#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 -1.96 -2.69 0.00 3.72 -1.26 -5.08 117.46 110.19 1a57 n PHE 2 Ca 0.00 -0.96 -0.05 0.00 -0.05 0.00 0.00 57.45 56.39 1a57 n PHE 2 Cb 0.00 1.26 0.10 0.00 -0.94 0.00 0.00 39.48 39.90 1a57 n PHE 2 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1a57 n ASP 3 N 2.64 -1.66 0.00 4.37 5.68 -0.99 -3.22 116.55 123.37 1a57 n ASP 3 Ca 0.13 -2.56 0.00 0.00 -0.50 0.00 0.00 54.79 51.86 1a57 n ASP 3 Cb 0.62 1.44 0.00 0.00 -1.14 0.00 0.00 41.12 42.04 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 0.38 0.00 1.45 6.12 0.00 -1.18 -4.97 105.19 106.98 1a57 n GLY 4 Ca -0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.69 -3.59 2.61 -2.24 -1.26 -4.73 114.28 104.38 1a57 n THR 5 Ca 0.00 0.82 -0.17 0.00 -2.27 0.00 0.00 64.05 62.44 1a57 n THR 5 Cb 0.00 -1.30 -0.07 0.00 -2.10 0.00 0.00 70.33 66.86 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 -4.08 -0.55 0.35 4.78 0.52 0.23 -3.81 118.94 116.38 1a57 s TRP 6 Ca 0.00 0.99 0.00 0.00 0.02 0.00 0.00 56.10 57.11 1a57 s TRP 6 Cb 0.00 0.32 0.00 0.00 -1.15 0.00 0.00 33.47 32.64 1a57 s TRP 6 CO 0.00 -0.53 0.00 1.63 0.02 0.00 0.00 176.95 178.07 1a57 n LYS 7 N 1.16 -2.94 -0.95 4.98 5.02 -1.22 -0.67 118.16 123.54 1a57 n LYS 7 Ca -0.19 1.97 0.00 0.00 -2.02 0.00 0.00 58.31 58.07 1a57 n LYS 7 Cb 0.57 -3.58 0.00 0.00 -0.02 0.00 0.00 35.03 32.00 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 -4.25 0.00 0.04 -0.18 3.14 -1.26 -4.75 118.33 111.07 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 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.45 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 -1.78 -0.68 -4.51 6.55 -0.08 -1.26 -5.06 116.55 109.72 1a57 n ASP 9 Ca 0.00 0.20 -0.54 0.00 -1.51 0.00 0.00 54.79 52.94 1a57 n ASP 9 Cb 0.00 0.90 -0.06 0.00 2.34 0.00 0.00 41.12 44.30 1a57 n ASP 9 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1a57 n ARG 10 N -2.55 0.43 -3.54 -0.67 1.74 -1.26 -4.99 116.66 105.83 1a57 n ARG 10 Ca 0.00 0.15 -0.13 0.00 -0.77 0.00 0.00 57.85 57.10 1a57 n ARG 10 Cb 0.00 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 29.80 1a57 n ARG 10 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1a57 s ASN 11 N -0.09 -0.48 0.00 0.55 2.20 -1.26 -5.12 114.94 110.73 1a57 s ASN 11 Ca 0.82 0.43 0.00 0.00 -0.94 0.00 0.00 52.86 53.17 1a57 s ASN 11 Cb -1.07 0.42 0.00 0.00 -2.00 0.00 0.00 41.25 38.59 1a57 s ASN 11 CO 0.54 -0.52 0.00 1.21 -2.94 0.00 0.00 177.10 175.40 1a57 n GLU 12 N 0.59 1.35 -2.09 3.55 2.13 -1.26 -4.83 120.64 120.09 1a57 n GLU 12 Ca -0.14 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.26 1a57 n GLU 12 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 1a57 n GLU 12 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1a57 n ASN 13 N 0.00 4.51 -0.64 4.31 4.13 -1.26 -4.80 115.26 121.52 1a57 n ASN 13 Ca 0.00 -2.97 0.08 0.00 1.68 0.00 0.00 54.58 53.37 1a57 n ASN 13 Cb 0.00 -1.58 -0.03 0.00 -1.54 0.00 0.00 39.78 36.63 1a57 n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a57 n TYR 14 N 5.21 -1.68 -4.70 3.10 9.36 -1.26 -4.95 117.16 122.24 1a57 n TYR 14 Ca 0.46 0.89 0.00 0.00 3.32 0.00 0.00 57.90 62.57 1a57 n TYR 14 Cb 0.38 -1.53 0.00 0.00 -0.63 0.00 0.00 39.34 37.57 1a57 n TYR 14 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1a57 n SER 15 N -3.24 -0.72 0.00 2.98 2.88 -1.26 -4.99 113.62 109.27 1a57 n SER 15 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1a57 n SER 15 Cb 0.30 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 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 0.00 4.27 2.70 0.46 0.00 -1.26 -4.39 105.19 106.97 1a57 n GLY 16 Ca 0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.72 5.48 -3.60 4.61 0.00 -1.26 -4.98 120.51 119.04 1a57 n ALA 17 Ca 0.00 -4.39 -0.12 0.00 0.00 0.00 0.00 53.44 48.93 1a57 n ALA 17 Cb 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 1a57 n ALA 17 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1a57 s HIS 18 N -3.76 -0.82 -0.79 0.00 0.00 -1.26 -5.11 115.29 103.55 1a57 s HIS 18 Ca 0.48 1.87 -0.19 0.00 -3.00 0.00 0.00 55.06 54.22 1a57 s HIS 18 Cb 0.36 0.36 0.12 0.00 -4.00 0.00 0.00 32.58 29.42 1a57 s HIS 18 CO -0.23 -0.40 0.97 -0.51 -1.00 0.00 0.00 174.74 173.56 1a57 s ASP 19 N 0.75 6.46 0.28 7.38 1.01 -1.26 -5.00 116.67 126.29 1a57 s ASP 19 Ca -0.03 -1.77 0.08 0.00 0.71 0.00 0.00 52.55 51.54 1a57 s ASP 19 Cb -0.05 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1a57 s ASP 19 CO -0.05 -1.10 0.17 0.54 0.21 0.00 0.00 175.17 174.94 1a57 s ASN 20 N 3.48 5.15 0.31 0.27 4.22 -1.26 -5.09 114.94 122.02 1a57 s ASN 20 Ca 0.24 -0.46 0.00 0.00 -2.14 0.00 0.00 52.86 50.51 1a57 s ASN 20 Cb -0.12 -1.10 -0.00 0.00 1.28 0.00 0.00 41.25 41.31 1a57 s ASN 20 CO -0.02 -0.13 0.40 0.00 -2.04 0.00 0.00 177.10 175.31 1a57 n LEU 21 N -1.16 0.00 -3.79 3.54 -0.00 -1.26 -4.84 117.00 109.50 1a57 n LEU 21 Ca -0.06 -2.65 -0.13 0.00 -0.00 0.00 0.00 56.01 53.18 1a57 n LEU 21 Cb 0.59 2.13 -0.11 0.00 -0.00 0.00 0.00 43.42 46.02 1a57 n LEU 21 CO 0.42 -0.57 -0.08 -0.54 -0.00 0.00 0.00 177.39 176.62 1a57 s LYS 22 N -2.84 0.30 0.35 1.47 1.02 -1.26 -4.38 119.74 114.41 1a57 s LYS 22 Ca 0.29 0.34 0.05 0.00 0.02 0.00 0.00 55.97 56.67 1a57 s LYS 22 Cb -0.00 0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 1a57 s LYS 22 CO 0.20 -0.04 0.50 -0.51 -0.92 0.00 0.00 175.35 174.59 1a57 s LEU 23 N 0.10 3.94 0.00 3.17 1.43 0.15 -3.97 118.68 123.51 1a57 s LEU 23 Ca -0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1a57 s LEU 23 Cb -0.02 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1a57 s LEU 23 CO 0.00 -0.45 0.00 0.41 0.23 0.00 0.00 176.35 176.54 1a57 n THR 24 N -1.72 0.00 -4.20 5.49 -1.04 -1.26 0.74 114.28 112.29 1a57 n THR 24 Ca -0.01 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.72 1a57 n THR 24 Cb 0.58 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.01 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 3.68 -0.49 12.58 1.09 -1.26 -3.56 121.20 133.23 1a57 s ILE 25 Ca 0.00 -1.33 0.05 0.00 -1.10 0.00 0.00 60.65 58.27 1a57 s ILE 25 Cb 0.00 -2.81 0.19 0.00 -1.06 0.00 0.00 42.46 38.79 1a57 s ILE 25 CO 0.00 -0.03 0.78 -0.89 -0.10 0.00 0.00 174.94 174.71 1a57 s THR 26 N -1.55 -0.88 -0.05 2.92 2.01 -1.24 -2.35 115.64 114.50 1a57 s THR 26 Ca 0.26 -0.86 -0.36 0.00 0.31 0.00 0.00 61.69 61.04 1a57 s THR 26 Cb -0.10 0.00 -0.14 0.00 0.01 0.00 0.00 72.50 72.27 1a57 s THR 26 CO 0.17 0.00 1.69 0.00 -0.69 0.00 0.00 174.62 175.80 1a57 n GLN 27 N 2.92 1.76 -3.98 4.92 10.64 -1.20 -4.70 117.38 127.74 1a57 n GLN 27 Ca 0.17 0.64 -0.34 0.00 -1.83 0.00 0.00 57.00 55.64 1a57 n GLN 27 Cb 0.57 -2.40 -0.14 0.00 -0.86 0.00 0.00 30.24 27.41 1a57 n GLN 27 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1a57 s GLU 28 N 2.64 2.43 6.83 2.61 2.56 -1.23 -4.85 118.70 129.69 1a57 s GLU 28 Ca 0.90 -1.24 0.00 0.00 0.00 0.00 0.00 54.97 54.62 1a57 s GLU 28 Cb -0.82 -3.03 0.00 0.00 2.00 0.00 0.00 34.13 32.28 1a57 s GLU 28 CO 0.51 -0.56 0.00 0.41 -0.56 0.00 0.00 175.26 175.06 1a57 n GLY 29 N 4.56 2.11 2.67 -1.50 0.00 -1.26 -2.27 105.19 109.50 1a57 n GLY 29 Ca -0.14 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 9.93 3.57 -4.25 1.61 3.02 -1.26 -5.05 115.26 122.83 1a57 n ASN 30 Ca 0.00 -3.48 -0.14 0.00 -0.03 0.00 0.00 54.58 50.93 1a57 n ASN 30 Cb 0.00 -0.60 -0.10 0.00 -0.61 0.00 0.00 39.78 38.47 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1a57 s LYS 31 N -2.96 1.07 -0.49 3.52 2.47 -0.96 -4.11 119.74 118.28 1a57 s LYS 31 Ca 0.45 -1.48 0.06 0.00 -1.56 0.00 0.00 55.97 53.44 1a57 s LYS 31 Cb 0.25 -0.46 0.23 0.00 -1.46 0.00 0.00 37.83 36.38 1a57 s LYS 31 CO -0.10 -0.02 0.81 0.34 0.16 0.00 0.00 175.35 176.54 1a57 n PHE 32 N -0.21 -3.21 -2.40 4.03 7.35 -1.18 -3.50 117.46 118.34 1a57 n PHE 32 Ca -0.09 -1.82 -0.40 0.00 -0.76 0.00 0.00 57.45 54.38 1a57 n PHE 32 Cb 0.62 1.38 -0.04 0.00 0.35 0.00 0.00 39.48 41.78 1a57 n PHE 32 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1a57 s THR 33 N 0.59 3.35 -0.04 -2.13 2.01 -1.26 -4.55 115.64 113.61 1a57 s THR 33 Ca 0.32 1.33 0.07 0.00 0.31 0.00 0.00 61.69 63.72 1a57 s THR 33 Cb 0.16 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1a57 s THR 33 CO -0.19 0.31 -0.25 0.54 -0.69 0.00 0.00 174.62 174.34 1a57 s VAL 34 N -1.03 2.04 -0.99 3.82 0.11 -0.72 -3.61 120.40 120.01 1a57 s VAL 34 Ca 0.46 -1.08 0.06 0.00 -2.93 0.00 0.00 61.98 58.50 1a57 s VAL 34 Cb -0.33 -1.71 0.30 0.00 -1.53 0.00 0.00 36.38 33.10 1a57 s VAL 34 CO 0.43 0.57 1.02 1.17 -3.33 0.00 0.00 175.10 174.96 1a57 n LYS 35 N 2.76 2.31 -1.53 1.54 4.81 -1.23 -2.36 118.16 124.45 1a57 n LYS 35 Ca -0.17 -1.16 -0.22 0.00 -0.87 0.00 0.00 58.31 55.90 1a57 n LYS 35 Cb 0.52 -1.67 -0.14 0.00 0.02 0.00 0.00 35.03 33.76 1a57 n LYS 35 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1a57 n GLU 36 N 0.26 0.32 -2.39 1.64 0.28 -1.26 -4.43 120.64 115.06 1a57 n GLU 36 Ca 0.10 -0.33 -0.33 0.00 -0.16 0.00 0.00 57.16 56.44 1a57 n GLU 36 Cb 0.53 -2.34 -0.03 0.00 1.43 0.00 0.00 31.44 31.04 1a57 n GLU 36 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1a57 s SER 37 N 6.35 6.34 -0.30 -1.84 0.15 -1.25 -4.71 113.70 118.44 1a57 s SER 37 Ca 1.14 1.75 -0.12 0.00 0.70 0.00 0.00 55.95 59.42 1a57 s SER 37 Cb -0.55 -2.53 0.18 0.00 -1.71 0.00 0.00 66.02 61.41 1a57 s SER 37 CO 0.34 -0.78 1.06 -0.55 1.20 0.00 0.00 173.24 174.51 1a57 s SER 38 N -2.59 -0.40 0.00 5.45 0.15 -0.76 -4.74 113.70 110.81 1a57 s SER 38 Ca 0.63 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1a57 s SER 38 Cb -0.13 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 1a57 s SER 38 CO 0.28 -0.07 0.00 0.59 1.20 0.00 0.00 173.24 175.23 1a57 n ASN 39 N 5.18 0.00 -4.56 5.45 4.13 -1.26 -4.42 115.26 119.79 1a57 n ASN 39 Ca 0.06 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.93 1a57 n ASN 39 Cb 0.57 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.78 1a57 n ASN 39 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1a57 s PHE 40 N 0.00 2.37 0.00 3.10 0.40 -1.26 -4.87 117.98 117.72 1a57 s PHE 40 Ca 0.00 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 1a57 s PHE 40 Cb 0.00 -4.58 0.00 0.00 0.51 0.00 0.00 43.02 38.95 1a57 s PHE 40 CO 0.00 -1.94 0.00 0.54 0.70 0.00 0.00 175.22 174.52 1a57 n ARG 41 N 8.95 0.00 0.00 0.44 3.00 -1.26 -3.91 116.66 123.88 1a57 n ARG 41 Ca 0.30 0.00 0.12 0.00 -0.01 0.00 0.00 57.85 58.26 1a57 n ARG 41 Cb 0.50 0.00 0.21 0.00 0.00 0.00 0.00 32.46 33.17 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 -3.34 0.93 -0.26 0.55 3.02 -1.26 -1.82 115.26 113.09 1a57 n ASN 42 Ca 0.00 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1a57 n ASN 42 Cb 0.00 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.04 0.00 -1.76 2.41 0.13 -1.25 -4.07 119.36 113.78 1a57 n ILE 43 Ca 0.08 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.31 1a57 n ILE 43 Cb 0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.12 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 0.00 6.48 -0.53 9.51 1.11 -1.26 -4.80 116.67 127.18 1a57 s ASP 44 Ca 0.00 2.65 -0.23 0.00 0.18 0.00 0.00 52.55 55.15 1a57 s ASP 44 Cb 0.00 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.48 1a57 s ASP 44 CO 0.00 -0.99 0.86 -0.69 1.18 0.00 0.00 175.17 175.53 1a57 s VAL 45 N 3.30 4.51 0.18 -1.27 1.01 -1.00 -4.96 120.40 122.17 1a57 s VAL 45 Ca 0.81 0.16 0.10 0.00 0.00 0.00 0.00 61.98 63.05 1a57 s VAL 45 Cb -0.43 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 1a57 s VAL 45 CO 0.37 -1.00 -0.19 0.54 0.00 0.00 0.00 175.10 174.81 1a57 s VAL 46 N 3.61 2.64 0.00 2.92 0.11 -1.26 -1.76 120.40 126.66 1a57 s VAL 46 Ca 0.27 -1.85 0.00 0.00 -2.93 0.00 0.00 61.98 57.48 1a57 s VAL 46 Cb -0.14 -2.27 0.00 0.00 -1.53 0.00 0.00 36.38 32.45 1a57 s VAL 46 CO 0.18 -0.08 0.00 2.22 -3.33 0.00 0.00 175.10 174.10 1a57 n PHE 47 N 0.30 -0.02 -3.48 1.54 -1.74 -1.26 -5.05 117.46 107.76 1a57 n PHE 47 Ca -0.13 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.50 1a57 n PHE 47 Cb 0.55 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.46 1a57 n PHE 47 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1a57 n GLU 48 N 0.00 1.70 0.00 3.97 1.02 -1.26 -3.12 120.64 122.95 1a57 n GLU 48 Ca 0.00 -4.14 0.00 0.00 -0.02 0.00 0.00 57.16 53.00 1a57 n GLU 48 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 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 1.46 0.00 -3.72 -4.62 -0.00 -1.26 -3.99 117.00 104.87 1a57 n LEU 49 Ca 0.26 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.98 1a57 n LEU 49 Cb 0.43 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.73 1a57 n LEU 49 CO 0.29 0.00 -0.18 -0.83 -0.00 0.00 0.00 177.39 176.67 1a57 s GLY 50 N 0.00 2.08 -0.19 -3.96 0.00 -1.26 -2.76 107.32 101.22 1a57 s GLY 50 Ca 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 44.72 41.62 1a57 s GLY 50 CO 0.00 1.47 0.06 1.55 0.00 0.00 0.00 173.10 176.18 1a57 n VAL 51 N 2.78 1.63 -0.97 1.40 3.14 -1.26 -5.05 118.33 120.00 1a57 n VAL 51 Ca 0.17 -0.58 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 1a57 n VAL 51 Cb 0.38 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 31.55 1a57 n VAL 51 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1a57 n ASP 52 N -3.44 -5.08 -3.63 6.55 8.00 -1.26 -5.05 116.55 112.64 1a57 n ASP 52 Ca -0.39 0.58 -0.10 0.00 0.71 0.00 0.00 54.79 55.59 1a57 n ASP 52 Cb 1.00 -2.13 -0.07 0.00 -0.02 0.00 0.00 41.12 39.90 1a57 n ASP 52 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1a57 s PHE 53 N -0.85 -0.50 0.25 1.24 -0.71 0.11 -4.99 117.98 112.53 1a57 s PHE 53 Ca 0.00 1.20 -0.09 0.00 -1.04 0.00 0.00 56.93 57.00 1a57 s PHE 53 Cb 0.00 0.36 -0.07 0.00 -1.21 0.00 0.00 43.02 42.10 1a57 s PHE 53 CO 0.00 -0.25 0.57 0.00 -1.34 0.00 0.00 175.22 174.19 1a57 s ALA 54 N 0.16 3.56 -0.29 1.99 0.00 -1.26 -2.68 121.76 123.24 1a57 s ALA 54 Ca 0.03 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.46 1a57 s ALA 54 Cb -0.05 -2.43 0.15 0.00 0.00 0.00 0.00 23.12 20.79 1a57 s ALA 54 CO -0.05 0.42 1.07 -0.47 0.00 0.00 0.00 175.76 176.73 1a57 s TYR 55 N -1.91 -0.44 -0.88 0.00 5.04 -1.26 -4.96 117.35 112.94 1a57 s TYR 55 Ca 0.47 0.96 -0.18 0.00 -2.44 0.00 0.00 57.07 55.88 1a57 s TYR 55 Cb -0.11 0.35 0.14 0.00 0.35 0.00 0.00 41.96 42.68 1a57 s TYR 55 CO 0.23 -0.22 1.05 0.45 -1.34 0.00 0.00 175.55 175.73 1a57 s SER 56 N 0.73 6.59 0.00 4.32 0.15 -1.26 -1.83 113.70 122.40 1a57 s SER 56 Ca -0.02 -2.02 0.00 0.00 0.70 0.00 0.00 55.95 54.61 1a57 s SER 56 Cb -0.04 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1a57 s SER 56 CO -0.11 -1.03 0.00 0.18 1.20 0.00 0.00 173.24 173.47 1a57 n LEU 57 N 6.31 0.00 0.00 3.45 4.32 -1.26 -4.57 117.00 125.25 1a57 n LEU 57 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1a57 n LEU 57 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1a57 n LEU 57 CO 0.50 0.00 0.17 0.00 -1.22 0.00 0.00 177.39 176.83 1a57 n ALA 58 N -3.00 0.00 -1.03 -1.18 0.00 -1.26 -4.54 120.51 109.50 1a57 n ALA 58 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1a57 n ALA 58 Cb 0.00 0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.56 0.86 0.00 0.00 2.03 -1.26 -4.93 116.55 112.69 1a57 n ASP 59 Ca 0.00 -1.83 0.00 0.00 0.52 0.00 0.00 54.79 53.48 1a57 n ASP 59 Cb 0.00 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 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 -0.36 0.03 0.34 0.27 0.00 -1.26 -5.08 105.19 99.13 1a57 n GLY 60 Ca 0.03 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1a57 n GLY 60 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1a57 h THR 61 N 0.00 0.00 -4.56 2.61 1.35 -1.83 -3.48 112.91 107.01 1a57 h THR 61 Ca 0.00 -0.34 -0.25 0.00 -0.55 0.00 0.00 66.41 65.26 1a57 h THR 61 Cb 0.00 0.00 0.11 0.00 -1.73 0.00 0.00 68.15 66.53 1a57 h THR 61 CO 0.00 0.00 -0.53 -0.62 -0.25 0.00 0.00 175.52 174.12 1a57 n GLU 62 N -5.16 -5.06 -3.33 4.72 -0.58 -0.76 -4.68 120.64 105.79 1a57 n GLU 62 Ca -0.10 0.60 -0.46 0.00 -0.42 0.00 0.00 57.16 56.78 1a57 n GLU 62 Cb 0.32 -4.91 -0.01 0.00 -0.57 0.00 0.00 31.44 26.28 1a57 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1a57 s LEU 63 N -5.24 6.49 -0.46 -4.62 1.02 -1.20 -4.06 118.68 110.62 1a57 s LEU 63 Ca 0.14 -3.23 -0.28 0.00 0.02 0.00 0.00 54.13 50.78 1a57 s LEU 63 Cb -0.06 -2.21 -0.01 0.00 0.02 0.00 0.00 46.19 43.92 1a57 s LEU 63 CO 0.52 -0.41 1.75 -0.89 0.02 0.00 0.00 176.35 177.35 1a57 s THR 64 N -0.66 3.50 0.00 5.49 2.01 -1.25 -4.24 115.64 120.50 1a57 s THR 64 Ca 0.26 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1a57 s THR 64 Cb -0.10 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1a57 s THR 64 CO -0.08 -0.69 0.00 0.61 -0.69 0.00 0.00 174.62 173.77 1a57 n GLY 65 N 5.47 2.41 3.64 4.40 0.00 -1.09 -3.97 105.19 116.05 1a57 n GLY 65 Ca 0.21 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.08 0.00 -0.44 2.61 -1.32 -1.26 0.09 115.64 113.24 1a57 s THR 66 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1a57 s THR 66 Cb 0.00 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.11 1a57 s THR 66 CO 0.00 0.00 0.21 0.26 -2.21 0.00 0.00 174.62 172.88 1a57 s TRP 67 N 0.91 3.57 -0.60 9.09 0.23 -1.26 -3.61 118.94 127.26 1a57 s TRP 67 Ca -0.04 -2.65 -0.14 0.00 -2.03 0.00 0.00 56.10 51.23 1a57 s TRP 67 Cb -0.05 -3.13 0.15 0.00 0.03 0.00 0.00 33.47 30.47 1a57 s TRP 67 CO -0.09 -0.93 0.54 0.95 0.96 0.00 0.00 176.95 178.39 1a57 s THR 68 N 0.78 5.15 -0.28 2.01 -4.23 -0.99 -4.57 115.64 113.50 1a57 s THR 68 Ca 0.11 -1.81 -0.30 0.00 -1.18 0.00 0.00 61.69 58.51 1a57 s THR 68 Cb -0.22 -4.28 -0.07 0.00 1.34 0.00 0.00 72.50 69.27 1a57 s THR 68 CO -0.05 -0.90 2.23 0.80 -0.54 0.00 0.00 174.62 176.16 1a57 n MET 69 N 4.85 1.60 -2.85 3.99 1.56 -1.26 -3.09 117.12 121.92 1a57 n MET 69 Ca -0.06 0.42 -0.41 0.00 -0.27 0.00 0.00 57.70 57.38 1a57 n MET 69 Cb 0.42 -2.97 0.01 0.00 2.15 0.00 0.00 33.22 32.83 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 8.59 4.79 0.00 2.12 2.13 -0.99 -4.93 120.64 132.35 1a57 n GLU 70 Ca 0.34 -4.63 0.00 0.00 0.66 0.00 0.00 57.16 53.54 1a57 n GLU 70 Cb 0.37 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.61 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 0.61 0.89 2.66 8.31 0.00 -1.26 -1.81 105.19 114.58 1a57 n GLY 71 Ca 0.36 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 46.48 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 10.09 7.21 -3.57 1.61 4.13 -1.26 -4.89 115.26 128.58 1a57 n ASN 72 Ca 0.00 -3.36 -0.00 0.00 1.68 0.00 0.00 54.58 52.89 1a57 n ASN 72 Cb 0.00 -1.30 0.02 0.00 -1.54 0.00 0.00 39.78 36.96 1a57 n ASN 72 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1a57 s LYS 73 N -2.27 0.88 -0.49 3.52 2.20 -0.75 -4.57 119.74 118.26 1a57 s LYS 73 Ca 0.44 -0.57 0.06 0.00 -0.36 0.00 0.00 55.97 55.55 1a57 s LYS 73 Cb 0.16 0.24 0.22 0.00 -1.51 0.00 0.00 37.83 36.94 1a57 s LYS 73 CO -0.07 -0.41 0.77 1.28 -0.36 0.00 0.00 175.35 176.57 1a57 n LEU 74 N -0.79 -2.80 -4.76 5.43 4.77 0.46 -2.35 117.00 116.95 1a57 n LEU 74 Ca 0.00 -3.30 -0.38 0.00 -0.03 0.00 0.00 56.01 52.29 1a57 n LEU 74 Cb 0.59 0.78 -0.06 0.00 -2.33 0.00 0.00 43.42 42.40 1a57 n LEU 74 CO 0.18 1.97 0.22 -0.69 -1.33 0.00 0.00 177.39 177.75 1a57 s VAL 75 N 0.61 5.03 -1.55 4.08 1.01 -1.18 -2.94 120.40 125.45 1a57 s VAL 75 Ca 0.31 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1a57 s VAL 75 Cb 0.12 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1a57 s VAL 75 CO -0.16 0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1a57 n GLY 76 N 2.63 -0.99 0.00 4.51 0.00 -1.26 -2.36 105.19 107.72 1a57 n GLY 76 Ca -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1a57 n GLY 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a57 n LYS 77 N 0.00 0.00 -4.20 1.61 4.81 -1.24 -4.35 118.16 114.78 1a57 n LYS 77 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1a57 n LYS 77 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1a57 n LYS 77 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1a57 s PHE 78 N 0.00 2.45 -0.26 5.64 0.40 -1.24 -3.89 117.98 121.07 1a57 s PHE 78 Ca 0.00 -0.65 -0.26 0.00 -0.60 0.00 0.00 56.93 55.42 1a57 s PHE 78 Cb 0.00 -1.91 0.14 0.00 0.51 0.00 0.00 43.02 41.76 1a57 s PHE 78 CO 0.00 0.15 1.11 0.21 0.70 0.00 0.00 175.22 177.39 1a57 s LYS 79 N -3.92 0.42 -0.51 0.44 2.36 -1.25 -0.82 119.74 116.46 1a57 s LYS 79 Ca 0.37 0.40 -0.21 0.00 -2.55 0.00 0.00 55.97 53.99 1a57 s LYS 79 Cb 0.04 0.21 0.05 0.00 -1.05 0.00 0.00 37.83 37.07 1a57 s LYS 79 CO 0.20 -0.07 0.72 0.50 1.55 0.00 0.00 175.35 178.25 1a57 s ARG 80 N -0.08 3.20 0.44 4.03 3.52 0.55 -3.76 118.95 126.85 1a57 s ARG 80 Ca 0.03 -0.65 0.30 0.00 -0.13 0.00 0.00 55.73 55.28 1a57 s ARG 80 Cb -0.04 -4.07 1.53 0.00 -1.56 0.00 0.00 34.95 30.81 1a57 s ARG 80 CO -0.07 -1.27 1.91 -0.39 -0.81 0.00 0.00 175.30 174.67 1a57 h VAL 81 N 5.91 0.00 -0.19 7.11 -1.51 -1.80 0.24 116.25 126.01 1a57 h VAL 81 Ca -0.27 -0.09 -0.16 0.00 -1.23 0.00 0.00 66.70 64.95 1a57 h VAL 81 Cb 1.09 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 1a57 h VAL 81 CO 0.99 0.00 -0.53 -0.78 -1.23 0.00 0.00 177.57 176.02 1a57 h ASP 82 N 0.00 0.62 0.00 4.19 3.58 -1.88 -3.32 116.42 119.61 1a57 h ASP 82 Ca 0.00 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1a57 h ASP 82 Cb 0.11 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1a57 h ASP 82 CO 0.00 1.04 0.00 0.59 -2.88 0.00 0.00 179.24 177.99 1a57 n ASN 83 N -3.97 1.19 -2.22 2.28 4.13 -0.61 -4.94 115.26 111.13 1a57 n ASN 83 Ca -0.03 -1.34 -0.12 0.00 1.68 0.00 0.00 54.58 54.77 1a57 n ASN 83 Cb 0.60 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.88 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 -0.17 0.10 3.63 7.41 0.00 0.49 -4.99 105.19 111.66 1a57 n GLY 84 Ca 0.00 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1a57 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a57 s LYS 85 N -5.39 3.73 -0.07 1.61 2.20 0.55 -4.89 119.74 117.47 1a57 s LYS 85 Ca 0.21 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1a57 s LYS 85 Cb -0.09 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 1a57 s LYS 85 CO 0.40 0.37 -0.06 -1.21 -0.36 0.00 0.00 175.35 174.48 1a57 s GLU 86 N 0.08 2.80 -0.33 4.03 2.02 -1.26 0.21 118.70 126.24 1a57 s GLU 86 Ca 0.04 -0.54 0.14 0.00 0.02 0.00 0.00 54.97 54.63 1a57 s GLU 86 Cb -0.12 -2.62 0.46 0.00 0.10 0.00 0.00 34.13 31.95 1a57 s GLU 86 CO 0.01 0.65 1.08 -0.11 0.02 0.00 0.00 175.26 176.91 1a57 n LEU 87 N 2.27 3.04 -4.67 1.80 7.94 -0.00 -3.11 117.00 124.27 1a57 n LEU 87 Ca -0.18 -4.14 -0.29 0.00 -1.11 0.00 0.00 56.01 50.29 1a57 n LEU 87 Cb 0.53 0.05 0.17 0.00 0.53 0.00 0.00 43.42 44.71 1a57 n LEU 87 CO 0.27 1.72 0.64 -0.63 -1.11 0.00 0.00 177.39 178.28 1a57 s ILE 88 N -4.21 2.24 -0.21 1.96 1.01 -1.18 -3.70 121.20 117.09 1a57 s ILE 88 Ca 0.37 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 1a57 s ILE 88 Cb 0.40 -2.52 0.09 0.00 0.01 0.00 0.00 42.46 40.44 1a57 s ILE 88 CO -0.04 -0.10 0.18 0.00 0.00 0.00 0.00 174.94 174.98 1a57 s ALA 89 N -2.90 0.02 -0.36 9.38 0.00 -1.26 -2.38 121.76 124.26 1a57 s ALA 89 Ca 0.65 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.42 1a57 s ALA 89 Cb -0.19 -1.30 0.06 0.00 0.00 0.00 0.00 23.12 21.70 1a57 s ALA 89 CO 0.58 -1.31 0.13 0.08 0.00 0.00 0.00 175.76 175.25 1a57 s VAL 90 N 2.25 3.59 0.17 0.00 1.01 -0.07 -3.98 120.40 123.38 1a57 s VAL 90 Ca 0.06 -1.43 -0.18 0.00 0.00 0.00 0.00 61.98 60.43 1a57 s VAL 90 Cb -0.16 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1a57 s VAL 90 CO -0.17 -0.33 0.51 -0.60 0.00 0.00 0.00 175.10 174.51 1a57 s ARG 91 N 1.32 1.28 -0.13 2.72 6.06 -1.15 -3.71 118.95 125.34 1a57 s ARG 91 Ca 0.00 -0.74 -0.10 0.00 -2.50 0.00 0.00 55.73 52.39 1a57 s ARG 91 Cb -0.21 0.52 0.04 0.00 0.06 0.00 0.00 34.95 35.36 1a57 s ARG 91 CO 0.00 -0.54 0.33 -1.83 -2.50 0.00 0.00 175.30 170.77 1a57 s GLU 92 N -3.83 0.36 -0.12 5.12 -1.05 -1.26 0.17 118.70 118.09 1a57 s GLU 92 Ca 0.06 0.52 -0.39 0.00 -0.15 0.00 0.00 54.97 55.01 1a57 s GLU 92 Cb -0.00 0.11 -0.16 0.00 -0.44 0.00 0.00 34.13 33.63 1a57 s GLU 92 CO -0.07 -0.08 1.55 -0.89 0.95 0.00 0.00 175.26 176.71 1a57 n ILE 93 N 3.32 0.16 -3.87 1.83 2.08 -1.26 -4.81 119.36 116.81 1a57 n ILE 93 Ca -0.16 -0.03 -0.30 0.00 0.56 0.00 0.00 62.75 62.81 1a57 n ILE 93 Cb 0.57 -0.99 -0.15 0.00 -0.75 0.00 0.00 39.64 38.31 1a57 n ILE 93 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1a57 s SER 94 N 2.13 4.29 -0.10 4.38 1.04 0.22 -4.71 113.70 120.95 1a57 s SER 94 Ca 0.93 -1.78 -0.00 0.00 0.48 0.00 0.00 55.95 55.58 1a57 s SER 94 Cb -1.04 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1a57 s SER 94 CO 0.58 -0.38 0.02 0.61 0.98 0.00 0.00 173.24 175.05 1a57 n GLY 95 N 4.59 0.48 3.56 7.32 0.00 -1.26 -3.37 105.19 116.51 1a57 n GLY 95 Ca -0.01 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 1.60 -4.46 -3.48 1.61 2.85 -1.26 -4.99 115.26 107.13 1a57 n ASN 96 Ca -0.01 -0.60 -0.13 0.00 -0.11 0.00 0.00 54.58 53.73 1a57 n ASN 96 Cb 0.51 -4.96 -0.03 0.00 1.24 0.00 0.00 39.78 36.54 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1a57 s GLU 97 N -5.97 1.18 -0.03 1.20 -1.05 -1.22 -4.56 118.70 108.26 1a57 s GLU 97 Ca 0.35 -0.35 0.04 0.00 -0.15 0.00 0.00 54.97 54.86 1a57 s GLU 97 Cb -0.16 0.54 -0.03 0.00 -0.44 0.00 0.00 34.13 34.05 1a57 s GLU 97 CO 0.74 -0.48 -0.13 -1.17 0.95 0.00 0.00 175.26 175.17 1a57 s LEU 98 N -2.39 2.82 -0.20 1.83 0.20 -1.26 0.73 118.68 120.41 1a57 s LEU 98 Ca -0.02 -0.21 -0.06 0.00 0.69 0.00 0.00 54.13 54.54 1a57 s LEU 98 Cb -0.00 -1.60 -0.10 0.00 -0.43 0.00 0.00 46.19 44.06 1a57 s LEU 98 CO -0.08 0.33 -0.23 -0.38 -0.29 0.00 0.00 176.35 175.70 1a57 n ILE 99 N 2.08 1.10 -2.41 6.68 5.41 -1.26 -3.14 119.36 127.81 1a57 n ILE 99 Ca -0.17 -0.33 -0.05 0.00 1.00 0.00 0.00 62.75 63.20 1a57 n ILE 99 Cb 0.52 -1.55 -0.04 0.00 -0.71 0.00 0.00 39.64 37.86 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 -3.59 -3.96 -3.26 0.38 10.64 -1.26 -4.02 117.38 112.30 1a57 n GLN 100 Ca -0.37 3.05 -0.46 0.00 -1.83 0.00 0.00 57.00 57.39 1a57 n GLN 100 Cb 0.81 -4.45 -0.04 0.00 -0.86 0.00 0.00 30.24 25.70 1a57 n GLN 100 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1a57 s THR 101 N -0.56 5.23 0.01 -0.39 2.01 -1.24 -3.93 115.64 116.77 1a57 s THR 101 Ca -0.24 -1.68 -0.30 0.00 0.31 0.00 0.00 61.69 59.77 1a57 s THR 101 Cb 0.02 -4.42 -0.06 0.00 0.01 0.00 0.00 72.50 68.05 1a57 s THR 101 CO 0.65 -0.99 1.36 -0.31 -0.69 0.00 0.00 174.62 174.64 1a57 s TYR 102 N 1.45 2.98 -0.99 4.92 2.02 0.14 -0.89 117.35 126.98 1a57 s TYR 102 Ca 0.10 0.92 -0.02 0.00 -0.37 0.00 0.00 57.07 57.70 1a57 s TYR 102 Cb -0.22 -3.62 0.30 0.00 -0.40 0.00 0.00 41.96 38.02 1a57 s TYR 102 CO -0.00 -2.23 1.42 2.41 -1.57 0.00 0.00 175.55 175.58 1a57 n THR 103 N 4.51 4.97 -2.94 -0.71 -1.04 -1.00 -1.28 114.28 116.79 1a57 n THR 103 Ca 0.12 -5.84 -0.40 0.00 -2.04 0.00 0.00 64.05 55.89 1a57 n THR 103 Cb 0.44 -1.97 -0.05 0.00 -1.82 0.00 0.00 70.33 66.94 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 -3.04 3.69 -0.65 -1.42 6.14 -0.22 -3.92 117.35 117.94 1a57 s TYR 104 Ca 0.34 1.47 -0.04 0.00 0.64 0.00 0.00 57.07 59.49 1a57 s TYR 104 Cb 0.10 -2.88 0.03 0.00 0.42 0.00 0.00 41.96 39.63 1a57 s TYR 104 CO 0.04 0.18 0.13 -1.91 0.64 0.00 0.00 175.55 174.63 1a57 n GLU 105 N 3.23 -2.64 -0.45 4.97 2.13 -1.18 0.81 120.64 127.50 1a57 n GLU 105 Ca -0.01 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1a57 n GLU 105 Cb 0.51 -4.81 0.00 0.00 0.27 0.00 0.00 31.44 27.41 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 -0.73 0.76 3.41 8.31 0.00 -1.26 -4.97 105.19 110.70 1a57 n GLY 106 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.32 2.42 -0.38 1.61 1.01 0.24 -5.11 120.40 117.88 1a57 s VAL 107 Ca 0.00 -1.55 -0.09 0.00 0.00 0.00 0.00 61.98 60.34 1a57 s VAL 107 Cb 0.00 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.39 1a57 s VAL 107 CO 0.00 0.19 0.20 -0.70 0.00 0.00 0.00 175.10 174.78 1a57 s GLU 108 N -1.81 2.65 -0.01 2.72 2.12 -1.26 -1.05 118.70 122.05 1a57 s GLU 108 Ca 0.14 -1.28 0.02 0.00 0.36 0.00 0.00 54.97 54.21 1a57 s GLU 108 Cb -0.10 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.63 1a57 s GLU 108 CO 0.06 -0.80 -0.05 0.00 -0.54 0.00 0.00 175.26 173.93 1a57 s ALA 109 N 1.45 0.50 0.36 6.30 0.00 -0.40 -5.04 121.76 124.92 1a57 s ALA 109 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1a57 s ALA 109 Cb -0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1a57 s ALA 109 CO 0.03 0.08 0.15 -1.59 0.00 0.00 0.00 175.76 174.43 1a57 s LYS 110 N 0.15 1.77 -0.04 0.00 -2.85 -1.26 0.25 119.74 117.75 1a57 s LYS 110 Ca -0.01 -2.04 -0.01 0.00 -1.00 0.00 0.00 55.97 52.91 1a57 s LYS 110 Cb -0.05 -0.37 0.03 0.00 -2.06 0.00 0.00 37.83 35.38 1a57 s LYS 110 CO -0.00 -0.45 0.07 1.03 0.10 0.00 0.00 175.35 176.09 1a57 s ARG 111 N -3.75 0.01 0.01 1.78 0.52 -1.25 -5.00 118.95 111.27 1a57 s ARG 111 Ca 0.31 0.25 -0.22 0.00 -0.52 0.00 0.00 55.73 55.54 1a57 s ARG 111 Cb 0.04 -0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.24 1a57 s ARG 111 CO 0.17 -0.16 0.66 -1.50 0.02 0.00 0.00 175.30 174.49 1a57 s ILE 112 N 1.08 4.86 0.00 1.52 -1.16 -1.26 -4.45 121.20 121.78 1a57 s ILE 112 Ca -0.09 1.39 0.00 0.00 -0.51 0.00 0.00 60.65 61.45 1a57 s ILE 112 Cb -0.12 -4.00 0.00 0.00 0.61 0.00 0.00 42.46 38.95 1a57 s ILE 112 CO -0.04 0.38 0.00 0.49 -2.81 0.00 0.00 174.94 172.96 1a57 n PHE 113 N 2.87 0.00 -0.57 3.50 3.72 -1.25 -5.05 117.46 120.68 1a57 n PHE 113 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1a57 n PHE 113 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 -2.45 -1.08 0.00 -1.19 -4.52 118.16 108.93 1a57 n LYS 114 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1a57 n LYS 114 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.02 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 1.01 0.00 -1.58 4.81 -1.26 -3.50 118.16 117.63 1a57 n LYS 115 Ca 0.00 -0.64 0.00 0.00 -0.87 0.00 0.00 58.31 56.80 1a57 n LYS 115 Cb 0.00 0.32 0.00 0.00 0.02 0.00 0.00 35.03 35.37 1a57 n LYS 115 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72