#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 3.89 -2.98 0.00 3.01 -1.26 -4.76 117.46 115.36 1a57 n PHE 2 Ca 0.00 -3.89 -0.14 0.00 1.01 0.00 0.00 57.45 54.43 1a57 n PHE 2 Cb 0.00 -0.57 0.01 0.00 -0.01 0.00 0.00 39.48 38.91 1a57 n PHE 2 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1a57 n ASP 3 N -0.06 0.28 -3.31 4.37 8.00 -0.94 -4.07 116.55 120.82 1a57 n ASP 3 Ca 0.32 -3.03 -0.05 0.00 0.71 0.00 0.00 54.79 52.74 1a57 n ASP 3 Cb 0.38 -0.10 0.01 0.00 -0.02 0.00 0.00 41.12 41.40 1a57 n ASP 3 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1a57 s GLY 4 N -2.31 0.13 0.95 0.44 0.00 0.29 -4.84 107.32 101.98 1a57 s GLY 4 Ca 0.34 -0.38 -0.16 0.00 0.00 0.00 0.00 44.72 44.52 1a57 s GLY 4 CO -0.05 1.26 1.31 -0.51 0.00 0.00 0.00 173.10 175.12 1a57 s THR 5 N -2.42 2.00 0.21 0.90 -4.23 -1.26 -1.92 115.64 108.93 1a57 s THR 5 Ca 0.18 -0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.56 1a57 s THR 5 Cb -0.03 -2.99 -0.00 0.00 1.34 0.00 0.00 72.50 70.82 1a57 s THR 5 CO 0.07 0.00 0.42 0.26 -0.54 0.00 0.00 174.62 174.82 1a57 s TRP 6 N -3.87 0.33 0.19 3.99 0.52 0.32 -4.74 118.94 115.69 1a57 s TRP 6 Ca 0.74 -0.69 0.00 0.00 0.02 0.00 0.00 56.10 56.17 1a57 s TRP 6 Cb -0.04 0.12 0.00 0.00 -1.15 0.00 0.00 33.47 32.40 1a57 s TRP 6 CO 0.53 -0.89 0.00 1.63 0.02 0.00 0.00 176.95 178.24 1a57 n LYS 7 N -0.32 -1.64 -1.13 4.98 5.02 0.59 -2.34 118.16 123.31 1a57 n LYS 7 Ca -0.04 1.10 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 1a57 n LYS 7 Cb 0.62 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.65 0.00 -1.74 -0.18 3.14 -1.26 -4.77 118.33 110.86 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 0.59 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 1a57 n VAL 8 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1a57 n ASP 9 N 1.60 0.01 -3.12 6.55 8.00 -1.26 -5.02 116.55 123.31 1a57 n ASP 9 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 1a57 n ASP 9 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1a57 n ASP 9 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1a57 n ARG 10 N 0.00 3.69 -3.86 -1.24 0.63 -1.26 -4.97 116.66 109.65 1a57 n ARG 10 Ca 0.00 -3.67 -0.29 0.00 -0.92 0.00 0.00 57.85 52.97 1a57 n ARG 10 Cb 0.00 -2.35 -0.04 0.00 0.45 0.00 0.00 32.46 30.53 1a57 n ARG 10 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1a57 s ASN 11 N -0.78 6.37 -0.39 6.15 2.47 -1.26 -5.06 114.94 122.44 1a57 s ASN 11 Ca 0.49 0.29 0.05 0.00 0.42 0.00 0.00 52.86 54.12 1a57 s ASN 11 Cb 0.33 -1.97 0.16 0.00 -1.45 0.00 0.00 41.25 38.33 1a57 s ASN 11 CO -0.27 0.08 0.46 -1.61 -3.72 0.00 0.00 177.10 172.04 1a57 s GLU 12 N -2.91 0.73 0.05 0.43 2.02 -1.26 -4.98 118.70 112.77 1a57 s GLU 12 Ca 0.36 -0.78 0.25 0.00 0.02 0.00 0.00 54.97 54.82 1a57 s GLU 12 Cb -0.12 -0.50 0.41 0.00 0.10 0.00 0.00 34.13 34.02 1a57 s GLU 12 CO 0.28 -1.21 1.34 0.09 0.02 0.00 0.00 175.26 175.78 1a57 n ASN 13 N 4.14 0.58 0.00 -0.19 4.13 -1.26 -4.93 115.26 117.73 1a57 n ASN 13 Ca 0.12 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1a57 n ASN 13 Cb 0.49 0.27 0.00 0.00 -1.54 0.00 0.00 39.78 39.00 1a57 n ASN 13 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1a57 n TYR 14 N -1.77 0.00 -3.99 3.10 4.01 -1.26 -5.19 117.16 112.07 1a57 n TYR 14 Ca 0.04 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.79 1a57 n TYR 14 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 1a57 n TYR 14 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1a57 n SER 15 N 0.00 -0.17 -0.23 7.72 3.41 -1.26 -5.03 113.62 118.06 1a57 n SER 15 Ca 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1a57 n SER 15 Cb 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.16 0.90 3.73 5.00 0.00 -1.26 -5.01 105.19 108.39 1a57 n GLY 16 Ca 0.01 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.30 3.75 0.00 4.61 0.00 -1.26 -4.69 121.76 121.87 1a57 s ALA 17 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1a57 s ALA 17 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1a57 s ALA 17 CO 0.00 -0.79 0.00 1.58 0.00 0.00 0.00 175.76 176.55 1a57 n HIS 18 N 3.48 -0.99 -4.45 0.00 -0.00 -1.26 -5.16 115.22 106.84 1a57 n HIS 18 Ca 0.12 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.62 1a57 n HIS 18 Cb 0.39 0.24 -0.11 0.00 -0.00 0.00 0.00 29.99 30.51 1a57 n HIS 18 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1a57 s ASP 19 N -1.95 2.38 -0.14 0.26 1.47 -1.26 -5.15 116.67 112.28 1a57 s ASP 19 Ca 0.00 -1.38 -0.02 0.00 1.18 0.00 0.00 52.55 52.34 1a57 s ASP 19 Cb 0.00 -0.08 0.04 0.00 -0.34 0.00 0.00 42.92 42.54 1a57 s ASP 19 CO 0.00 -0.61 -0.01 0.20 0.68 0.00 0.00 175.17 175.43 1a57 s ASN 20 N -3.49 2.36 0.00 2.11 0.01 -1.26 -5.12 114.94 109.55 1a57 s ASN 20 Ca 0.37 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 1a57 s ASN 20 Cb 0.09 -0.64 0.00 0.00 0.41 0.00 0.00 41.25 41.11 1a57 s ASN 20 CO 0.16 -0.22 0.00 0.18 -1.51 0.00 0.00 177.10 175.71 1a57 n LEU 21 N 5.03 0.00 -3.82 0.60 4.32 -1.26 -4.80 117.00 117.06 1a57 n LEU 21 Ca -0.09 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 55.94 1a57 n LEU 21 Cb 0.49 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.29 1a57 n LEU 21 CO 0.13 0.00 1.19 -1.59 -1.22 0.00 0.00 177.39 175.90 1a57 s LYS 22 N -0.21 0.09 0.07 3.23 -2.85 -1.26 -4.67 119.74 114.15 1a57 s LYS 22 Ca 0.00 -0.05 0.01 0.00 -1.00 0.00 0.00 55.97 54.93 1a57 s LYS 22 Cb 0.00 0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.76 1a57 s LYS 22 CO 0.00 -0.04 -0.06 -0.51 0.10 0.00 0.00 175.35 174.84 1a57 s LEU 23 N -3.52 2.44 0.00 2.77 1.43 -0.99 -3.93 118.68 116.88 1a57 s LEU 23 Ca 0.24 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1a57 s LEU 23 Cb 0.03 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.23 1a57 s LEU 23 CO -0.04 -0.44 0.00 0.41 0.23 0.00 0.00 176.35 176.51 1a57 n THR 24 N 0.37 0.00 -3.38 5.49 -1.04 -1.26 0.12 114.28 114.57 1a57 n THR 24 Ca -0.15 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.46 1a57 n THR 24 Cb 0.59 0.00 -0.09 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 5.16 -0.37 12.58 1.09 -0.81 -4.08 121.20 134.77 1a57 s ILE 25 Ca 0.00 0.46 0.00 0.00 -1.10 0.00 0.00 60.65 60.01 1a57 s ILE 25 Cb 0.00 -3.74 0.27 0.00 -1.06 0.00 0.00 42.46 37.93 1a57 s ILE 25 CO 0.00 0.08 1.17 0.41 -0.10 0.00 0.00 174.94 176.51 1a57 n THR 26 N 5.16 0.00 0.00 2.92 -1.04 -1.26 -0.55 114.28 119.52 1a57 n THR 26 Ca -0.08 -0.87 0.00 0.00 -2.04 0.00 0.00 64.05 61.06 1a57 n THR 26 Cb 0.50 1.18 0.00 0.00 -1.82 0.00 0.00 70.33 70.20 1a57 n THR 26 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1a57 n GLN 27 N 1.40 0.00 0.00 -2.82 -0.06 -1.14 -4.94 117.38 109.82 1a57 n GLN 27 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 1a57 n GLN 27 Cb 0.69 -0.07 0.00 0.00 -4.06 0.00 0.00 30.24 26.80 1a57 n GLN 27 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1a57 n GLU 28 N 0.00 0.00 0.00 3.69 0.28 -1.20 -4.91 120.64 118.50 1a57 n GLU 28 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1a57 n GLU 28 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1a57 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1a57 n GLY 29 N -0.46 1.67 2.70 -1.84 0.00 -1.26 -1.90 105.19 104.10 1a57 n GLY 29 Ca 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 6.71 -0.62 -4.54 1.61 5.03 -1.26 -5.12 115.26 117.08 1a57 n ASN 30 Ca 0.00 -2.46 -0.24 0.00 0.87 0.00 0.00 54.58 52.75 1a57 n ASN 30 Cb 0.00 0.41 -0.09 0.00 -1.02 0.00 0.00 39.78 39.08 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1a57 s LYS 31 N -1.07 1.87 -0.43 3.52 1.02 -0.80 -2.59 119.74 121.26 1a57 s LYS 31 Ca 0.22 -1.75 0.01 0.00 0.02 0.00 0.00 55.97 54.47 1a57 s LYS 31 Cb 0.42 -1.84 0.22 0.00 -0.52 0.00 0.00 37.83 36.11 1a57 s LYS 31 CO -0.06 0.26 0.95 1.97 -0.92 0.00 0.00 175.35 177.56 1a57 n PHE 32 N -0.75 -2.26 -1.93 3.18 -1.74 -1.24 -2.88 117.46 109.84 1a57 n PHE 32 Ca -0.05 -1.10 -0.41 0.00 -0.56 0.00 0.00 57.45 55.33 1a57 n PHE 32 Cb 0.61 1.31 -0.01 0.00 1.52 0.00 0.00 39.48 42.91 1a57 n PHE 32 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1a57 s THR 33 N 0.77 2.36 -0.07 1.97 -1.32 -1.26 -4.84 115.64 113.25 1a57 s THR 33 Ca 0.28 0.34 -0.19 0.00 -1.21 0.00 0.00 61.69 60.91 1a57 s THR 33 Cb 0.11 -3.22 -0.05 0.00 -1.51 0.00 0.00 72.50 67.84 1a57 s THR 33 CO -0.11 0.07 0.51 -0.69 -2.21 0.00 0.00 174.62 172.19 1a57 s VAL 34 N -0.70 5.09 -0.29 5.08 1.01 -1.12 -4.20 120.40 125.26 1a57 s VAL 34 Ca 0.55 1.03 -0.05 0.00 0.00 0.00 0.00 61.98 63.51 1a57 s VAL 34 Cb -0.44 -3.84 -0.15 0.00 0.00 0.00 0.00 36.38 31.95 1a57 s VAL 34 CO 0.54 0.38 2.57 1.17 0.00 0.00 0.00 175.10 179.76 1a57 n LYS 35 N 3.18 1.68 -1.18 2.72 4.81 -1.26 -3.47 118.16 124.64 1a57 n LYS 35 Ca -0.08 -0.94 -0.40 0.00 -0.87 0.00 0.00 58.31 56.02 1a57 n LYS 35 Cb 0.52 -2.03 -0.04 0.00 0.02 0.00 0.00 35.03 33.50 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 3.01 1.84 -2.73 1.64 1.02 -1.26 -3.94 120.64 120.23 1a57 n GLU 36 Ca 0.36 -1.91 -0.42 0.00 -0.02 0.00 0.00 57.16 55.17 1a57 n GLU 36 Cb 0.51 -2.90 -0.03 0.00 -0.02 0.00 0.00 31.44 29.00 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 4.42 6.50 0.82 1.62 1.04 -1.25 -3.27 113.70 123.58 1a57 s SER 37 Ca 0.53 -1.59 -0.06 0.00 0.48 0.00 0.00 55.95 55.31 1a57 s SER 37 Cb 0.14 -2.49 0.16 0.00 0.10 0.00 0.00 66.02 63.93 1a57 s SER 37 CO 0.06 -1.34 1.02 -1.20 0.98 0.00 0.00 173.24 172.75 1a57 n SER 38 N 7.88 0.78 -0.00 7.02 7.64 -1.26 -4.37 113.62 131.30 1a57 n SER 38 Ca 0.25 -1.79 0.14 0.00 1.01 0.00 0.00 58.87 58.47 1a57 n SER 38 Cb 0.50 -0.71 0.63 0.00 -1.01 0.00 0.00 64.21 63.61 1a57 n SER 38 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1a57 n ASN 39 N -3.25 0.03 0.14 6.43 5.15 -1.26 -0.34 115.26 122.16 1a57 n ASN 39 Ca 0.15 0.33 -0.12 0.00 -0.60 0.00 0.00 54.58 54.34 1a57 n ASN 39 Cb 0.53 -0.42 -0.07 0.00 -0.53 0.00 0.00 39.78 39.29 1a57 n ASN 39 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1a57 h PHE 40 N 0.01 -0.36 0.00 1.20 0.04 -1.97 -3.44 116.94 112.41 1a57 h PHE 40 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1a57 h PHE 40 Cb 0.46 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1a57 h PHE 40 CO 0.00 -0.01 0.00 0.54 -0.60 0.00 0.00 178.31 178.24 1a57 n ARG 41 N -5.08 0.00 -2.87 1.51 3.00 -1.21 -5.02 116.66 106.99 1a57 n ARG 41 Ca -0.09 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.85 57.65 1a57 n ARG 41 Cb 0.27 -0.03 0.04 0.00 0.00 0.00 0.00 32.46 32.74 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 0.00 -6.05 -3.75 0.55 4.13 0.54 -4.89 115.26 105.79 1a57 n ASN 42 Ca 0.00 -0.42 -0.26 0.00 1.68 0.00 0.00 54.58 55.58 1a57 n ASN 42 Cb 0.42 -4.37 -0.17 0.00 -1.54 0.00 0.00 39.78 34.11 1a57 n ASN 42 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1a57 s ILE 43 N -3.22 0.47 0.28 2.41 -1.16 -1.20 -4.83 121.20 113.95 1a57 s ILE 43 Ca 0.26 -0.32 -0.04 0.00 -0.51 0.00 0.00 60.65 60.04 1a57 s ILE 43 Cb -0.03 -0.86 0.06 0.00 0.61 0.00 0.00 42.46 42.24 1a57 s ILE 43 CO 0.60 -0.05 0.39 0.47 -2.81 0.00 0.00 174.94 173.54 1a57 n ASP 44 N 5.08 0.09 -3.81 4.50 8.00 -1.24 -4.56 116.55 124.61 1a57 n ASP 44 Ca -0.08 -1.18 -0.25 0.00 0.71 0.00 0.00 54.79 53.99 1a57 n ASP 44 Cb 0.48 -0.29 -0.17 0.00 -0.02 0.00 0.00 41.12 41.12 1a57 n ASP 44 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1a57 s VAL 45 N -1.70 0.63 0.26 2.53 1.01 -1.23 -4.95 120.40 116.96 1a57 s VAL 45 Ca 0.22 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.14 1a57 s VAL 45 Cb -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1a57 s VAL 45 CO 0.16 0.22 0.20 0.54 0.00 0.00 0.00 175.10 176.21 1a57 s VAL 46 N 1.86 4.27 -0.73 2.92 0.11 -1.26 -2.78 120.40 124.79 1a57 s VAL 46 Ca 0.04 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 57.66 1a57 s VAL 46 Cb -0.13 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1a57 s VAL 46 CO -0.07 -0.33 0.00 2.22 -3.33 0.00 0.00 175.10 173.59 1a57 n PHE 47 N -1.19 0.00 -3.40 1.54 1.16 -1.26 -5.04 117.46 109.28 1a57 n PHE 47 Ca -0.07 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.25 1a57 n PHE 47 Cb 0.58 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.35 1a57 n PHE 47 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1a57 s GLU 48 N -1.47 0.69 0.00 3.97 -6.30 -1.26 -3.71 118.70 110.62 1a57 s GLU 48 Ca 0.00 -1.49 0.00 0.00 -2.50 0.00 0.00 54.97 50.98 1a57 s GLU 48 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 34.13 32.93 1a57 s GLU 48 CO 0.00 -1.27 0.00 -0.11 0.02 0.00 0.00 175.26 173.90 1a57 n LEU 49 N 3.66 -3.16 -3.25 2.70 -0.00 -1.07 -3.79 117.00 112.09 1a57 n LEU 49 Ca 0.18 0.41 -0.11 0.00 -0.00 0.00 0.00 56.01 56.49 1a57 n LEU 49 Cb 0.42 -1.32 0.03 0.00 -0.00 0.00 0.00 43.42 42.55 1a57 n LEU 49 CO 0.11 -1.38 0.14 0.61 -0.00 0.00 0.00 177.39 176.87 1a57 n GLY 50 N 1.35 -1.19 0.09 -3.96 0.00 0.79 -4.87 105.19 97.40 1a57 n GLY 50 Ca 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.64 1.19 -0.95 1.61 3.14 -1.25 -4.95 118.33 114.49 1a57 n VAL 51 Ca -0.06 -0.65 0.00 0.00 -2.96 0.00 0.00 64.34 60.68 1a57 n VAL 51 Cb 0.57 -0.77 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 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 -2.79 -5.12 -3.61 6.55 -0.08 -1.26 -5.01 116.55 105.23 1a57 n ASP 52 Ca -0.31 0.58 -0.06 0.00 -1.51 0.00 0.00 54.79 53.49 1a57 n ASP 52 Cb 1.01 -2.05 -0.05 0.00 2.34 0.00 0.00 41.12 42.37 1a57 n ASP 52 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1a57 s PHE 53 N -0.95 -0.21 -0.11 -0.67 -0.71 -0.17 -5.00 117.98 110.16 1a57 s PHE 53 Ca 0.00 0.37 -0.04 0.00 -1.04 0.00 0.00 56.93 56.22 1a57 s PHE 53 Cb 0.00 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.24 1a57 s PHE 53 CO 0.00 -0.19 0.05 0.00 -1.34 0.00 0.00 175.22 173.74 1a57 s ALA 54 N -0.98 3.47 0.00 1.99 0.00 -1.26 -2.62 121.76 122.36 1a57 s ALA 54 Ca 0.04 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1a57 s ALA 54 Cb -0.01 -1.68 0.14 0.00 0.00 0.00 0.00 23.12 21.57 1a57 s ALA 54 CO -0.04 0.54 0.97 0.98 0.00 0.00 0.00 175.76 178.21 1a57 n TYR 55 N 2.31 0.00 -1.61 0.00 9.36 -1.26 -5.05 117.16 120.91 1a57 n TYR 55 Ca -0.19 -0.35 -0.07 0.00 3.32 0.00 0.00 57.90 60.62 1a57 n TYR 55 Cb 0.54 0.17 0.01 0.00 -0.63 0.00 0.00 39.34 39.43 1a57 n TYR 55 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1a57 n SER 56 N 0.16 -0.95 -4.90 2.98 2.88 -1.26 -4.85 113.62 107.68 1a57 n SER 56 Ca -0.09 -0.05 -0.29 0.00 -1.33 0.00 0.00 58.87 57.12 1a57 n SER 56 Cb 0.81 -0.28 0.06 0.00 -0.75 0.00 0.00 64.21 64.06 1a57 n SER 56 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a57 s LEU 57 N -0.71 2.77 -0.60 2.46 1.43 -1.14 -4.15 118.68 118.74 1a57 s LEU 57 Ca 0.06 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1a57 s LEU 57 Cb -0.01 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1a57 s LEU 57 CO 0.16 -1.56 0.00 0.00 0.23 0.00 0.00 176.35 175.18 1a57 n ALA 58 N -3.07 -0.50 -4.09 4.21 0.00 -1.26 -0.46 120.51 115.34 1a57 n ALA 58 Ca 0.07 0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 1a57 n ALA 58 Cb 0.59 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.71 -3.09 0.00 0.00 2.03 -1.26 -4.41 116.55 109.11 1a57 n ASP 59 Ca -0.07 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1a57 n ASP 59 Cb 0.39 -3.11 0.00 0.00 -0.72 0.00 0.00 41.12 37.68 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 -1.58 -0.12 3.47 0.27 0.00 -0.77 -5.16 105.19 101.30 1a57 n GLY 60 Ca -0.01 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1a57 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a57 s THR 61 N -1.83 1.70 -0.18 2.61 -4.23 0.39 -4.89 115.64 109.22 1a57 s THR 61 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1a57 s THR 61 Cb 0.00 -2.18 0.22 0.00 1.34 0.00 0.00 72.50 71.88 1a57 s THR 61 CO 0.00 0.00 1.16 1.21 -0.54 0.00 0.00 174.62 176.45 1a57 n GLU 62 N -5.05 0.74 -1.58 3.99 2.13 -1.26 -2.91 120.64 116.70 1a57 n GLU 62 Ca 0.07 -0.90 -0.41 0.00 0.66 0.00 0.00 57.16 56.58 1a57 n GLU 62 Cb 0.57 0.39 -0.03 0.00 0.27 0.00 0.00 31.44 32.64 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 -0.84 2.92 -4.35 4.31 4.32 -1.21 -4.36 117.00 117.78 1a57 n LEU 63 Ca -0.17 -0.04 -0.42 0.00 -0.02 0.00 0.00 56.01 55.36 1a57 n LEU 63 Cb 0.74 -1.56 -0.10 0.00 -1.62 0.00 0.00 43.42 40.88 1a57 n LEU 63 CO -0.12 -1.00 -0.09 -0.89 -1.22 0.00 0.00 177.39 174.07 1a57 s THR 64 N 9.68 4.68 0.00 -5.08 2.01 -1.11 -4.33 115.64 121.49 1a57 s THR 64 Ca 1.00 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1a57 s THR 64 Cb -0.29 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1a57 s THR 64 CO 0.32 -0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 1a57 n GLY 65 N 5.04 2.57 2.72 4.40 0.00 -1.08 -3.76 105.19 115.08 1a57 n GLY 65 Ca -0.11 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.95 -0.20 -0.38 2.61 -1.32 -1.21 -1.00 115.64 111.19 1a57 s THR 66 Ca 0.00 0.10 -0.14 0.00 -1.21 0.00 0.00 61.69 60.44 1a57 s THR 66 Cb 0.00 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.55 1a57 s THR 66 CO 0.00 -0.06 0.29 0.26 -2.21 0.00 0.00 174.62 172.90 1a57 s TRP 67 N 2.24 3.23 -0.93 9.09 0.23 -1.26 -3.83 118.94 127.71 1a57 s TRP 67 Ca 0.04 -0.38 -0.00 0.00 -2.03 0.00 0.00 56.10 53.73 1a57 s TRP 67 Cb -0.14 -2.57 0.30 0.00 0.03 0.00 0.00 33.47 31.09 1a57 s TRP 67 CO -0.08 -0.49 1.38 0.25 0.96 0.00 0.00 176.95 178.97 1a57 n THR 68 N 5.16 4.74 -1.27 2.01 -2.24 -1.18 -0.15 114.28 121.36 1a57 n THR 68 Ca -0.11 -5.78 -0.59 0.00 -2.27 0.00 0.00 64.05 55.30 1a57 n THR 68 Cb 0.48 -1.86 -0.12 0.00 -2.10 0.00 0.00 70.33 66.73 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 0.68 0.00 -0.02 -0.78 1.56 -1.26 -4.67 117.12 112.64 1a57 n MET 69 Ca 0.33 0.00 -0.00 0.00 -0.27 0.00 0.00 57.70 57.76 1a57 n MET 69 Cb 0.33 -1.50 -0.00 0.00 2.15 0.00 0.00 33.22 34.20 1a57 n MET 69 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1a57 h GLU 70 N 9.24 0.00 0.00 2.12 4.22 -1.94 -3.48 114.58 124.74 1a57 h GLU 70 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1a57 h GLU 70 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1a57 h GLU 70 CO 1.11 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 178.35 1a57 n GLY 71 N 1.92 -0.29 0.35 1.92 0.00 -1.26 -4.90 105.19 102.92 1a57 n GLY 71 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.19 0.00 -5.01 1.61 3.02 -1.26 -4.90 115.26 105.53 1a57 n ASN 72 Ca 0.00 -1.68 -0.19 0.00 -0.03 0.00 0.00 54.58 52.68 1a57 n ASN 72 Cb 0.00 -0.14 0.05 0.00 -0.61 0.00 0.00 39.78 39.09 1a57 n ASN 72 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1a57 s LYS 73 N 0.00 2.37 -0.32 3.52 3.01 -1.26 -0.87 119.74 126.19 1a57 s LYS 73 Ca 0.00 -1.52 0.17 0.00 -1.01 0.00 0.00 55.97 53.61 1a57 s LYS 73 Cb 0.00 -2.65 0.45 0.00 -1.01 0.00 0.00 37.83 34.62 1a57 s LYS 73 CO 0.00 -0.78 1.20 1.28 0.51 0.00 0.00 175.35 177.56 1a57 n LEU 74 N -2.20 0.20 -4.75 3.17 4.77 0.48 -3.95 117.00 114.72 1a57 n LEU 74 Ca 0.14 -3.36 -0.41 0.00 -0.03 0.00 0.00 56.01 52.35 1a57 n LEU 74 Cb 0.61 0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.96 1a57 n LEU 74 CO 0.40 1.51 0.88 -0.69 -1.33 0.00 0.00 177.39 178.16 1a57 s VAL 75 N -1.98 3.31 -4.82 4.08 1.01 -1.26 -4.23 120.40 116.51 1a57 s VAL 75 Ca 0.22 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1a57 s VAL 75 Cb 0.41 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1a57 s VAL 75 CO -0.04 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1a57 n GLY 76 N 1.57 -0.30 0.00 4.51 0.00 -1.26 -3.10 105.19 106.60 1a57 n GLY 76 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.49 1.61 4.81 -1.25 -4.79 118.16 114.05 1a57 n LYS 77 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 1a57 n LYS 77 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 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 -0.78 2.13 -0.27 5.64 0.40 -1.26 -3.34 117.98 120.50 1a57 s PHE 78 Ca 0.00 -0.77 -0.25 0.00 -0.60 0.00 0.00 56.93 55.30 1a57 s PHE 78 Cb 0.00 -1.36 0.10 0.00 0.51 0.00 0.00 43.02 42.26 1a57 s PHE 78 CO 0.00 0.25 0.87 0.21 0.70 0.00 0.00 175.22 177.25 1a57 s LYS 79 N -3.77 0.68 -0.40 0.44 2.36 -1.25 -0.69 119.74 117.11 1a57 s LYS 79 Ca 0.34 0.77 -0.19 0.00 -2.55 0.00 0.00 55.97 54.34 1a57 s LYS 79 Cb 0.07 0.33 0.01 0.00 -1.05 0.00 0.00 37.83 37.20 1a57 s LYS 79 CO 0.15 -0.09 0.55 0.50 1.55 0.00 0.00 175.35 178.01 1a57 s ARG 80 N 0.23 3.39 0.37 4.03 3.52 -1.26 -2.76 118.95 126.47 1a57 s ARG 80 Ca 0.01 -0.35 0.27 0.00 -0.13 0.00 0.00 55.73 55.53 1a57 s ARG 80 Cb -0.05 -3.89 1.26 0.00 -1.56 0.00 0.00 34.95 30.71 1a57 s ARG 80 CO -0.02 -0.83 1.81 0.28 -0.81 0.00 0.00 175.30 175.74 1a57 h VAL 81 N 5.74 0.00 -0.22 7.11 2.07 -1.95 0.83 116.25 129.83 1a57 h VAL 81 Ca -0.27 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1a57 h VAL 81 Cb 1.11 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1a57 h VAL 81 CO 0.83 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.89 1a57 n ASP 82 N -2.47 2.80 0.00 0.57 8.00 -1.26 -4.87 116.55 119.31 1a57 n ASP 82 Ca 0.00 -2.35 0.00 0.00 0.71 0.00 0.00 54.79 53.15 1a57 n ASP 82 Cb 0.17 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1a57 n ASP 82 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1a57 n ASN 83 N 0.24 -2.48 0.03 -2.24 5.03 0.21 -4.87 115.26 111.18 1a57 n ASN 83 Ca 0.11 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.69 1a57 n ASN 83 Cb 0.61 -0.41 0.46 0.00 -1.02 0.00 0.00 39.78 39.41 1a57 n ASN 83 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a57 n GLY 84 N -2.83 -1.50 3.38 7.41 0.00 -0.73 -4.96 105.19 105.97 1a57 n GLY 84 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.75 -1.55 -1.29 1.61 4.81 -1.10 -4.67 118.16 114.21 1a57 n LYS 85 Ca 0.06 1.32 0.00 0.00 -0.87 0.00 0.00 58.31 58.82 1a57 n LYS 85 Cb 0.37 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.42 1a57 n LYS 85 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1a57 n GLU 86 N 0.22 0.00 -2.79 1.64 1.02 -1.26 -3.85 120.64 115.62 1a57 n GLU 86 Ca -0.05 0.43 -0.42 0.00 -0.02 0.00 0.00 57.16 57.10 1a57 n GLU 86 Cb 0.61 -1.29 0.02 0.00 -0.02 0.00 0.00 31.44 30.76 1a57 n GLU 86 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1a57 n LEU 87 N -0.80 6.96 0.00 -4.62 4.32 0.13 -3.25 117.00 119.74 1a57 n LEU 87 Ca 0.00 -5.30 -0.15 0.00 -0.02 0.00 0.00 56.01 50.54 1a57 n LEU 87 Cb 0.37 -1.22 0.11 0.00 -1.62 0.00 0.00 43.42 41.05 1a57 n LEU 87 CO 0.00 1.89 0.41 -0.38 -1.22 0.00 0.00 177.39 178.09 1a57 n ILE 88 N 0.59 0.00 -2.90 -0.08 5.41 -1.19 -4.17 119.36 117.03 1a57 n ILE 88 Ca 0.38 -0.44 -0.12 0.00 1.00 0.00 0.00 62.75 63.57 1a57 n ILE 88 Cb 0.29 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 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 -3.54 -0.40 -1.69 -1.39 0.00 -1.26 -3.57 120.51 108.66 1a57 n ALA 89 Ca -0.11 -1.85 -0.43 0.00 0.00 0.00 0.00 53.44 51.06 1a57 n ALA 89 Cb 0.29 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 0.33 3.11 0.13 0.00 1.01 -1.26 -4.57 120.40 119.15 1a57 s VAL 90 Ca 0.32 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.17 1a57 s VAL 90 Cb 0.14 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.44 1a57 s VAL 90 CO -0.17 -0.10 0.74 -0.60 0.00 0.00 0.00 175.10 174.98 1a57 s ARG 91 N 6.21 1.22 -0.22 2.72 6.06 -1.26 -3.96 118.95 129.72 1a57 s ARG 91 Ca 0.96 -0.52 -0.08 0.00 -2.50 0.00 0.00 55.73 53.59 1a57 s ARG 91 Cb -0.31 0.51 0.09 0.00 0.06 0.00 0.00 34.95 35.31 1a57 s ARG 91 CO 0.35 -0.54 0.47 -1.83 -2.50 0.00 0.00 175.30 171.24 1a57 s GLU 92 N -3.54 0.38 -0.45 5.12 -1.05 -1.26 0.18 118.70 118.08 1a57 s GLU 92 Ca 0.05 1.10 -0.36 0.00 -0.15 0.00 0.00 54.97 55.61 1a57 s GLU 92 Cb -0.02 0.40 -0.14 0.00 -0.44 0.00 0.00 34.13 33.93 1a57 s GLU 92 CO -0.07 -0.23 2.25 1.51 0.95 0.00 0.00 175.26 179.67 1a57 n ILE 93 N 5.28 0.11 -1.38 1.83 3.06 -0.05 -4.81 119.36 123.41 1a57 n ILE 93 Ca -0.11 -0.22 -0.42 0.00 -2.50 0.00 0.00 62.75 59.50 1a57 n ILE 93 Cb 0.50 -1.39 -0.03 0.00 0.54 0.00 0.00 39.64 39.26 1a57 n ILE 93 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1a57 n SER 94 N 9.91 3.34 0.00 9.51 2.88 -1.19 -4.70 113.62 133.37 1a57 n SER 94 Ca 0.46 -2.73 0.00 0.00 -1.33 0.00 0.00 58.87 55.27 1a57 n SER 94 Cb 0.18 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.29 1a57 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a57 n GLY 95 N 4.29 0.95 2.68 0.46 0.00 -1.26 -4.48 105.19 107.83 1a57 n GLY 95 Ca 0.51 -1.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 1a57 n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a57 n ASN 96 N 0.00 1.71 0.00 1.61 2.85 -1.26 -5.01 115.26 115.16 1a57 n ASN 96 Ca 0.00 -2.61 0.00 0.00 -0.11 0.00 0.00 54.58 51.86 1a57 n ASN 96 Cb 0.00 -0.51 0.00 0.00 1.24 0.00 0.00 39.78 40.51 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 -0.23 0.00 -2.89 1.20 -0.00 -1.26 -4.32 120.64 113.14 1a57 n GLU 97 Ca 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 57.16 57.02 1a57 n GLU 97 Cb 0.81 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 32.26 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 3.65 0.00 -1.84 2.96 -1.26 -3.17 118.68 119.02 1a57 s LEU 98 Ca 0.00 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 1a57 s LEU 98 Cb 0.00 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.27 1a57 s LEU 98 CO 0.00 -0.65 0.00 -0.38 -1.32 0.00 0.00 176.35 174.00 1a57 n ILE 99 N -2.14 0.00 -0.46 6.68 -0.00 -1.26 -3.04 119.36 119.13 1a57 n ILE 99 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1a57 n ILE 99 Cb 0.57 -0.53 0.00 0.00 -0.00 0.00 0.00 39.64 39.68 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 -0.58 0.00 -0.13 0.38 1.13 -1.26 -4.41 117.38 112.51 1a57 n GLN 100 Ca 0.00 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 1a57 n GLN 100 Cb 0.00 -0.31 0.00 0.00 0.11 0.00 0.00 30.24 30.04 1a57 n GLN 100 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1a57 n THR 101 N 0.24 0.00 -3.23 5.09 -2.24 -1.25 -4.24 114.28 108.64 1a57 n THR 101 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1a57 n THR 101 Cb 0.00 -1.80 -0.03 0.00 -2.10 0.00 0.00 70.33 66.40 1a57 n THR 101 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1a57 s TYR 102 N -0.24 -1.27 -1.15 4.78 2.02 -0.88 -4.24 117.35 116.37 1a57 s TYR 102 Ca 0.00 -0.15 -0.23 0.00 -0.37 0.00 0.00 57.07 56.33 1a57 s TYR 102 Cb 0.00 0.09 -0.10 0.00 -0.40 0.00 0.00 41.96 41.55 1a57 s TYR 102 CO 0.00 -1.12 1.93 2.41 -1.57 0.00 0.00 175.55 177.20 1a57 n THR 103 N 4.25 1.88 -3.48 -0.71 -1.04 -1.23 -4.19 114.28 109.76 1a57 n THR 103 Ca 0.12 -1.93 -0.42 0.00 -2.04 0.00 0.00 64.05 59.77 1a57 n THR 103 Cb 0.53 -2.18 -0.08 0.00 -1.82 0.00 0.00 70.33 66.79 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 10.62 3.36 -0.54 -1.42 5.04 -1.19 -4.09 117.35 129.13 1a57 s TYR 104 Ca 0.68 -1.62 0.00 0.00 -2.44 0.00 0.00 57.07 53.69 1a57 s TYR 104 Cb 0.01 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.83 1a57 s TYR 104 CO 0.14 -0.97 0.00 -1.91 -1.34 0.00 0.00 175.55 171.47 1a57 n GLU 105 N 5.02 -1.40 0.00 4.97 2.13 -1.25 -2.04 120.64 128.07 1a57 n GLU 105 Ca -0.10 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1a57 n GLU 105 Cb 0.41 -4.21 0.00 0.00 0.27 0.00 0.00 31.44 27.91 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 0.00 1.37 3.80 8.31 0.00 -1.26 -5.14 105.19 112.28 1a57 n GLY 106 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.74 4.95 -0.76 1.61 1.01 -0.86 -5.05 120.40 120.56 1a57 s VAL 107 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1a57 s VAL 107 Cb 0.00 -3.20 0.19 0.00 0.00 0.00 0.00 36.38 33.38 1a57 s VAL 107 CO 0.00 0.49 0.62 -1.61 0.00 0.00 0.00 175.10 174.61 1a57 s GLU 108 N -1.33 3.03 -0.05 2.72 2.02 -1.26 -3.14 118.70 120.69 1a57 s GLU 108 Ca 0.19 -2.76 -0.01 0.00 0.02 0.00 0.00 54.97 52.41 1a57 s GLU 108 Cb -0.12 -3.96 -0.03 0.00 0.10 0.00 0.00 34.13 30.12 1a57 s GLU 108 CO 0.09 -1.22 0.02 0.00 0.02 0.00 0.00 175.26 174.16 1a57 s ALA 109 N -0.43 3.34 0.25 5.21 0.00 -1.26 -4.88 121.76 123.99 1a57 s ALA 109 Ca 0.21 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 1a57 s ALA 109 Cb -0.14 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1a57 s ALA 109 CO -0.07 0.62 0.40 -1.59 0.00 0.00 0.00 175.76 175.12 1a57 s LYS 110 N -1.24 1.51 -0.03 0.00 0.00 -1.26 -2.08 119.74 116.63 1a57 s LYS 110 Ca 0.17 -1.40 0.06 0.00 0.00 0.00 0.00 55.97 54.79 1a57 s LYS 110 Cb -0.11 0.42 -0.01 0.00 0.00 0.00 0.00 37.83 38.13 1a57 s LYS 110 CO 0.07 -0.60 -0.20 1.03 0.00 0.00 0.00 175.35 175.64 1a57 s ARG 111 N -3.93 1.88 -0.48 1.78 1.81 -1.26 -5.07 118.95 113.67 1a57 s ARG 111 Ca 0.27 -0.73 -0.29 0.00 -1.72 0.00 0.00 55.73 53.27 1a57 s ARG 111 Cb 0.01 -1.70 0.03 0.00 -0.45 0.00 0.00 34.95 32.84 1a57 s ARG 111 CO 0.11 0.37 1.14 0.42 -0.68 0.00 0.00 175.30 176.65 1a57 s ILE 112 N -0.25 4.20 0.50 1.52 1.09 -1.26 -4.62 121.20 122.39 1a57 s ILE 112 Ca 0.02 1.21 0.07 0.00 -1.10 0.00 0.00 60.65 60.85 1a57 s ILE 112 Cb -0.10 -4.61 0.02 0.00 -1.06 0.00 0.00 42.46 36.71 1a57 s ILE 112 CO 0.01 -1.02 0.41 -0.36 -0.10 0.00 0.00 174.94 173.88 1a57 s PHE 113 N 4.46 2.00 0.00 3.97 0.40 -1.17 -5.07 117.98 122.56 1a57 s PHE 113 Ca 0.48 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1a57 s PHE 113 Cb -0.07 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.44 1a57 s PHE 113 CO 0.32 -0.38 0.00 0.36 0.70 0.00 0.00 175.22 176.22 1a57 n LYS 114 N -1.70 0.00 0.00 0.44 0.00 -1.24 -4.31 118.16 111.36 1a57 n LYS 114 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1a57 n LYS 114 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.66 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 -0.88 118.16 119.24 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