.11 0.00 0.00 54.58 51.32 1a57 n ASN 96 Cb 0.00 0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.43 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1a57 n GLU 97 N 0.17 0.00 -2.02 1.20 -0.00 -0.93 -4.53 120.64 114.53 1a57 n GLU 97 Ca 0.14 0.00 -0.37 0.00 -0.00 0.00 0.00 57.16 56.93 1a57 n GLU 97 Cb 0.71 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 32.18 1a57 n GLU 97 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1a57 s LEU 98 N 0.00 3.79 -0.06 -1.84 2.96 -1.26 -3.74 118.68 118.53 1a57 s LEU 98 Ca 0.00 2.45 0.02 0.00 -0.22 0.00 0.00 54.13 56.38 1a57 s LEU 98 Cb 0.00 -4.44 0.02 0.00 0.50 0.00 0.00 46.19 42.26 1a57 s LEU 98 CO 0.00 -1.43 -0.10 -0.63 -1.32 0.00 0.00 176.35 172.88 1a57 s ILE 99 N -1.52 0.97 -0.11 6.68 1.01 -1.26 -3.19 121.20 123.79 1a57 s ILE 99 Ca 0.73 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 61.05 1a57 s ILE 99 Cb -0.32 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1a57 s ILE 99 CO 0.37 0.32 -0.23 -1.10 0.00 0.00 0.00 174.94 174.30 1a57 s GLN 100 N 0.83 3.06 -0.06 2.79 -0.21 -1.26 -4.41 119.66 120.39 1a57 s GLN 100 Ca -0.12 -0.87 -0.19 0.00 0.02 0.00 0.00 55.36 54.20 1a57 s GLN 100 Cb -0.15 -2.34 -0.30 0.00 1.00 0.00 0.00 33.01 31.22 1a57 s GLN 100 CO 0.02 0.15 0.77 1.79 -2.12 0.00 0.00 175.29 175.89 1a57 h THR 101 N 5.72 1.31 -5.45 -0.19 1.35 -1.70 -3.03 112.91 110.92 1a57 h THR 101 Ca -0.22 -2.50 -0.23 0.00 -0.55 0.00 0.00 66.41 62.92 1a57 h THR 101 Cb 1.23 3.00 0.18 0.00 -1.73 0.00 0.00 68.15 70.83 1a57 h THR 101 CO 0.49 0.72 -0.77 -1.22 -0.25 0.00 0.00 175.52 174.48 1a57 n TYR 102 N -4.02 -2.52 -1.53 4.73 4.01 -1.23 0.14 117.16 116.73 1a57 n TYR 102 Ca -0.18 0.89 -0.39 0.00 -0.16 0.00 0.00 57.90 58.05 1a57 n TYR 102 Cb 0.87 -4.13 -0.06 0.00 -0.31 0.00 0.00 39.34 35.72 1a57 n TYR 102 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1a57 n THR 103 N -3.08 -0.01 -4.04 -0.72 -1.04 0.45 -4.07 114.28 101.76 1a57 n THR 103 Ca -0.06 -0.57 -0.33 0.00 -2.04 0.00 0.00 64.05 61.05 1a57 n THR 103 Cb 0.61 -2.23 -0.15 0.00 -1.82 0.00 0.00 70.33 66.74 1a57 n THR 103 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1a57 s TYR 104 N 10.83 3.13 0.00 -1.42 5.04 0.34 -2.10 117.35 133.17 1a57 s TYR 104 Ca 1.07 -1.98 0.00 0.00 -2.44 0.00 0.00 57.07 53.72 1a57 s TYR 104 Cb -0.46 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 39.87 1a57 s TYR 104 CO 0.34 -0.83 0.00 0.39 -1.34 0.00 0.00 175.55 174.11 1a57 n GLU 105 N 4.54 0.00 -0.16 4.97 -0.58 -1.26 0.54 120.64 128.69 1a57 n GLU 105 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1a57 n GLU 105 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 1a57 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a57 n GLY 106 N 0.00 0.68 3.50 0.62 0.00 -1.26 -5.04 105.19 103.69 1a57 n GLY 106 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.41 0.00 -0.23 1.61 1.01 0.19 -5.12 120.40 115.44 1a57 s VAL 107 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1a57 s VAL 107 Cb 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.42 1a57 s VAL 107 CO 0.00 0.00 -0.13 -1.61 0.00 0.00 0.00 175.10 173.36 1a57 s GLU 108 N -2.14 2.59 -1.01 2.72 2.02 -1.26 -0.51 118.70 121.11 1a57 s GLU 108 Ca -0.04 -1.12 -0.08 0.00 0.02 0.00 0.00 54.97 53.76 1a57 s GLU 108 Cb -0.00 -2.80 0.25 0.00 0.10 0.00 0.00 34.13 31.68 1a57 s GLU 108 CO -0.00 -0.42 0.97 0.00 0.02 0.00 0.00 175.26 175.83 1a57 s ALA 109 N 1.20 4.52 0.53 5.21 0.00 0.37 -5.02 121.76 128.57 1a57 s ALA 109 Ca -0.03 -3.77 -0.19 0.00 0.00 0.00 0.00 51.96 47.97 1a57 s ALA 109 Cb -0.17 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 1a57 s ALA 109 CO -0.08 -2.19 1.09 0.15 0.00 0.00 0.00 175.76 174.73 1a57 s LYS 110 N -1.10 3.50 0.00 0.00 1.02 -1.25 -4.04 119.74 117.87 1a57 s LYS 110 Ca 0.28 1.46 0.00 0.00 0.02 0.00 0.00 55.97 57.73 1a57 s LYS 110 Cb -0.10 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1a57 s LYS 110 CO -0.09 -0.70 0.00 0.54 -0.92 0.00 0.00 175.35 174.18 1a57 n ARG 111 N -1.30 1.29 -2.75 1.68 1.74 -1.15 -4.98 116.66 111.21 1a57 n ARG 111 Ca 0.10 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.14 1a57 n ARG 111 Cb 0.52 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.97 1a57 n ARG 111 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1a57 n ILE 112 N 0.00 0.00 -0.51 0.55 -5.35 -1.26 -4.59 119.36 108.19 1a57 n ILE 112 Ca 0.00 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.58 1a57 n ILE 112 Cb 0.00 0.95 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 1a57 n ILE 112 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1a57 n PHE 113 N 2.89 0.00 -1.82 4.28 3.72 -1.19 -5.08 117.46 120.27 1a57 n PHE 113 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 1a57 n PHE 113 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 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 -4.59 118.16 111.23 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 3.17 0.00 -1.58 4.81 -1.26 -3.15 118.16 120.15 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 -1.91 1.17 0.00 0.00 177.40 176.66