#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 3.17 -1.74 0.00 3.01 -1.26 -4.24 117.46 116.41 1a57 n PHE 2 Ca 0.00 -2.87 -0.03 0.00 1.01 0.00 0.00 57.45 55.55 1a57 n PHE 2 Cb 0.00 -1.81 -0.03 0.00 -0.01 0.00 0.00 39.48 37.62 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 3.47 -0.47 0.00 4.37 5.75 -1.20 -4.38 116.55 124.09 1a57 n ASP 3 Ca 0.35 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 1a57 n ASP 3 Cb 0.37 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 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 0.00 3.20 3.98 6.12 0.00 0.07 -4.82 105.19 113.74 1a57 n GLY 4 Ca -0.13 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.67 3.77 0.21 2.61 -4.23 -1.26 -2.32 115.64 113.74 1a57 s THR 5 Ca 0.00 -0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 59.65 1a57 s THR 5 Cb 0.00 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 1a57 s THR 5 CO 0.00 -0.16 0.18 0.26 -0.54 0.00 0.00 174.62 174.35 1a57 s TRP 6 N -2.35 1.05 0.20 3.99 0.52 0.36 -4.20 118.94 118.51 1a57 s TRP 6 Ca 0.48 -1.29 0.00 0.00 0.02 0.00 0.00 56.10 55.32 1a57 s TRP 6 Cb -0.10 -0.46 0.00 0.00 -1.15 0.00 0.00 33.47 31.77 1a57 s TRP 6 CO 0.34 -0.69 0.00 1.63 0.02 0.00 0.00 176.95 178.25 1a57 n LYS 7 N -0.28 -1.72 -0.14 4.98 5.02 0.63 -2.86 118.16 123.79 1a57 n LYS 7 Ca 0.01 1.15 0.00 0.00 -2.02 0.00 0.00 58.31 57.45 1a57 n LYS 7 Cb 0.65 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.75 0.00 0.00 -0.18 3.14 -1.26 -4.62 118.33 112.66 1a57 n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1a57 n VAL 8 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 1a57 n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1a57 n ASP 9 N -0.23 0.00 -2.75 6.55 2.03 -1.26 -4.95 116.55 115.94 1a57 n ASP 9 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1a57 n ASP 9 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 1a57 n ASP 9 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1a57 n ARG 10 N 0.00 -1.28 -0.67 -0.67 1.74 -1.26 -4.92 116.66 109.61 1a57 n ARG 10 Ca 0.00 0.92 -0.29 0.00 -0.77 0.00 0.00 57.85 57.71 1a57 n ARG 10 Cb 0.00 -1.35 0.26 0.00 -1.02 0.00 0.00 32.46 30.34 1a57 n ARG 10 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1a57 s ASN 11 N -1.10 0.35 -1.07 0.55 -0.87 -1.26 -4.71 114.94 106.82 1a57 s ASN 11 Ca 0.24 1.04 -0.27 0.00 -1.57 0.00 0.00 52.86 52.30 1a57 s ASN 11 Cb -0.02 -1.55 -0.23 0.00 -0.02 0.00 0.00 41.25 39.42 1a57 s ASN 11 CO 0.59 -4.52 2.10 1.21 -2.57 0.00 0.00 177.10 173.91 1a57 n GLU 12 N -5.08 0.18 -2.70 -0.60 2.13 -1.26 -4.27 120.64 109.04 1a57 n GLU 12 Ca 0.09 -1.74 -0.05 0.00 0.66 0.00 0.00 57.16 56.12 1a57 n GLU 12 Cb 0.58 -3.92 0.10 0.00 0.27 0.00 0.00 31.44 28.47 1a57 n GLU 12 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1a57 n ASN 13 N 19.56 -0.77 -3.58 4.31 5.15 -1.26 -5.06 115.26 133.61 1a57 n ASN 13 Ca 0.41 -2.36 -0.24 0.00 -0.60 0.00 0.00 54.58 51.79 1a57 n ASN 13 Cb 0.47 0.46 -0.16 0.00 -0.53 0.00 0.00 39.78 40.02 1a57 n ASN 13 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1a57 s TYR 14 N -0.89 0.05 0.01 1.20 6.14 -1.26 -5.13 117.35 117.48 1a57 s TYR 14 Ca 0.19 -0.15 -0.20 0.00 0.64 0.00 0.00 57.07 57.55 1a57 s TYR 14 Cb 0.41 -0.59 -0.06 0.00 0.42 0.00 0.00 41.96 42.14 1a57 s TYR 14 CO -0.08 -0.53 0.57 0.45 0.64 0.00 0.00 175.55 176.60 1a57 s SER 15 N 2.19 6.98 -1.01 4.32 0.15 -1.26 -3.66 113.70 121.40 1a57 s SER 15 Ca 0.03 1.16 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1a57 s SER 15 Cb -0.16 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1a57 s SER 15 CO -0.10 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1a57 n GLY 16 N 2.23 0.31 3.64 9.45 0.00 -1.26 -4.95 105.19 114.62 1a57 n GLY 16 Ca -0.08 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.51 3.59 -0.54 4.61 0.00 -1.24 -4.92 121.76 120.75 1a57 s ALA 17 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1a57 s ALA 17 Cb 0.00 -3.54 0.53 0.00 0.00 0.00 0.00 23.12 20.10 1a57 s ALA 17 CO 0.00 -1.22 1.90 -2.39 0.00 0.00 0.00 175.76 174.05 1a57 n HIS 18 N 6.49 3.00 -3.15 0.00 1.44 -1.26 -4.83 115.22 116.90 1a57 n HIS 18 Ca 0.10 -2.49 0.05 0.00 -2.01 0.00 0.00 57.72 53.37 1a57 n HIS 18 Cb 0.47 -1.15 -0.01 0.00 0.12 0.00 0.00 29.99 29.42 1a57 n HIS 18 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1a57 s ASP 19 N -1.83 -0.79 -0.28 4.39 -1.08 -1.26 -5.07 116.67 110.75 1a57 s ASP 19 Ca 0.60 0.42 -0.21 0.00 -0.52 0.00 0.00 52.55 52.84 1a57 s ASP 19 Cb 0.49 1.63 0.10 0.00 -1.46 0.00 0.00 42.92 43.68 1a57 s ASP 19 CO 0.03 -0.15 0.86 0.54 0.52 0.00 0.00 175.17 176.98 1a57 s ASN 20 N 2.92 -0.66 0.11 -0.34 4.22 -1.26 -5.17 114.94 114.76 1a57 s ASN 20 Ca 0.09 1.16 0.01 0.00 -2.14 0.00 0.00 52.86 51.98 1a57 s ASN 20 Cb -0.11 1.22 -0.00 0.00 1.28 0.00 0.00 41.25 43.64 1a57 s ASN 20 CO -0.16 -0.19 0.13 0.00 -2.04 0.00 0.00 177.10 174.83 1a57 n LEU 21 N 3.13 0.00 0.00 3.54 -0.00 -1.26 -4.59 117.00 117.82 1a57 n LEU 21 Ca -0.16 -0.98 0.00 0.00 -0.00 0.00 0.00 56.01 54.87 1a57 n LEU 21 Cb 0.57 0.69 0.00 0.00 -0.00 0.00 0.00 43.42 44.67 1a57 n LEU 21 CO 0.01 -0.19 0.00 2.29 -0.00 0.00 0.00 177.39 179.50 1a57 n LYS 22 N -0.20 0.00 -4.16 1.47 2.85 -1.26 -4.73 118.16 112.13 1a57 n LYS 22 Ca 0.01 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.11 1a57 n LYS 22 Cb 0.19 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.46 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 2.31 0.00 -5.58 1.43 -1.13 -2.77 118.68 112.93 1a57 s LEU 23 Ca 0.00 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1a57 s LEU 23 Cb 0.00 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1a57 s LEU 23 CO 0.00 -0.14 0.00 0.41 0.23 0.00 0.00 176.35 176.85 1a57 n THR 24 N 1.10 0.00 -2.67 5.49 -1.04 -1.26 0.14 114.28 116.04 1a57 n THR 24 Ca -0.20 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.52 1a57 n THR 24 Cb 0.55 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.05 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 4.85 -0.38 12.58 1.09 -0.98 -4.15 121.20 134.21 1a57 s ILE 25 Ca 0.00 0.41 -0.03 0.00 -1.10 0.00 0.00 60.65 59.93 1a57 s ILE 25 Cb 0.00 -3.82 0.22 0.00 -1.06 0.00 0.00 42.46 37.81 1a57 s ILE 25 CO 0.00 -0.75 1.06 0.41 -0.10 0.00 0.00 174.94 175.56 1a57 n THR 26 N -1.93 0.00 -1.45 2.92 -1.04 -1.26 -0.75 114.28 110.78 1a57 n THR 26 Ca 0.02 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.11 1a57 n THR 26 Cb 0.55 0.82 0.00 0.00 -1.82 0.00 0.00 70.33 69.87 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 2.36 0.55 0.00 -2.82 10.64 -1.26 -4.85 117.38 122.00 1a57 n GLN 27 Ca 0.10 0.20 0.08 0.00 -1.83 0.00 0.00 57.00 55.55 1a57 n GLN 27 Cb 0.65 -1.46 -0.05 0.00 -0.86 0.00 0.00 30.24 28.51 1a57 n GLN 27 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1a57 n GLU 28 N 0.67 1.69 0.00 2.61 0.00 -1.19 -4.91 120.64 119.51 1a57 n GLU 28 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 57.16 56.88 1a57 n GLU 28 Cb 0.38 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.55 1a57 n GLU 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a57 n GLY 29 N 1.28 0.43 0.00 8.31 0.00 -1.26 -4.80 105.19 109.15 1a57 n GLY 29 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1a57 n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a57 n ASN 30 N 0.00 0.00 -4.53 1.61 0.23 -1.26 -5.01 115.26 106.30 1a57 n ASN 30 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.62 1a57 n ASN 30 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1a57 s LYS 31 N -0.66 3.83 -0.13 -3.83 1.02 -1.26 -1.21 119.74 117.51 1a57 s LYS 31 Ca 0.00 -1.82 -0.18 0.00 0.02 0.00 0.00 55.97 53.98 1a57 s LYS 31 Cb 0.00 -5.28 -0.04 0.00 -0.52 0.00 0.00 37.83 31.99 1a57 s LYS 31 CO 0.00 -2.06 0.48 -0.06 -0.92 0.00 0.00 175.35 172.80 1a57 s PHE 32 N 3.63 3.50 -0.16 3.18 0.40 -1.24 -3.17 117.98 124.12 1a57 s PHE 32 Ca 0.46 0.88 -0.02 0.00 -0.60 0.00 0.00 56.93 57.65 1a57 s PHE 32 Cb -0.00 -2.57 0.05 0.00 0.51 0.00 0.00 43.02 41.01 1a57 s PHE 32 CO -0.02 0.14 -0.00 -0.08 0.70 0.00 0.00 175.22 175.96 1a57 s THR 33 N 0.72 0.69 0.42 0.64 -1.32 -1.26 -3.86 115.64 111.67 1a57 s THR 33 Ca 0.26 -0.43 -0.11 0.00 -1.21 0.00 0.00 61.69 60.20 1a57 s THR 33 Cb -0.15 -1.01 -0.07 0.00 -1.51 0.00 0.00 72.50 69.77 1a57 s THR 33 CO 0.10 0.01 0.79 -0.69 -2.21 0.00 0.00 174.62 172.63 1a57 s VAL 34 N 1.81 4.76 -1.10 5.08 1.01 -1.11 -4.08 120.40 126.77 1a57 s VAL 34 Ca 0.01 0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.75 1a57 s VAL 34 Cb -0.15 -3.73 0.33 0.00 0.00 0.00 0.00 36.38 32.83 1a57 s VAL 34 CO -0.07 -0.54 1.10 1.17 0.00 0.00 0.00 175.10 176.76 1a57 n LYS 35 N -1.32 2.39 -1.51 2.72 4.81 -1.26 -3.55 118.16 120.44 1a57 n LYS 35 Ca 0.03 -1.29 -0.23 0.00 -0.87 0.00 0.00 58.31 55.94 1a57 n LYS 35 Cb 0.54 -1.65 -0.18 0.00 0.02 0.00 0.00 35.03 33.76 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 0.32 0.13 -3.89 1.64 1.02 -1.24 -4.21 120.64 114.41 1a57 n GLU 36 Ca 0.12 -0.15 -0.36 0.00 -0.02 0.00 0.00 57.16 56.74 1a57 n GLU 36 Cb 0.54 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 1a57 n GLU 36 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1a57 s SER 37 N 3.46 6.37 0.00 1.62 0.01 -1.12 -4.32 113.70 119.73 1a57 s SER 37 Ca 1.24 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.93 1a57 s SER 37 Cb -0.75 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1a57 s SER 37 CO 0.46 0.37 0.00 -0.24 0.41 0.00 0.00 173.24 174.24 1a57 n SER 38 N 1.69 0.22 -1.33 2.44 2.88 -1.26 -4.54 113.62 113.72 1a57 n SER 38 Ca -0.17 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.29 1a57 n SER 38 Cb 0.54 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.20 1a57 n SER 38 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a57 n ASN 39 N 0.00 2.62 0.00 -3.46 4.13 -1.26 -4.29 115.26 113.00 1a57 n ASN 39 Ca 0.00 -3.78 0.00 0.00 1.68 0.00 0.00 54.58 52.48 1a57 n ASN 39 Cb 0.00 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 1a57 n ASN 39 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1a57 n PHE 40 N -1.13 0.00 -0.95 3.10 3.72 -1.26 -4.98 117.46 115.95 1a57 n PHE 40 Ca 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.77 1a57 n PHE 40 Cb 1.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.67 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 -1.47 0.12 -1.13 -1.08 3.00 -1.26 -4.93 116.66 109.90 1a57 n ARG 41 Ca 0.00 -0.48 -0.05 0.00 -0.01 0.00 0.00 57.85 57.32 1a57 n ARG 41 Cb 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 32.46 31.92 1a57 n ARG 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1a57 n ASN 42 N -0.02 -3.63 -3.51 0.55 3.02 -1.26 -4.77 115.26 105.64 1a57 n ASN 42 Ca 0.00 0.11 -0.34 0.00 -0.03 0.00 0.00 54.58 54.32 1a57 n ASN 42 Cb 0.45 -1.54 -0.11 0.00 -0.61 0.00 0.00 39.78 37.97 1a57 n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a57 n ILE 43 N -2.84 0.00 -3.14 2.41 3.06 -1.26 -4.56 119.36 113.02 1a57 n ILE 43 Ca -0.05 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 59.84 1a57 n ILE 43 Cb 0.16 -0.39 -0.06 0.00 0.54 0.00 0.00 39.64 39.89 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 6.72 7.02 -0.20 9.51 1.11 -1.26 -4.59 116.67 134.98 1a57 s ASP 44 Ca 1.05 1.36 -0.11 0.00 0.18 0.00 0.00 52.55 55.03 1a57 s ASP 44 Cb -1.02 -2.40 -0.05 0.00 1.07 0.00 0.00 42.92 40.53 1a57 s ASP 44 CO 0.40 0.04 0.19 -0.69 1.18 0.00 0.00 175.17 176.30 1a57 s VAL 45 N -1.52 5.36 0.06 -1.27 1.01 -1.23 -5.00 120.40 117.81 1a57 s VAL 45 Ca 0.42 0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.69 1a57 s VAL 45 Cb -0.16 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1a57 s VAL 45 CO 0.21 0.39 -0.04 0.54 0.00 0.00 0.00 175.10 176.19 1a57 s VAL 46 N 0.65 0.34 -2.32 2.92 0.11 -1.26 -2.74 120.40 118.11 1a57 s VAL 46 Ca 0.10 -1.79 0.00 0.00 -2.93 0.00 0.00 61.98 57.36 1a57 s VAL 46 Cb -0.12 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.23 1a57 s VAL 46 CO 0.02 -0.94 0.00 2.22 -3.33 0.00 0.00 175.10 173.07 1a57 n PHE 47 N 0.15 0.00 -3.67 1.54 1.16 -1.25 -5.06 117.46 110.33 1a57 n PHE 47 Ca -0.14 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.17 1a57 n PHE 47 Cb 0.61 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.37 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 1.74 0.00 3.97 1.02 -1.26 -3.66 120.64 122.46 1a57 n GLU 48 Ca 0.00 -4.30 0.00 0.00 -0.02 0.00 0.00 57.16 52.84 1a57 n GLU 48 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.28 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 1.75 0.00 -4.00 -4.62 -0.00 -0.35 -3.44 117.00 106.34 1a57 n LEU 49 Ca 0.24 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.82 1a57 n LEU 49 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 1a57 n LEU 49 CO 0.28 0.00 2.22 0.61 -0.00 0.00 0.00 177.39 180.50 1a57 n GLY 50 N 0.00 4.08 2.84 -3.96 0.00 -1.26 -3.94 105.19 102.95 1a57 n GLY 50 Ca 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 2.43 -0.46 0.50 1.61 1.01 -1.22 -5.09 120.40 119.18 1a57 s VAL 51 Ca 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 1a57 s VAL 51 Cb 0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1a57 s VAL 51 CO -0.02 -0.16 0.78 1.51 0.00 0.00 0.00 175.10 177.21 1a57 s ASP 52 N 2.44 5.89 0.00 3.32 -4.77 -1.26 -4.29 116.67 118.00 1a57 s ASP 52 Ca 0.09 0.63 0.00 0.00 -3.30 0.00 0.00 52.55 49.98 1a57 s ASP 52 Cb -0.15 -1.83 0.00 0.00 -1.09 0.00 0.00 42.92 39.85 1a57 s ASP 52 CO -0.14 -0.77 0.00 2.22 0.70 0.00 0.00 175.17 177.18 1a57 n PHE 53 N -2.30 0.00 -3.74 2.11 1.16 0.20 -4.98 117.46 109.92 1a57 n PHE 53 Ca 0.02 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.26 1a57 n PHE 53 Cb 0.57 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.35 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 -2.00 3.91 0.18 1.98 0.00 -1.26 -0.88 121.76 123.68 1a57 s ALA 54 Ca 0.00 -3.64 -0.07 0.00 0.00 0.00 0.00 51.96 48.25 1a57 s ALA 54 Cb 0.00 -2.60 -0.06 0.00 0.00 0.00 0.00 23.12 20.46 1a57 s ALA 54 CO 0.00 -2.12 0.45 -0.47 0.00 0.00 0.00 175.76 173.62 1a57 s TYR 55 N -0.93 3.45 -0.71 0.00 6.14 -1.25 -4.93 117.35 119.12 1a57 s TYR 55 Ca 0.23 0.68 -0.04 0.00 0.64 0.00 0.00 57.07 58.58 1a57 s TYR 55 Cb -0.12 -2.10 0.18 0.00 0.42 0.00 0.00 41.96 40.34 1a57 s TYR 55 CO -0.10 0.37 0.56 0.45 0.64 0.00 0.00 175.55 177.47 1a57 s SER 56 N -2.42 5.62 0.00 4.32 0.15 -1.26 -1.93 113.70 118.18 1a57 s SER 56 Ca 0.44 -3.02 0.00 0.00 0.70 0.00 0.00 55.95 54.06 1a57 s SER 56 Cb -0.12 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1a57 s SER 56 CO 0.23 -0.36 0.63 0.18 1.20 0.00 0.00 173.24 175.13 1a57 n LEU 57 N 3.30 0.20 0.00 3.45 7.99 -1.26 -4.88 117.00 125.81 1a57 n LEU 57 Ca 0.12 0.66 0.00 0.00 -0.01 0.00 0.00 56.01 56.78 1a57 n LEU 57 Cb 0.39 -0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.48 1a57 n LEU 57 CO 0.34 -0.22 0.00 0.00 -1.51 0.00 0.00 177.39 176.00 1a57 n ALA 58 N -1.15 0.00 0.04 -1.18 0.00 -1.26 -4.97 120.51 111.99 1a57 n ALA 58 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1a57 n ALA 58 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 0.00 2.69 -2.71 0.00 2.03 -1.26 -4.65 116.55 112.65 1a57 n ASP 59 Ca 0.00 -1.84 -0.07 0.00 0.52 0.00 0.00 54.79 53.41 1a57 n ASP 59 Cb 0.00 -0.17 0.08 0.00 -0.72 0.00 0.00 41.12 40.30 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 0.65 -0.58 0.39 0.27 0.00 -1.26 -5.05 105.19 99.61 1a57 n GLY 60 Ca 0.11 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 1.14 0.00 -2.55 2.61 -2.24 -1.26 -5.04 114.28 106.94 1a57 n THR 61 Ca 0.04 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.66 1a57 n THR 61 Cb 0.69 -0.56 0.01 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.51 -2.43 -2.14 -0.78 2.13 -1.17 -4.06 120.64 110.69 1a57 n GLU 62 Ca 0.00 0.73 -0.30 0.00 0.66 0.00 0.00 57.16 58.25 1a57 n GLU 62 Cb 0.00 -5.11 -0.05 0.00 0.27 0.00 0.00 31.44 26.55 1a57 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1a57 s LEU 63 N -4.83 3.19 -0.23 4.31 1.02 -0.81 -4.11 118.68 117.22 1a57 s LEU 63 Ca 0.11 -1.40 -0.29 0.00 0.02 0.00 0.00 54.13 52.57 1a57 s LEU 63 Cb -0.05 -2.58 -0.02 0.00 0.02 0.00 0.00 46.19 43.57 1a57 s LEU 63 CO 0.13 -2.70 1.47 -0.89 0.02 0.00 0.00 176.35 174.39 1a57 s THR 64 N 9.71 3.91 0.00 5.49 2.01 -1.19 -3.89 115.64 131.68 1a57 s THR 64 Ca 0.66 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.70 1a57 s THR 64 Cb -0.02 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1a57 s THR 64 CO 0.07 -0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 1a57 n GLY 65 N 4.40 4.22 3.65 4.40 0.00 -0.06 -3.64 105.19 118.16 1a57 n GLY 65 Ca 0.17 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.10 0.00 -0.14 2.61 -1.32 -1.26 -0.63 115.64 113.81 1a57 s THR 66 Ca 0.00 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.44 1a57 s THR 66 Cb 0.00 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.05 1a57 s THR 66 CO 0.00 0.00 0.10 0.26 -2.21 0.00 0.00 174.62 172.77 1a57 s TRP 67 N 0.99 0.08 -0.91 9.09 0.52 -1.25 -3.62 118.94 123.83 1a57 s TRP 67 Ca -0.08 -0.04 -0.03 0.00 0.02 0.00 0.00 56.10 55.97 1a57 s TRP 67 Cb -0.02 -0.57 0.25 0.00 -1.15 0.00 0.00 33.47 31.98 1a57 s TRP 67 CO -0.09 -0.43 2.17 0.25 0.02 0.00 0.00 176.95 178.87 1a57 n THR 68 N 5.29 4.62 -1.31 2.01 -2.24 -1.21 -4.42 114.28 117.03 1a57 n THR 68 Ca -0.06 -4.58 -0.56 0.00 -2.27 0.00 0.00 64.05 56.58 1a57 n THR 68 Cb 0.49 -1.55 -0.13 0.00 -2.10 0.00 0.00 70.33 67.05 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 0.26 0.01 -3.86 -0.78 0.00 -1.26 -4.81 117.12 106.68 1a57 n MET 69 Ca 0.52 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.95 1a57 n MET 69 Cb 0.30 -1.51 -0.17 0.00 0.00 0.00 0.00 33.22 31.85 1a57 n MET 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1a57 s GLU 70 N 6.69 1.27 7.40 2.12 2.56 -1.25 -4.97 118.70 132.52 1a57 s GLU 70 Ca 1.24 -0.39 0.00 0.00 0.00 0.00 0.00 54.97 55.81 1a57 s GLU 70 Cb -1.44 -1.83 0.00 0.00 2.00 0.00 0.00 34.13 32.86 1a57 s GLU 70 CO 0.62 -0.41 0.00 0.41 -0.56 0.00 0.00 175.26 175.31 1a57 n GLY 71 N 4.94 3.19 2.76 -1.50 0.00 -1.26 -1.90 105.19 111.43 1a57 n GLY 71 Ca -0.11 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 4.39 7.36 -4.26 1.61 4.13 -1.26 -4.97 115.26 122.26 1a57 n ASN 72 Ca 0.00 -3.67 -0.19 0.00 1.68 0.00 0.00 54.58 52.41 1a57 n ASN 72 Cb 0.00 -1.13 -0.10 0.00 -1.54 0.00 0.00 39.78 37.01 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 -3.59 1.55 -0.35 3.52 3.01 -0.80 -2.80 119.74 120.28 1a57 s LYS 73 Ca 0.50 -1.86 0.14 0.00 -1.01 0.00 0.00 55.97 53.74 1a57 s LYS 73 Cb 0.36 -0.39 0.43 0.00 -1.01 0.00 0.00 37.83 37.22 1a57 s LYS 73 CO -0.31 -0.32 1.29 1.28 0.51 0.00 0.00 175.35 177.80 1a57 n LEU 74 N -0.58 -0.62 -4.73 3.17 4.77 0.42 -3.91 117.00 115.51 1a57 n LEU 74 Ca -0.01 -3.39 -0.41 0.00 -0.03 0.00 0.00 56.01 52.17 1a57 n LEU 74 Cb 0.66 0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.90 1a57 n LEU 74 CO 0.38 1.66 0.90 -0.69 -1.33 0.00 0.00 177.39 178.31 1a57 s VAL 75 N -1.06 3.58 -5.00 4.08 1.01 -1.26 -4.08 120.40 117.67 1a57 s VAL 75 Ca 0.20 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1a57 s VAL 75 Cb 0.41 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1a57 s VAL 75 CO -0.07 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1a57 n GLY 76 N 2.40 -0.34 3.65 4.51 0.00 -1.26 -3.28 105.19 110.86 1a57 n GLY 76 Ca 0.05 -1.12 -0.01 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 0.25 0.31 1.61 2.20 -1.24 -4.57 119.74 116.31 1a57 s LYS 77 Ca 0.00 0.41 0.09 0.00 -0.36 0.00 0.00 55.97 56.11 1a57 s LYS 77 Cb 0.00 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 1a57 s LYS 77 CO 0.00 -0.05 0.09 -0.06 -0.36 0.00 0.00 175.35 174.97 1a57 s PHE 78 N 1.05 2.71 -0.22 4.03 0.40 -1.26 -3.78 117.98 120.91 1a57 s PHE 78 Ca -0.06 -0.32 -0.28 0.00 -0.60 0.00 0.00 56.93 55.66 1a57 s PHE 78 Cb -0.03 -1.48 0.14 0.00 0.51 0.00 0.00 43.02 42.16 1a57 s PHE 78 CO -0.12 0.44 1.11 0.21 0.70 0.00 0.00 175.22 177.56 1a57 s LYS 79 N -3.78 0.43 -0.51 0.44 2.20 -1.24 0.35 119.74 117.63 1a57 s LYS 79 Ca 0.35 0.22 -0.19 0.00 -0.36 0.00 0.00 55.97 56.00 1a57 s LYS 79 Cb -0.04 0.21 0.07 0.00 -1.51 0.00 0.00 37.83 36.55 1a57 s LYS 79 CO 0.22 -0.11 0.61 1.03 -0.36 0.00 0.00 175.35 176.73 1a57 s ARG 80 N -0.67 3.10 -1.31 4.03 0.52 0.69 -3.20 118.95 122.11 1a57 s ARG 80 Ca 0.02 -0.99 -0.17 0.00 -0.52 0.00 0.00 55.73 54.06 1a57 s ARG 80 Cb -0.02 -4.12 0.03 0.00 0.52 0.00 0.00 34.95 31.36 1a57 s ARG 80 CO -0.03 -1.24 1.92 1.33 0.02 0.00 0.00 175.30 177.30 1a57 n VAL 81 N 5.56 3.49 0.00 3.52 0.24 -1.26 -2.16 118.33 127.72 1a57 n VAL 81 Ca -0.08 -3.43 0.00 0.00 -2.04 0.00 0.00 64.34 58.79 1a57 n VAL 81 Cb 0.45 -2.41 0.00 0.00 -1.47 0.00 0.00 33.84 30.41 1a57 n VAL 81 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1a57 n ASP 82 N 8.21 0.00 0.00 -1.34 5.68 -1.26 -5.04 116.55 122.80 1a57 n ASP 82 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 1a57 n ASP 82 Cb 0.44 0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1a57 n ASP 82 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1a57 n ASN 83 N -1.81 0.00 -0.07 -1.12 6.94 -1.02 -4.98 115.26 113.19 1a57 n ASN 83 Ca 0.00 -0.05 -0.22 0.00 -0.02 0.00 0.00 54.58 54.29 1a57 n ASN 83 Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 1a57 n ASN 83 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a57 n GLY 84 N 0.00 -0.59 4.66 4.83 0.00 -1.12 -5.06 105.19 107.92 1a57 n GLY 84 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.81 0.00 -1.96 1.61 3.00 -0.92 -4.85 118.16 111.23 1a57 n LYS 85 Ca -0.38 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.57 1a57 n LYS 85 Cb 0.92 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.98 1a57 n LYS 85 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1a57 s GLU 86 N 0.00 3.05 -0.17 1.64 2.02 -1.26 -0.22 118.70 123.76 1a57 s GLU 86 Ca 0.00 1.93 0.23 0.00 0.02 0.00 0.00 54.97 57.15 1a57 s GLU 86 Cb 0.00 -2.04 0.46 0.00 0.10 0.00 0.00 34.13 32.65 1a57 s GLU 86 CO 0.00 -1.17 1.15 1.28 0.02 0.00 0.00 175.26 176.54 1a57 n LEU 87 N -1.38 1.14 -4.40 1.80 4.77 0.16 -4.06 117.00 115.03 1a57 n LEU 87 Ca 0.12 -2.66 -0.32 0.00 -0.03 0.00 0.00 56.01 53.12 1a57 n LEU 87 Cb 0.48 0.28 0.15 0.00 -2.33 0.00 0.00 43.42 42.01 1a57 n LEU 87 CO 0.47 0.91 -0.12 -0.38 -1.33 0.00 0.00 177.39 176.94 1a57 n ILE 88 N -0.27 0.00 -3.13 -0.08 5.41 -1.15 -4.34 119.36 115.80 1a57 n ILE 88 Ca 0.04 -0.23 -0.20 0.00 1.00 0.00 0.00 62.75 63.36 1a57 n ILE 88 Cb 0.92 -0.68 -0.03 0.00 -0.71 0.00 0.00 39.64 39.13 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 -4.05 2.66 -1.93 -1.39 0.00 -1.26 -3.42 120.51 111.12 1a57 n ALA 89 Ca 0.05 -3.72 -0.42 0.00 0.00 0.00 0.00 53.44 49.35 1a57 n ALA 89 Cb 0.56 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.93 3.45 -0.26 0.00 1.01 -1.07 -4.49 120.40 116.11 1a57 s VAL 90 Ca 0.42 0.54 -0.38 0.00 0.00 0.00 0.00 61.98 62.56 1a57 s VAL 90 Cb 0.33 -3.39 0.15 0.00 0.00 0.00 0.00 36.38 33.48 1a57 s VAL 90 CO -0.09 -0.10 1.35 -0.60 0.00 0.00 0.00 175.10 175.66 1a57 s ARG 91 N 4.44 0.08 -0.07 2.72 6.06 -1.26 -2.66 118.95 128.26 1a57 s ARG 91 Ca 0.78 -0.03 -0.05 0.00 -2.50 0.00 0.00 55.73 53.93 1a57 s ARG 91 Cb -0.33 0.04 0.03 0.00 0.06 0.00 0.00 34.95 34.74 1a57 s ARG 91 CO 0.32 -0.04 0.17 -1.83 -2.50 0.00 0.00 175.30 171.43 1a57 s GLU 92 N -2.11 0.16 -0.30 5.12 -1.05 -1.26 0.16 118.70 119.42 1a57 s GLU 92 Ca 0.12 0.33 -0.28 0.00 -0.15 0.00 0.00 54.97 54.99 1a57 s GLU 92 Cb -0.00 -0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.60 1a57 s GLU 92 CO -0.03 -0.10 2.07 -1.50 0.95 0.00 0.00 175.26 176.65 1a57 s ILE 93 N 0.69 3.19 -0.70 1.83 1.10 -1.12 -4.66 121.20 121.53 1a57 s ILE 93 Ca -0.05 0.19 -0.08 0.00 -0.51 0.00 0.00 60.65 60.20 1a57 s ILE 93 Cb -0.07 -3.28 0.18 0.00 0.15 0.00 0.00 42.46 39.45 1a57 s ILE 93 CO -0.04 -0.19 0.57 -0.55 -2.11 0.00 0.00 174.94 172.62 1a57 s SER 94 N 7.83 5.89 0.00 4.50 0.15 -1.08 -4.92 113.70 126.07 1a57 s SER 94 Ca 0.92 -2.72 0.00 0.00 0.70 0.00 0.00 55.95 54.85 1a57 s SER 94 Cb -0.27 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1a57 s SER 94 CO 0.33 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1a57 n GLY 95 N 3.79 0.58 2.56 9.45 0.00 -1.26 -4.30 105.19 116.01 1a57 n GLY 95 Ca 0.09 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 1a57 n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a57 n ASN 96 N 0.00 2.77 0.00 1.61 6.94 -1.26 -4.72 115.26 120.60 1a57 n ASN 96 Ca 0.00 -3.22 0.00 0.00 -0.02 0.00 0.00 54.58 51.34 1a57 n ASN 96 Cb 0.00 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 36.89 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1a57 n GLU 97 N -0.15 0.00 -3.90 -3.83 -0.00 -1.26 -3.87 120.64 107.62 1a57 n GLU 97 Ca 0.24 0.00 -0.35 0.00 -0.00 0.00 0.00 57.16 57.05 1a57 n GLU 97 Cb 0.67 0.00 -0.14 0.00 -0.00 0.00 0.00 31.44 31.97 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 2.92 0.00 -1.84 0.20 -1.26 -2.63 118.68 116.07 1a57 s LEU 98 Ca 0.00 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.44 1a57 s LEU 98 Cb 0.00 -1.75 0.00 0.00 -0.43 0.00 0.00 46.19 44.01 1a57 s LEU 98 CO 0.00 -0.02 0.26 -0.38 -0.29 0.00 0.00 176.35 175.92 1a57 n ILE 99 N 4.79 0.00 0.00 6.68 5.41 -1.26 -4.21 119.36 130.77 1a57 n ILE 99 Ca -0.18 0.76 0.00 0.00 1.00 0.00 0.00 62.75 64.33 1a57 n ILE 99 Cb 0.51 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 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 -0.34 0.00 -3.20 0.38 1.13 -1.26 -3.67 117.38 110.43 1a57 n GLN 100 Ca 0.00 0.00 -0.45 0.00 -1.94 0.00 0.00 57.00 54.61 1a57 n GLN 100 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 1a57 n GLN 100 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1a57 s THR 101 N 0.00 5.53 -0.01 5.09 2.01 -1.09 -4.30 115.64 122.87 1a57 s THR 101 Ca 0.00 -2.74 -0.30 0.00 0.31 0.00 0.00 61.69 58.96 1a57 s THR 101 Cb 0.00 -4.65 -0.07 0.00 0.01 0.00 0.00 72.50 67.79 1a57 s THR 101 CO 0.00 -1.27 1.70 -0.31 -0.69 0.00 0.00 174.62 174.05 1a57 s TYR 102 N 0.25 1.97 -1.12 4.92 1.51 -0.72 -2.60 117.35 121.56 1a57 s TYR 102 Ca 0.30 0.12 -0.05 0.00 -1.01 0.00 0.00 57.07 56.42 1a57 s TYR 102 Cb -0.08 -3.98 0.28 0.00 -0.11 0.00 0.00 41.96 38.07 1a57 s TYR 102 CO -0.07 -4.14 1.53 2.41 -1.11 0.00 0.00 175.55 174.17 1a57 n THR 103 N 5.30 5.13 -3.60 -0.71 -1.04 -1.22 -2.08 114.28 116.06 1a57 n THR 103 Ca 0.17 -5.64 -0.36 0.00 -2.04 0.00 0.00 64.05 56.18 1a57 n THR 103 Cb 0.42 -2.16 -0.07 0.00 -1.82 0.00 0.00 70.33 66.70 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 -2.13 3.47 0.00 -1.42 6.14 -1.26 -4.19 117.35 117.95 1a57 s TYR 104 Ca 0.33 0.55 0.00 0.00 0.64 0.00 0.00 57.07 58.58 1a57 s TYR 104 Cb 0.05 -2.28 0.00 0.00 0.42 0.00 0.00 41.96 40.15 1a57 s TYR 104 CO 0.08 0.29 0.00 0.39 0.64 0.00 0.00 175.55 176.95 1a57 n GLU 105 N 3.41 -2.30 -1.65 4.97 1.02 -1.26 -0.28 120.64 124.55 1a57 n GLU 105 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1a57 n GLU 105 Cb 0.52 -3.29 0.00 0.00 -0.02 0.00 0.00 31.44 28.65 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 -0.33 0.75 0.49 0.62 0.00 -1.26 -4.98 105.19 100.47 1a57 n GLY 106 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 1a57 n GLY 106 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a57 n VAL 107 N -3.15 0.84 -2.12 1.61 0.31 0.62 -5.03 118.33 111.42 1a57 n VAL 107 Ca 0.00 -0.22 -0.01 0.00 -0.01 0.00 0.00 64.34 64.10 1a57 n VAL 107 Cb 0.40 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 1a57 n VAL 107 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1a57 n GLU 108 N -3.62 -0.13 -0.69 5.55 2.13 -1.22 -5.00 120.64 117.66 1a57 n GLU 108 Ca -0.30 0.05 -0.29 0.00 0.66 0.00 0.00 57.16 57.28 1a57 n GLU 108 Cb 0.72 -3.43 0.22 0.00 0.27 0.00 0.00 31.44 29.22 1a57 n GLU 108 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a57 s ALA 109 N -2.23 0.26 0.00 4.31 0.00 -0.88 -4.77 121.76 118.45 1a57 s ALA 109 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1a57 s ALA 109 Cb -0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1a57 s ALA 109 CO 0.01 -3.39 0.00 1.63 0.00 0.00 0.00 175.76 174.01 1a57 n LYS 110 N -4.62 0.00 0.00 0.00 5.02 -1.26 -1.76 118.16 115.54 1a57 n LYS 110 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1a57 n LYS 110 Cb 0.54 -0.08 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1a57 n LYS 110 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1a57 n ARG 111 N -2.34 0.00 -3.37 1.97 3.00 -1.26 -4.31 116.66 110.34 1a57 n ARG 111 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1a57 n ARG 111 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1a57 n ARG 111 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1a57 s ILE 112 N 0.00 -0.86 0.48 5.15 2.07 -1.26 -4.86 121.20 121.92 1a57 s ILE 112 Ca 0.00 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.30 1a57 s ILE 112 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1a57 s ILE 112 CO 0.00 0.00 0.35 -0.36 -1.91 0.00 0.00 174.94 173.02 1a57 s PHE 113 N 2.83 2.14 0.00 3.50 0.08 -1.24 -5.07 117.98 120.21 1a57 s PHE 113 Ca 0.05 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.41 1a57 s PHE 113 Cb -0.12 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 1a57 s PHE 113 CO -0.19 -0.23 0.00 0.36 -0.10 0.00 0.00 175.22 175.06 1a57 n LYS 114 N -1.59 0.00 -0.81 0.44 -0.00 -1.26 -4.41 118.16 110.53 1a57 n LYS 114 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1a57 n LYS 114 Cb 0.64 0.00 0.11 0.00 -0.00 0.00 0.00 35.03 35.78 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 -0.01 -0.92 0.00 -1.58 4.81 -1.25 -0.27 118.16 118.95 1a57 n LYS 115 Ca 0.00 -0.26 0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1a57 n LYS 115 Cb 0.00 -1.42 0.22 0.00 0.02 0.00 0.00 35.03 33.85 1a57 n LYS 115 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96