#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 0.47 -1.53 0.00 3.01 -1.26 -4.98 117.46 113.17 1a57 n PHE 2 Ca 0.00 -0.56 -0.24 0.00 1.01 0.00 0.00 57.45 57.66 1a57 n PHE 2 Cb 0.00 -0.07 -0.13 0.00 -0.01 0.00 0.00 39.48 39.27 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 0.24 0.57 0.00 4.37 5.75 -1.08 -3.76 116.55 122.63 1a57 n ASP 3 Ca 0.12 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 1a57 n ASP 3 Cb 0.47 -1.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 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 6.20 2.88 3.63 6.12 0.00 -1.19 -5.02 105.19 117.82 1a57 n GLY 4 Ca 0.55 0.16 -0.51 0.00 0.00 0.00 0.00 46.02 46.22 1a57 n GLY 4 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a57 n THR 5 N 0.00 0.08 -3.85 2.61 -2.24 -1.26 -4.37 114.28 105.25 1a57 n THR 5 Ca 0.00 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 1a57 n THR 5 Cb 0.00 -1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 67.13 1a57 n THR 5 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1a57 s TRP 6 N 1.25 3.33 0.16 4.78 0.52 0.23 -4.55 118.94 124.66 1a57 s TRP 6 Ca 0.86 -0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.90 1a57 s TRP 6 Cb -0.90 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 29.75 1a57 s TRP 6 CO 0.48 0.32 0.00 1.63 0.02 0.00 0.00 176.95 179.41 1a57 n LYS 7 N -1.45 -1.41 0.00 4.98 5.02 0.76 -2.10 118.16 123.96 1a57 n LYS 7 Ca -0.06 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1a57 n LYS 7 Cb 0.57 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.39 0.00 -2.07 -0.18 0.31 -1.26 -4.79 118.33 107.95 1a57 n VAL 8 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1a57 n VAL 8 Cb 0.32 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.36 1a57 n VAL 8 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1a57 n ASP 9 N 0.91 1.77 -4.68 4.52 5.75 -1.26 -4.95 116.55 118.62 1a57 n ASP 9 Ca 0.00 -3.04 -0.42 0.00 -0.01 0.00 0.00 54.79 51.31 1a57 n ASP 9 Cb 0.00 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.64 1a57 n ASP 9 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1a57 s ARG 10 N -2.15 4.17 0.23 0.11 1.81 -1.26 -4.89 118.95 116.97 1a57 s ARG 10 Ca 0.37 2.42 -0.31 0.00 -1.72 0.00 0.00 55.73 56.49 1a57 s ARG 10 Cb 0.38 -3.68 -0.15 0.00 -0.45 0.00 0.00 34.95 31.05 1a57 s ARG 10 CO -0.09 -0.79 1.14 0.09 -0.68 0.00 0.00 175.30 174.96 1a57 n ASN 11 N 5.91 1.54 -1.85 0.23 3.02 -1.26 -4.39 115.26 118.46 1a57 n ASN 11 Ca 0.17 1.16 -0.05 0.00 -0.03 0.00 0.00 54.58 55.83 1a57 n ASN 11 Cb 0.40 -1.28 -0.05 0.00 -0.61 0.00 0.00 39.78 38.24 1a57 n ASN 11 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1a57 n GLU 12 N 1.37 0.00 -3.26 3.52 1.02 -1.26 -4.82 120.64 117.21 1a57 n GLU 12 Ca 0.12 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.88 1a57 n GLU 12 Cb 0.29 -0.44 -0.06 0.00 -0.02 0.00 0.00 31.44 31.21 1a57 n GLU 12 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1a57 s ASN 13 N 0.00 6.66 -0.75 1.62 4.22 -1.26 -5.00 114.94 120.43 1a57 s ASN 13 Ca 0.30 0.79 0.02 0.00 -2.14 0.00 0.00 52.86 51.83 1a57 s ASN 13 Cb -0.19 -2.30 0.18 0.00 1.28 0.00 0.00 41.25 40.22 1a57 s ASN 13 CO 0.13 -0.09 0.57 -0.47 -2.04 0.00 0.00 177.10 175.20 1a57 s TYR 14 N 1.07 3.65 0.00 1.54 6.14 -1.26 -4.82 117.35 123.66 1a57 s TYR 14 Ca 0.26 -3.18 0.00 0.00 0.64 0.00 0.00 57.07 54.79 1a57 s TYR 14 Cb -0.15 -2.94 0.00 0.00 0.42 0.00 0.00 41.96 39.29 1a57 s TYR 14 CO 0.11 -0.65 0.00 0.45 0.64 0.00 0.00 175.55 176.10 1a57 n SER 15 N 2.28 0.00 0.00 4.32 2.88 -1.26 -5.12 113.62 116.72 1a57 n SER 15 Ca 0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1a57 n SER 15 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1a57 n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a57 n GLY 16 N 3.91 0.43 3.72 0.46 0.00 -1.26 -5.09 105.19 107.36 1a57 n GLY 16 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 3.54 0.00 4.61 0.00 -1.26 -4.94 121.76 121.71 1a57 s ALA 17 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1a57 s ALA 17 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1a57 s ALA 17 CO 0.00 -0.01 0.00 -2.39 0.00 0.00 0.00 175.76 173.36 1a57 n HIS 18 N 3.76 0.00 -2.63 0.00 -0.00 -1.26 -4.96 115.22 110.13 1a57 n HIS 18 Ca -0.09 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.20 1a57 n HIS 18 Cb 0.52 0.03 -0.03 0.00 -0.00 0.00 0.00 29.99 30.51 1a57 n HIS 18 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1a57 s ASP 19 N -4.33 6.48 0.00 4.39 2.15 -1.26 -4.80 116.67 119.30 1a57 s ASP 19 Ca 0.00 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.12 1a57 s ASP 19 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1a57 s ASP 19 CO 0.00 -1.38 0.00 0.59 -0.17 0.00 0.00 175.17 174.21 1a57 n ASN 20 N 8.12 0.00 -3.73 -0.34 4.13 -1.26 -5.02 115.26 117.16 1a57 n ASN 20 Ca 0.08 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.21 1a57 n ASN 20 Cb 0.49 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.66 1a57 n ASN 20 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1a57 s LEU 21 N -0.59 1.04 0.00 3.41 2.34 -1.26 -4.20 118.68 119.42 1a57 s LEU 21 Ca 0.00 -1.39 0.00 0.00 0.06 0.00 0.00 54.13 52.80 1a57 s LEU 21 Cb 0.00 1.02 0.00 0.00 -0.56 0.00 0.00 46.19 46.65 1a57 s LEU 21 CO 0.00 -1.08 0.00 2.29 -1.06 0.00 0.00 176.35 176.50 1a57 n LYS 22 N -0.44 0.00 -2.80 1.48 2.85 -1.26 -4.66 118.16 113.33 1a57 n LYS 22 Ca 0.02 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.06 1a57 n LYS 22 Cb 0.63 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 35.04 1a57 n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1a57 s LEU 23 N 0.00 3.44 0.00 -5.58 1.43 -0.89 -4.09 118.68 112.99 1a57 s LEU 23 Ca 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1a57 s LEU 23 Cb 0.00 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1a57 s LEU 23 CO 0.00 -0.95 0.00 0.41 0.23 0.00 0.00 176.35 176.04 1a57 n THR 24 N -2.21 0.00 -3.34 5.49 -1.04 -1.26 0.77 114.28 112.68 1a57 n THR 24 Ca 0.05 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.70 1a57 n THR 24 Cb 0.59 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.04 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 0.00 4.84 -0.47 12.58 1.09 -1.25 -3.72 121.20 134.27 1a57 s ILE 25 Ca 0.00 0.90 0.05 0.00 -1.10 0.00 0.00 60.65 60.50 1a57 s ILE 25 Cb 0.00 -3.76 0.19 0.00 -1.06 0.00 0.00 42.46 37.83 1a57 s ILE 25 CO 0.00 0.30 0.77 -0.89 -0.10 0.00 0.00 174.94 175.01 1a57 s THR 26 N -1.40 -0.88 0.53 2.92 2.01 -1.18 -2.63 115.64 115.01 1a57 s THR 26 Ca 0.36 -0.68 -0.20 0.00 0.31 0.00 0.00 61.69 61.49 1a57 s THR 26 Cb -0.16 0.00 -0.08 0.00 0.01 0.00 0.00 72.50 72.27 1a57 s THR 26 CO 0.19 0.00 0.78 0.00 -0.69 0.00 0.00 174.62 174.90 1a57 n GLN 27 N 3.21 0.83 -3.75 4.92 -0.00 -1.26 -4.63 117.38 116.70 1a57 n GLN 27 Ca 0.15 0.31 -0.30 0.00 -0.00 0.00 0.00 57.00 57.17 1a57 n GLN 27 Cb 0.58 -1.91 -0.15 0.00 -0.00 0.00 0.00 30.24 28.75 1a57 n GLN 27 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1a57 s GLU 28 N -2.24 0.76 4.65 2.61 2.12 -0.69 -4.90 118.70 121.02 1a57 s GLU 28 Ca 0.69 -1.02 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1a57 s GLU 28 Cb -0.48 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 31.86 1a57 s GLU 28 CO 0.53 -0.94 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 1a57 n GLY 29 N 4.85 1.90 0.13 -1.50 0.00 -1.26 -0.26 105.19 109.05 1a57 n GLY 29 Ca -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 7.94 0.93 -4.86 1.61 4.13 -1.26 -5.05 115.26 118.70 1a57 n ASN 30 Ca 0.00 -1.87 -0.31 0.00 1.68 0.00 0.00 54.58 54.08 1a57 n ASN 30 Cb 0.00 -0.13 -0.03 0.00 -1.54 0.00 0.00 39.78 38.09 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1a57 s LYS 31 N -0.77 3.83 -0.28 3.52 1.02 0.64 -0.69 119.74 127.01 1a57 s LYS 31 Ca 0.06 0.71 -0.00 0.00 0.02 0.00 0.00 55.97 56.76 1a57 s LYS 31 Cb 0.05 -2.24 0.17 0.00 -0.52 0.00 0.00 37.83 35.28 1a57 s LYS 31 CO 0.01 -0.20 0.49 0.12 -0.92 0.00 0.00 175.35 174.85 1a57 s PHE 32 N -2.58 -1.28 -0.04 3.18 2.19 -0.83 -1.70 117.98 116.92 1a57 s PHE 32 Ca 0.55 1.08 0.00 0.00 0.33 0.00 0.00 56.93 58.89 1a57 s PHE 32 Cb -0.10 0.22 -0.03 0.00 -1.31 0.00 0.00 43.02 41.79 1a57 s PHE 32 CO 0.34 -0.88 -0.01 -0.08 1.83 0.00 0.00 175.22 176.42 1a57 s THR 33 N 2.69 4.10 -0.06 0.12 -1.32 -1.26 -3.71 115.64 116.20 1a57 s THR 33 Ca 0.15 -0.48 0.02 0.00 -1.21 0.00 0.00 61.69 60.16 1a57 s THR 33 Cb -0.14 -2.77 -0.03 0.00 -1.51 0.00 0.00 72.50 68.05 1a57 s THR 33 CO -0.22 0.48 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.90 1a57 s VAL 34 N -0.98 3.52 -1.42 5.08 1.01 -1.07 -3.08 120.40 123.46 1a57 s VAL 34 Ca 0.16 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1a57 s VAL 34 Cb -0.11 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.90 1a57 s VAL 34 CO 0.06 0.59 2.39 1.17 0.00 0.00 0.00 175.10 179.32 1a57 n LYS 35 N 2.24 3.77 -1.50 2.72 4.81 -1.24 -3.39 118.16 125.57 1a57 n LYS 35 Ca -0.18 -2.96 -0.40 0.00 -0.87 0.00 0.00 58.31 53.91 1a57 n LYS 35 Cb 0.53 -2.88 -0.02 0.00 0.02 0.00 0.00 35.03 32.68 1a57 n LYS 35 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1a57 n GLU 36 N 3.61 3.71 -2.74 1.64 2.13 -1.26 -3.87 120.64 123.86 1a57 n GLU 36 Ca 0.59 -2.48 -0.42 0.00 0.66 0.00 0.00 57.16 55.52 1a57 n GLU 36 Cb 0.30 -2.85 -0.03 0.00 0.27 0.00 0.00 31.44 29.12 1a57 n GLU 36 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1a57 s SER 37 N 2.02 7.36 0.00 4.31 1.04 -1.23 -4.48 113.70 122.72 1a57 s SER 37 Ca 0.63 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.71 1a57 s SER 37 Cb 0.17 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1a57 s SER 37 CO -0.07 -0.21 0.00 -0.24 0.98 0.00 0.00 173.24 173.70 1a57 n SER 38 N 3.70 0.00 0.11 7.02 2.88 -0.44 -4.19 113.62 122.70 1a57 n SER 38 Ca 0.05 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.71 1a57 n SER 38 Cb 0.51 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.41 1a57 n SER 38 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1a57 n ASN 39 N 0.00 0.72 -3.10 -3.46 6.94 -1.26 -2.96 115.26 112.14 1a57 n ASN 39 Ca 0.00 0.61 -0.39 0.00 -0.02 0.00 0.00 54.58 54.78 1a57 n ASN 39 Cb 0.00 -0.79 0.03 0.00 -2.36 0.00 0.00 39.78 36.66 1a57 n ASN 39 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1a57 n PHE 40 N -2.22 2.81 -4.35 -2.53 3.01 -1.26 -5.00 117.46 107.92 1a57 n PHE 40 Ca 0.04 -2.37 0.00 0.00 1.01 0.00 0.00 57.45 56.13 1a57 n PHE 40 Cb 0.34 -1.22 0.00 0.00 -0.01 0.00 0.00 39.48 38.59 1a57 n PHE 40 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1a57 n ARG 41 N -0.24 0.00 0.05 -1.08 3.00 -1.16 -4.05 116.66 113.18 1a57 n ARG 41 Ca 0.52 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 58.28 1a57 n ARG 41 Cb 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.60 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 0.00 0.04 -6.47 0.55 2.35 -1.87 -1.16 115.58 109.03 1a57 h ASN 42 Ca 0.00 -0.05 -0.42 0.00 -0.55 0.00 0.00 56.30 55.28 1a57 h ASN 42 Cb 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1a57 h ASN 42 CO 0.00 1.04 -0.97 0.00 -1.65 0.00 0.00 177.43 175.85 1a57 n ILE 43 N -3.31 -2.80 -1.93 2.81 0.13 -1.26 -3.50 119.36 109.49 1a57 n ILE 43 Ca -0.04 -0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.18 1a57 n ILE 43 Cb 0.97 -2.51 -0.03 0.00 -0.84 0.00 0.00 39.64 37.24 1a57 n ILE 43 CO 0.00 0.00 0.00 -1.81 2.80 0.00 0.00 176.55 177.54 1a57 s ASP 44 N -2.69 6.20 -0.78 9.51 1.01 -1.26 -4.59 116.67 124.07 1a57 s ASP 44 Ca 0.03 1.86 -0.26 0.00 0.71 0.00 0.00 52.55 54.89 1a57 s ASP 44 Cb -0.00 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.40 1a57 s ASP 44 CO 0.77 -1.37 1.67 -0.69 0.21 0.00 0.00 175.17 175.77 1a57 s VAL 45 N 5.71 3.56 0.14 -1.27 1.01 -1.22 -4.91 120.40 123.43 1a57 s VAL 45 Ca 0.80 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.81 1a57 s VAL 45 Cb -0.30 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 1a57 s VAL 45 CO 0.33 -1.32 -0.13 0.54 0.00 0.00 0.00 175.10 174.52 1a57 s VAL 46 N 7.83 3.11 0.01 2.92 0.11 -1.26 -2.60 120.40 130.52 1a57 s VAL 46 Ca 0.57 -1.50 -0.04 0.00 -2.93 0.00 0.00 61.98 58.07 1a57 s VAL 46 Cb -0.08 -2.48 0.02 0.00 -1.53 0.00 0.00 36.38 32.31 1a57 s VAL 46 CO 0.09 0.02 0.21 2.22 -3.33 0.00 0.00 175.10 174.31 1a57 n PHE 47 N 0.48 -0.36 -3.63 1.54 1.16 -1.24 -5.01 117.46 110.40 1a57 n PHE 47 Ca -0.13 -0.15 -0.27 0.00 -1.87 0.00 0.00 57.45 55.02 1a57 n PHE 47 Cb 0.54 0.07 -0.10 0.00 -1.61 0.00 0.00 39.48 38.38 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 -0.15 1.68 -1.74 3.97 1.02 -1.26 -1.97 120.64 122.20 1a57 n GLU 48 Ca 0.00 -4.23 -0.08 0.00 -0.02 0.00 0.00 57.16 52.83 1a57 n GLU 48 Cb 0.10 -2.09 0.01 0.00 -0.02 0.00 0.00 31.44 29.43 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 1.74 -0.51 -1.45 -4.62 -0.00 0.14 -3.33 117.00 108.96 1a57 n LEU 49 Ca 0.24 -0.06 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 1a57 n LEU 49 Cb 0.40 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1a57 n LEU 49 CO 0.27 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.29 1a57 n GLY 50 N -0.15 0.41 0.08 -3.96 0.00 0.38 -4.80 105.19 97.15 1a57 n GLY 50 Ca -0.03 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.25 0.94 -0.69 1.61 3.14 -1.21 -5.00 118.33 115.87 1a57 n VAL 51 Ca 0.00 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 1a57 n VAL 51 Cb 0.48 -1.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 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 -2.88 -4.07 0.00 6.55 -0.08 -1.26 -5.04 116.55 109.77 1a57 n ASP 52 Ca -0.28 0.64 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 1a57 n ASP 52 Cb 0.83 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 42.72 1a57 n ASP 52 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1a57 n PHE 53 N -1.34 0.00 -3.74 -0.67 1.16 -1.22 -4.99 117.46 106.65 1a57 n PHE 53 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.34 1a57 n PHE 53 Cb 0.08 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 37.78 1a57 n PHE 53 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1a57 s ALA 54 N -1.83 0.73 -0.04 1.98 0.00 -1.26 -2.86 121.76 118.48 1a57 s ALA 54 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1a57 s ALA 54 Cb 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.28 1a57 s ALA 54 CO 0.00 -0.70 0.09 -0.47 0.00 0.00 0.00 175.76 174.68 1a57 s TYR 55 N 1.97 -0.08 -0.17 0.00 6.14 -1.26 -5.01 117.35 118.94 1a57 s TYR 55 Ca 0.03 0.30 -0.27 0.00 0.64 0.00 0.00 57.07 57.77 1a57 s TYR 55 Cb -0.14 -0.13 -0.01 0.00 0.42 0.00 0.00 41.96 42.11 1a57 s TYR 55 CO -0.06 -0.12 0.92 0.45 0.64 0.00 0.00 175.55 177.39 1a57 s SER 56 N 0.96 7.05 -0.09 4.32 0.15 -1.26 -3.23 113.70 121.60 1a57 s SER 56 Ca -0.08 1.30 -0.03 0.00 0.70 0.00 0.00 55.95 57.84 1a57 s SER 56 Cb -0.10 -2.50 -0.01 0.00 -1.71 0.00 0.00 66.02 61.70 1a57 s SER 56 CO -0.04 -0.49 -0.06 -0.07 1.20 0.00 0.00 173.24 173.79 1a57 h LEU 57 N 8.59 0.00 -3.95 3.45 3.38 -1.91 -3.39 115.31 121.47 1a57 h LEU 57 Ca -0.27 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.12 1a57 h LEU 57 Cb 1.11 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.57 1a57 h LEU 57 CO 0.88 0.48 0.65 0.00 0.09 0.00 0.00 178.44 180.53 1a57 n ALA 58 N -2.91 5.89 -1.91 1.53 0.00 -1.26 -4.82 120.51 117.02 1a57 n ALA 58 Ca -0.02 -3.27 -0.12 0.00 0.00 0.00 0.00 53.44 50.03 1a57 n ALA 58 Cb 0.08 -1.52 -0.02 0.00 0.00 0.00 0.00 19.45 17.99 1a57 n ALA 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a57 n ASP 59 N -1.01 -4.13 0.09 0.00 8.00 -1.26 -4.47 116.55 113.78 1a57 n ASP 59 Ca 0.59 0.11 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1a57 n ASP 59 Cb 1.07 -3.10 0.00 0.00 -0.02 0.00 0.00 41.12 39.07 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a57 n GLY 60 N -1.18 -1.63 0.00 0.44 0.00 -1.26 -5.04 105.19 96.52 1a57 n GLY 60 Ca -0.14 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1a57 n GLY 60 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a57 n THR 61 N -3.10 0.00 -0.80 2.61 -1.04 -1.26 -4.78 114.28 105.91 1a57 n THR 61 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1a57 n THR 61 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1a57 n THR 61 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1a57 n GLU 62 N -0.23 -1.48 -2.87 -2.82 4.07 -1.26 -4.26 120.64 111.79 1a57 n GLU 62 Ca 0.00 1.31 -0.12 0.00 -0.06 0.00 0.00 57.16 58.29 1a57 n GLU 62 Cb 0.00 -1.14 0.02 0.00 -0.06 0.00 0.00 31.44 30.26 1a57 n GLU 62 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1a57 n LEU 63 N 0.29 -2.04 -4.55 4.31 7.94 -1.18 -3.01 117.00 118.76 1a57 n LEU 63 Ca 0.00 -3.70 -0.34 0.00 -1.11 0.00 0.00 56.01 50.86 1a57 n LEU 63 Cb 0.00 0.79 -0.04 0.00 0.53 0.00 0.00 43.42 44.70 1a57 n LEU 63 CO 0.00 2.02 1.57 -0.89 -1.11 0.00 0.00 177.39 178.98 1a57 s THR 64 N 0.16 3.31 0.20 1.96 2.01 -1.18 -4.39 115.64 117.70 1a57 s THR 64 Ca 0.33 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.11 1a57 s THR 64 Cb 0.21 -3.78 0.06 0.00 0.01 0.00 0.00 72.50 69.00 1a57 s THR 64 CO -0.21 -0.75 0.93 -0.83 -0.69 0.00 0.00 174.62 173.07 1a57 s GLY 65 N 8.80 -0.11 0.01 4.40 0.00 -1.13 -3.91 107.32 115.39 1a57 s GLY 65 Ca 0.73 -0.09 0.03 0.00 0.00 0.00 0.00 44.72 45.40 1a57 s GLY 65 CO 0.15 0.34 -0.09 -1.08 0.00 0.00 0.00 173.10 172.43 1a57 s THR 66 N -3.12 0.67 -0.19 0.90 -1.32 -1.24 -3.44 115.64 107.90 1a57 s THR 66 Ca 0.14 -0.60 -0.02 0.00 -1.21 0.00 0.00 61.69 60.00 1a57 s THR 66 Cb -0.03 -0.61 -0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1a57 s THR 66 CO 0.04 0.02 -0.09 0.26 -2.21 0.00 0.00 174.62 172.64 1a57 s TRP 67 N -0.55 2.90 -0.48 9.09 0.23 -1.26 -3.17 118.94 125.69 1a57 s TRP 67 Ca -0.00 -1.00 0.04 0.00 -2.03 0.00 0.00 56.10 53.11 1a57 s TRP 67 Cb -0.05 -2.02 0.41 0.00 0.03 0.00 0.00 33.47 31.85 1a57 s TRP 67 CO 0.00 -0.52 1.25 0.25 0.96 0.00 0.00 176.95 178.90 1a57 n THR 68 N 4.49 2.57 -0.80 2.01 -2.24 -1.04 0.14 114.28 119.41 1a57 n THR 68 Ca -0.19 -4.76 -0.30 0.00 -2.27 0.00 0.00 64.05 56.54 1a57 n THR 68 Cb 0.51 -1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 67.45 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 -0.52 0.00 -3.34 -0.78 1.56 -1.26 -4.62 117.12 108.16 1a57 n MET 69 Ca 0.42 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.59 1a57 n MET 69 Cb 0.63 -0.73 -0.09 0.00 2.15 0.00 0.00 33.22 35.18 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 0.73 0.46 0.00 2.12 2.13 -0.78 -4.98 120.64 120.32 1a57 n GLU 70 Ca 0.11 -3.25 0.00 0.00 0.66 0.00 0.00 57.16 54.67 1a57 n GLU 70 Cb 0.07 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.24 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 2.28 2.17 1.59 8.31 0.00 -1.26 -1.22 105.19 117.05 1a57 n GLY 71 Ca 0.27 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 10.73 3.43 -4.22 1.61 4.13 -1.26 -4.85 115.26 124.82 1a57 n ASN 72 Ca 0.00 -2.80 -0.17 0.00 1.68 0.00 0.00 54.58 53.29 1a57 n ASN 72 Cb 0.00 -0.67 -0.11 0.00 -1.54 0.00 0.00 39.78 37.46 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 -1.80 0.98 -0.50 3.52 3.01 -0.36 -2.87 119.74 121.72 1a57 s LYS 73 Ca 0.30 -1.21 0.07 0.00 -1.01 0.00 0.00 55.97 54.12 1a57 s LYS 73 Cb 0.25 -0.82 0.25 0.00 -1.01 0.00 0.00 37.83 36.50 1a57 s LYS 73 CO 0.06 0.15 0.61 1.28 0.51 0.00 0.00 175.35 177.97 1a57 n LEU 74 N 0.57 1.75 -4.66 3.17 4.77 0.53 -1.86 117.00 121.27 1a57 n LEU 74 Ca -0.16 -5.02 -0.39 0.00 -0.03 0.00 0.00 56.01 50.41 1a57 n LEU 74 Cb 0.57 0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1a57 n LEU 74 CO 0.27 2.06 0.24 -0.69 -1.33 0.00 0.00 177.39 177.94 1a57 s VAL 75 N -1.72 5.10 -1.95 4.08 1.01 -1.26 -3.18 120.40 122.48 1a57 s VAL 75 Ca 0.37 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1a57 s VAL 75 Cb 0.16 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1a57 s VAL 75 CO -0.07 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1a57 n GLY 76 N 3.96 -1.06 3.65 4.51 0.00 -1.26 -2.51 105.19 112.48 1a57 n GLY 76 Ca -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.78 0.08 0.24 1.61 2.20 -1.19 -4.55 119.74 117.34 1a57 s LYS 77 Ca 0.00 0.11 0.05 0.00 -0.36 0.00 0.00 55.97 55.77 1a57 s LYS 77 Cb 0.00 0.02 -0.05 0.00 -1.51 0.00 0.00 37.83 36.29 1a57 s LYS 77 CO 0.00 -0.01 -0.05 -0.06 -0.36 0.00 0.00 175.35 174.87 1a57 s PHE 78 N 0.69 1.67 -0.18 4.03 0.40 -1.26 -3.58 117.98 119.75 1a57 s PHE 78 Ca -0.03 -0.80 -0.24 0.00 -0.60 0.00 0.00 56.93 55.27 1a57 s PHE 78 Cb -0.03 -0.94 0.06 0.00 0.51 0.00 0.00 43.02 42.62 1a57 s PHE 78 CO -0.12 0.12 0.62 0.21 0.70 0.00 0.00 175.22 176.75 1a57 s LYS 79 N -3.78 0.81 -0.67 0.44 2.36 -1.25 0.82 119.74 118.46 1a57 s LYS 79 Ca 0.27 0.65 -0.12 0.00 -2.55 0.00 0.00 55.97 54.22 1a57 s LYS 79 Cb 0.04 0.39 0.17 0.00 -1.05 0.00 0.00 37.83 37.39 1a57 s LYS 79 CO 0.09 -0.15 0.59 -0.98 1.55 0.00 0.00 175.35 176.44 1a57 s ARG 80 N -0.16 3.14 0.29 4.03 1.70 -1.16 -3.10 118.95 123.69 1a57 s ARG 80 Ca -0.04 -2.17 0.20 0.00 -0.47 0.00 0.00 55.73 53.26 1a57 s ARG 80 Cb -0.03 -4.23 0.99 0.00 -0.57 0.00 0.00 34.95 31.11 1a57 s ARG 80 CO 0.03 -1.27 1.06 1.55 -1.08 0.00 0.00 175.30 175.59 1a57 n VAL 81 N 4.39 -0.19 -0.35 4.99 3.14 -1.26 -0.61 118.33 128.43 1a57 n VAL 81 Ca 0.02 1.25 0.02 0.00 -2.96 0.00 0.00 64.34 62.68 1a57 n VAL 81 Cb 0.43 -2.05 0.09 0.00 -1.06 0.00 0.00 33.84 31.24 1a57 n VAL 81 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1a57 n ASP 82 N -4.14 -0.48 0.00 6.55 2.03 -1.26 -2.81 116.55 116.44 1a57 n ASP 82 Ca 0.27 1.64 0.00 0.00 0.52 0.00 0.00 54.79 57.22 1a57 n ASP 82 Cb 1.03 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1a57 n ASP 82 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1a57 n ASN 83 N -5.47 1.39 -0.94 1.67 3.02 0.22 -4.96 115.26 110.19 1a57 n ASN 83 Ca 0.12 -1.48 -0.05 0.00 -0.03 0.00 0.00 54.58 53.15 1a57 n ASN 83 Cb 0.43 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.61 1a57 n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a57 n GLY 84 N -0.24 0.44 0.00 7.41 0.00 -1.12 -4.99 105.19 106.69 1a57 n GLY 84 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.50 0.00 -1.17 1.61 3.00 -1.23 -4.95 118.16 113.91 1a57 n LYS 85 Ca -0.02 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1a57 n LYS 85 Cb 0.53 -0.82 0.00 0.00 0.00 0.00 0.00 35.03 34.73 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 -1.23 0.00 -2.50 1.64 1.02 -1.26 -3.93 120.64 114.38 1a57 n GLU 86 Ca 0.00 0.39 -0.36 0.00 -0.02 0.00 0.00 57.16 57.17 1a57 n GLU 86 Cb 0.00 -0.82 0.01 0.00 -0.02 0.00 0.00 31.44 30.61 1a57 n GLU 86 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1a57 n LEU 87 N -0.04 6.45 -4.75 -4.62 0.00 0.24 -4.07 117.00 110.20 1a57 n LEU 87 Ca 0.00 -5.29 -0.32 0.00 0.00 0.00 0.00 56.01 50.40 1a57 n LEU 87 Cb 0.00 -0.92 0.09 0.00 0.00 0.00 0.00 43.42 42.59 1a57 n LEU 87 CO 0.00 2.07 0.72 -0.63 0.00 0.00 0.00 177.39 179.54 1a57 s ILE 88 N -4.72 3.05 -0.54 1.96 1.01 -0.99 -4.09 121.20 116.88 1a57 s ILE 88 Ca 0.46 0.40 0.06 0.00 0.00 0.00 0.00 60.65 61.56 1a57 s ILE 88 Cb 0.30 -2.84 0.22 0.00 0.01 0.00 0.00 42.46 40.15 1a57 s ILE 88 CO -0.22 -0.39 0.55 0.00 0.00 0.00 0.00 174.94 174.89 1a57 n ALA 89 N -3.21 3.25 -2.17 9.38 0.00 -1.26 -1.25 120.51 125.24 1a57 n ALA 89 Ca 0.10 -4.02 -0.41 0.00 0.00 0.00 0.00 53.44 49.10 1a57 n ALA 89 Cb 0.52 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.42 3.76 -0.28 0.00 1.01 -0.07 -4.64 120.40 118.77 1a57 s VAL 90 Ca 0.34 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.44 1a57 s VAL 90 Cb 0.09 -3.90 0.19 0.00 0.00 0.00 0.00 36.38 32.76 1a57 s VAL 90 CO -0.11 0.19 1.35 -0.60 0.00 0.00 0.00 175.10 175.93 1a57 s ARG 91 N 0.18 0.10 -0.14 2.72 6.06 -1.19 -1.72 118.95 124.95 1a57 s ARG 91 Ca 0.54 0.03 -0.04 0.00 -2.50 0.00 0.00 55.73 53.77 1a57 s ARG 91 Cb -0.31 0.05 0.07 0.00 0.06 0.00 0.00 34.95 34.81 1a57 s ARG 91 CO 0.34 -0.03 0.18 -1.21 -2.50 0.00 0.00 175.30 172.08 1a57 s GLU 92 N -0.87 0.10 0.00 5.12 2.02 -1.26 0.20 118.70 124.01 1a57 s GLU 92 Ca 0.08 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.40 1a57 s GLU 92 Cb -0.01 -0.86 0.00 0.00 0.10 0.00 0.00 34.13 33.35 1a57 s GLU 92 CO -0.08 -0.50 0.00 -0.89 0.02 0.00 0.00 175.26 173.81 1a57 n ILE 93 N 5.32 0.00 -0.89 -1.63 2.08 -1.14 -4.62 119.36 118.48 1a57 n ILE 93 Ca -0.05 0.00 -0.40 0.00 0.56 0.00 0.00 62.75 62.86 1a57 n ILE 93 Cb 0.50 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 39.29 1a57 n ILE 93 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1a57 n SER 94 N 0.00 1.54 0.00 4.38 7.64 -0.62 -4.55 113.62 122.02 1a57 n SER 94 Ca 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.32 1a57 n SER 94 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1a57 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a57 n GLY 95 N 5.08 0.50 1.21 0.23 0.00 -1.26 -4.18 105.19 106.76 1a57 n GLY 95 Ca 0.47 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 1a57 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a57 n ASN 96 N 0.00 2.59 -3.60 1.61 4.13 -1.26 -4.93 115.26 113.80 1a57 n ASN 96 Ca 0.00 -3.74 -0.15 0.00 1.68 0.00 0.00 54.58 52.37 1a57 n ASN 96 Cb 0.00 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.53 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1a57 s GLU 97 N -3.23 0.96 -0.20 3.52 4.04 -1.26 -4.61 118.70 117.91 1a57 s GLU 97 Ca 0.45 -0.02 -0.07 0.00 0.04 0.00 0.00 54.97 55.38 1a57 s GLU 97 Cb 0.41 0.44 -0.04 0.00 0.02 0.00 0.00 34.13 34.96 1a57 s GLU 97 CO 0.01 -0.31 0.05 -1.17 -1.84 0.00 0.00 175.26 172.00 1a57 s LEU 98 N -1.49 3.62 0.00 1.83 0.20 -1.26 -1.58 118.68 119.99 1a57 s LEU 98 Ca -0.10 -0.04 0.00 0.00 0.69 0.00 0.00 54.13 54.68 1a57 s LEU 98 Cb -0.01 -1.93 0.00 0.00 -0.43 0.00 0.00 46.19 43.82 1a57 s LEU 98 CO 0.05 0.10 0.05 -0.38 -0.29 0.00 0.00 176.35 175.88 1a57 n ILE 99 N 4.02 0.00 0.00 6.68 -0.00 -1.26 -3.97 119.36 124.83 1a57 n ILE 99 Ca -0.16 0.12 0.00 0.00 -0.00 0.00 0.00 62.75 62.71 1a57 n ILE 99 Cb 0.52 -0.26 0.00 0.00 -0.00 0.00 0.00 39.64 39.90 1a57 n ILE 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1a57 n GLN 100 N -0.38 0.00 -3.77 0.38 6.02 -1.26 -4.17 117.38 114.20 1a57 n GLN 100 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 1a57 n GLN 100 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 1a57 n GLN 100 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1a57 s THR 101 N 0.00 3.40 -0.65 5.09 2.01 -0.70 -2.26 115.64 122.53 1a57 s THR 101 Ca 0.00 -1.83 -0.27 0.00 0.31 0.00 0.00 61.69 59.90 1a57 s THR 101 Cb 0.00 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 69.29 1a57 s THR 101 CO 0.00 -0.56 1.53 -0.31 -0.69 0.00 0.00 174.62 174.59 1a57 s TYR 102 N 1.21 2.04 -0.75 4.92 2.02 0.32 -0.89 117.35 126.22 1a57 s TYR 102 Ca 0.05 0.38 -0.24 0.00 -0.37 0.00 0.00 57.07 56.90 1a57 s TYR 102 Cb -0.22 -4.37 0.06 0.00 -0.40 0.00 0.00 41.96 37.03 1a57 s TYR 102 CO -0.03 -2.16 1.13 0.99 -1.57 0.00 0.00 175.55 173.92 1a57 s THR 103 N 7.06 4.14 -0.18 -0.71 2.01 -0.38 -3.24 115.64 124.33 1a57 s THR 103 Ca 0.51 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.22 1a57 s THR 103 Cb -0.11 -4.81 0.02 0.00 0.01 0.00 0.00 72.50 67.62 1a57 s THR 103 CO 0.20 -1.64 -0.19 -0.47 -0.69 0.00 0.00 174.62 171.83 1a57 s TYR 104 N 4.52 2.79 -1.07 4.92 5.04 -1.17 -3.23 117.35 129.15 1a57 s TYR 104 Ca 0.30 -1.68 0.00 0.00 -2.44 0.00 0.00 57.07 53.25 1a57 s TYR 104 Cb -0.11 -1.91 0.00 0.00 0.35 0.00 0.00 41.96 40.29 1a57 s TYR 104 CO 0.07 -0.81 0.00 0.39 -1.34 0.00 0.00 175.55 173.86 1a57 n GLU 105 N 4.61 -1.56 0.00 4.97 1.02 -1.25 -1.01 120.64 127.41 1a57 n GLU 105 Ca -0.20 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1a57 n GLU 105 Cb 0.49 -4.91 0.00 0.00 -0.02 0.00 0.00 31.44 27.00 1a57 n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a57 n GLY 106 N -0.37 0.97 3.96 0.62 0.00 -1.26 -5.11 105.19 104.00 1a57 n GLY 106 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 4.42 -0.50 1.61 1.01 -0.18 -5.03 120.40 119.73 1a57 s VAL 107 Ca 0.00 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1a57 s VAL 107 Cb 0.00 -3.60 0.35 0.00 0.00 0.00 0.00 36.38 33.13 1a57 s VAL 107 CO 0.00 -0.37 0.90 -0.62 0.00 0.00 0.00 175.10 175.01 1a57 n GLU 108 N -1.88 2.55 -2.81 2.72 1.02 -1.26 -3.06 120.64 117.92 1a57 n GLU 108 Ca -0.01 -4.36 -0.41 0.00 -0.02 0.00 0.00 57.16 52.35 1a57 n GLU 108 Cb 0.57 -2.05 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 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 -3.18 3.26 0.34 0.62 0.00 -1.20 -4.89 121.76 116.71 1a57 s ALA 109 Ca 0.46 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.83 1a57 s ALA 109 Cb 0.32 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 1a57 s ALA 109 CO -0.12 -0.28 0.08 -1.59 0.00 0.00 0.00 175.76 173.85 1a57 s LYS 110 N 1.17 1.69 -0.03 0.00 -2.85 -1.26 0.12 119.74 118.58 1a57 s LYS 110 Ca 0.47 -1.96 0.02 0.00 -1.00 0.00 0.00 55.97 53.49 1a57 s LYS 110 Cb -0.19 -0.75 0.01 0.00 -2.06 0.00 0.00 37.83 34.84 1a57 s LYS 110 CO 0.23 -0.27 -0.06 1.03 0.10 0.00 0.00 175.35 176.38 1a57 s ARG 111 N -3.87 0.78 -1.11 1.78 0.52 -0.96 -4.97 118.95 111.12 1a57 s ARG 111 Ca 0.33 -0.18 -0.18 0.00 -0.52 0.00 0.00 55.73 55.19 1a57 s ARG 111 Cb 0.07 -0.76 0.11 0.00 0.52 0.00 0.00 34.95 34.89 1a57 s ARG 111 CO 0.15 0.01 1.41 0.96 0.02 0.00 0.00 175.30 177.86 1a57 s ILE 112 N 0.49 4.52 0.75 1.52 -4.36 -1.26 -4.15 121.20 118.71 1a57 s ILE 112 Ca -0.07 -1.78 -0.01 0.00 -0.26 0.00 0.00 60.65 58.53 1a57 s ILE 112 Cb -0.10 -4.97 0.15 0.00 1.25 0.00 0.00 42.46 38.79 1a57 s ILE 112 CO 0.00 -1.74 1.03 -0.36 0.24 0.00 0.00 174.94 174.11 1a57 s PHE 113 N 3.18 1.33 0.00 1.37 0.08 -1.25 -5.04 117.98 117.64 1a57 s PHE 113 Ca 0.43 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.15 1a57 s PHE 113 Cb -0.01 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 1a57 s PHE 113 CO -0.03 -1.87 0.00 0.36 -0.10 0.00 0.00 175.22 173.58 1a57 n LYS 114 N -2.93 0.00 0.00 0.44 -0.00 -1.26 -4.44 118.16 109.98 1a57 n LYS 114 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1a57 n LYS 114 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.64 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 0.00 0.00 -1.58 4.81 -1.26 -1.74 118.16 118.39 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