#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 0.00 -1.52 0.00 3.72 -1.26 -4.94 117.46 113.47 1a57 n PHE 2 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 1a57 n PHE 2 Cb 0.00 -0.79 -0.12 0.00 -0.94 0.00 0.00 39.48 37.62 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 -2.66 0.68 0.00 4.37 5.68 -1.23 -4.53 116.55 118.86 1a57 n ASP 3 Ca -0.28 -0.18 0.00 0.00 -0.50 0.00 0.00 54.79 53.84 1a57 n ASP 3 Cb 1.00 -1.09 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 1a57 n ASP 3 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a57 n GLY 4 N 6.27 0.70 3.92 6.12 0.00 -0.66 -4.98 105.19 116.57 1a57 n GLY 4 Ca 0.58 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1a57 n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a57 s THR 5 N -2.00 5.22 0.35 2.61 -4.23 -1.26 -3.85 115.64 112.48 1a57 s THR 5 Ca 0.00 -0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 1a57 s THR 5 Cb 0.00 -3.71 -0.06 0.00 1.34 0.00 0.00 72.50 70.07 1a57 s THR 5 CO 0.00 -0.11 0.05 0.26 -0.54 0.00 0.00 174.62 174.28 1a57 s TRP 6 N -1.80 2.04 0.05 3.99 0.52 -0.32 -3.65 118.94 119.76 1a57 s TRP 6 Ca 0.38 -0.93 0.00 0.00 0.02 0.00 0.00 56.10 55.57 1a57 s TRP 6 Cb -0.11 -1.36 0.00 0.00 -1.15 0.00 0.00 33.47 30.85 1a57 s TRP 6 CO 0.28 0.06 0.00 1.63 0.02 0.00 0.00 176.95 178.94 1a57 n LYS 7 N -0.75 -0.46 -0.58 4.98 5.02 -0.88 -3.55 118.16 121.94 1a57 n LYS 7 Ca -0.03 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1a57 n LYS 7 Cb 0.67 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 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 -1.07 0.00 -4.21 -0.18 0.31 -1.26 -4.56 118.33 107.35 1a57 n VAL 8 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1a57 n VAL 8 Cb 0.10 -0.35 -0.16 0.00 -0.91 0.00 0.00 33.84 32.53 1a57 n VAL 8 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1a57 s ASP 9 N 0.00 3.37 0.61 4.52 1.01 -1.26 -5.05 116.67 119.88 1a57 s ASP 9 Ca 0.00 -0.58 0.00 0.00 0.71 0.00 0.00 52.55 52.68 1a57 s ASP 9 Cb 0.00 -1.52 0.00 0.00 1.01 0.00 0.00 42.92 42.41 1a57 s ASP 9 CO 0.00 0.02 0.00 0.54 0.21 0.00 0.00 175.17 175.94 1a57 n ARG 10 N 4.50 -1.03 0.12 8.23 5.12 -1.26 -5.00 116.66 127.34 1a57 n ARG 10 Ca -0.20 0.68 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 1a57 n ARG 10 Cb 0.51 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 1a57 n ARG 10 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1a57 n ASN 11 N -3.64 -1.31 -1.29 0.55 6.94 -1.26 -5.01 115.26 110.24 1a57 n ASN 11 Ca 0.00 0.43 -0.16 0.00 -0.02 0.00 0.00 54.58 54.83 1a57 n ASN 11 Cb 0.23 1.38 -0.07 0.00 -2.36 0.00 0.00 39.78 38.97 1a57 n ASN 11 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1a57 n GLU 12 N -3.10 -1.15 -3.75 -3.83 2.13 -1.26 -3.26 120.64 106.42 1a57 n GLU 12 Ca 0.00 1.07 -0.23 0.00 0.66 0.00 0.00 57.16 58.66 1a57 n GLU 12 Cb 0.00 -5.27 -0.02 0.00 0.27 0.00 0.00 31.44 26.41 1a57 n GLU 12 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1a57 n ASN 13 N -0.67 -0.92 -0.00 4.31 0.23 -1.26 -4.81 115.26 112.13 1a57 n ASN 13 Ca -0.17 -0.76 0.07 0.00 -0.53 0.00 0.00 54.58 53.20 1a57 n ASN 13 Cb 0.54 -0.92 -0.10 0.00 -2.08 0.00 0.00 39.78 37.22 1a57 n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a57 n TYR 14 N -3.24 0.00 -4.40 -2.53 9.36 -1.20 -4.96 117.16 110.19 1a57 n TYR 14 Ca -0.13 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 60.88 1a57 n TYR 14 Cb 0.37 -0.21 -0.16 0.00 -0.63 0.00 0.00 39.34 38.70 1a57 n TYR 14 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1a57 s SER 15 N -3.21 1.31 0.34 2.98 1.04 -1.26 -5.11 113.70 109.80 1a57 s SER 15 Ca -0.01 -0.21 -0.26 0.00 0.48 0.00 0.00 55.95 55.95 1a57 s SER 15 Cb 0.10 -0.47 -0.13 0.00 0.10 0.00 0.00 66.02 65.61 1a57 s SER 15 CO 0.61 0.04 0.80 0.61 0.98 0.00 0.00 173.24 176.27 1a57 n GLY 16 N 3.56 -0.83 2.14 7.32 0.00 -1.26 -4.22 105.19 111.90 1a57 n GLY 16 Ca -0.21 0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.28 -3.33 -0.29 4.61 0.00 -1.26 -4.85 120.51 115.11 1a57 n ALA 17 Ca 0.11 1.41 0.01 0.00 0.00 0.00 0.00 53.44 54.97 1a57 n ALA 17 Cb 0.35 -2.80 0.08 0.00 0.00 0.00 0.00 19.45 17.07 1a57 n ALA 17 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1a57 h HIS 18 N 2.59 -0.66 -5.54 0.00 -0.00 -2.03 -3.47 115.15 106.04 1a57 h HIS 18 Ca -0.32 0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.09 1a57 h HIS 18 Cb 0.73 0.41 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 1a57 h HIS 18 CO 0.00 -0.37 -0.90 -0.25 -0.00 0.00 0.00 177.93 176.41 1a57 n ASP 19 N -5.51 -7.52 -0.07 2.45 9.92 -1.26 -4.98 116.55 109.58 1a57 n ASP 19 Ca 0.10 0.88 -0.06 0.00 -0.53 0.00 0.00 54.79 55.19 1a57 n ASP 19 Cb 0.41 -4.31 -0.03 0.00 -0.64 0.00 0.00 41.12 36.54 1a57 n ASP 19 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1a57 h ASN 20 N 2.81 0.00 0.00 -2.24 2.35 -1.97 -3.47 115.58 113.07 1a57 h ASN 20 Ca -0.06 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1a57 h ASN 20 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1a57 h ASN 20 CO 0.12 0.76 0.00 0.00 -1.65 0.00 0.00 177.43 176.66 1a57 n LEU 21 N -4.66 0.00 -1.53 1.61 -0.00 -1.26 -4.73 117.00 106.43 1a57 n LEU 21 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1a57 n LEU 21 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 1a57 n LEU 21 CO 0.10 0.00 -0.47 2.29 -0.00 0.00 0.00 177.39 179.31 1a57 n LYS 22 N 0.00 -4.02 -4.56 1.47 2.85 -1.26 -3.52 118.16 109.12 1a57 n LYS 22 Ca 0.00 3.12 -0.26 0.00 -1.05 0.00 0.00 58.31 60.12 1a57 n LYS 22 Cb 0.00 -3.88 -0.10 0.00 -0.65 0.00 0.00 35.03 30.40 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 -5.25 2.35 0.00 -5.58 1.43 -1.23 -3.65 118.68 106.75 1a57 s LEU 23 Ca 0.00 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.63 1a57 s LEU 23 Cb 0.00 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1a57 s LEU 23 CO 0.00 -0.66 0.00 0.41 0.23 0.00 0.00 176.35 176.33 1a57 n THR 24 N -0.90 0.00 -0.71 5.49 -1.04 -1.26 -1.18 114.28 114.69 1a57 n THR 24 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1a57 n THR 24 Cb 0.66 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 1a57 n THR 24 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1a57 n ILE 25 N -0.93 -2.89 -2.70 12.58 -0.00 -1.25 -3.57 119.36 120.59 1a57 n ILE 25 Ca 0.00 1.05 -0.05 0.00 -0.00 0.00 0.00 62.75 63.75 1a57 n ILE 25 Cb 0.00 -1.57 0.05 0.00 -0.00 0.00 0.00 39.64 38.12 1a57 n ILE 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1a57 n THR 26 N -0.74 0.00 -1.59 1.39 -1.04 -1.26 -1.65 114.28 109.39 1a57 n THR 26 Ca 0.00 -0.82 -0.41 0.00 -2.04 0.00 0.00 64.05 60.79 1a57 n THR 26 Cb 0.00 1.07 0.02 0.00 -1.82 0.00 0.00 70.33 69.60 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 1.98 1.15 -3.09 -2.82 0.00 -1.26 -4.82 117.38 108.52 1a57 n GLN 27 Ca 0.08 0.42 -0.24 0.00 0.00 0.00 0.00 57.00 57.26 1a57 n GLN 27 Cb 0.65 -1.99 -0.04 0.00 0.00 0.00 0.00 30.24 28.85 1a57 n GLN 27 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1a57 n GLU 28 N -0.02 2.33 0.00 2.61 0.28 -1.21 -4.79 120.64 119.83 1a57 n GLU 28 Ca 0.10 -4.31 0.00 0.00 -0.16 0.00 0.00 57.16 52.80 1a57 n GLU 28 Cb 0.41 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 31.26 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 0.17 0.76 2.41 -1.84 0.00 -1.26 -4.42 105.19 101.01 1a57 n GLY 29 Ca 0.28 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 -3.82 -4.44 1.61 3.02 -1.26 -4.85 115.26 105.51 1a57 n ASN 30 Ca 0.00 0.14 -0.44 0.00 -0.03 0.00 0.00 54.58 54.25 1a57 n ASN 30 Cb 0.00 -2.85 -0.01 0.00 -0.61 0.00 0.00 39.78 36.31 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 -2.08 3.90 0.25 3.52 2.20 -1.26 -3.07 119.74 123.20 1a57 s LYS 31 Ca 0.00 -2.33 -0.25 0.00 -0.36 0.00 0.00 55.97 53.03 1a57 s LYS 31 Cb 0.00 -4.94 -0.09 0.00 -1.51 0.00 0.00 37.83 31.29 1a57 s LYS 31 CO 0.00 -1.71 0.86 -0.06 -0.36 0.00 0.00 175.35 174.08 1a57 s PHE 32 N 1.70 3.80 -0.20 4.03 0.40 -1.01 -3.35 117.98 123.36 1a57 s PHE 32 Ca 0.37 1.70 -0.00 0.00 -0.60 0.00 0.00 56.93 58.40 1a57 s PHE 32 Cb -0.04 -2.84 0.05 0.00 0.51 0.00 0.00 43.02 40.70 1a57 s PHE 32 CO -0.04 0.36 -0.05 -0.08 0.70 0.00 0.00 175.22 176.11 1a57 s THR 33 N -1.39 1.26 0.42 0.64 -1.32 -1.26 -2.00 115.64 111.99 1a57 s THR 33 Ca 0.43 -0.86 -0.21 0.00 -1.21 0.00 0.00 61.69 59.84 1a57 s THR 33 Cb -0.21 -1.49 -0.11 0.00 -1.51 0.00 0.00 72.50 69.19 1a57 s THR 33 CO 0.26 0.03 0.94 -0.69 -2.21 0.00 0.00 174.62 172.94 1a57 s VAL 34 N 1.55 4.40 -2.18 5.08 1.01 -1.12 -3.92 120.40 125.21 1a57 s VAL 34 Ca -0.02 1.47 0.23 0.00 0.00 0.00 0.00 61.98 63.66 1a57 s VAL 34 Cb -0.17 -3.61 0.57 0.00 0.00 0.00 0.00 36.38 33.17 1a57 s VAL 34 CO -0.07 -0.30 1.74 1.17 0.00 0.00 0.00 175.10 177.64 1a57 n LYS 35 N -0.60 1.37 -1.40 2.72 4.81 -1.26 -3.45 118.16 120.35 1a57 n LYS 35 Ca 0.07 -0.55 -0.52 0.00 -0.87 0.00 0.00 58.31 56.44 1a57 n LYS 35 Cb 0.54 -1.39 -0.09 0.00 0.02 0.00 0.00 35.03 34.11 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 -0.26 0.75 -3.90 1.64 0.00 -1.24 -4.43 120.64 113.19 1a57 n GLU 36 Ca 0.17 0.19 -0.35 0.00 0.00 0.00 0.00 57.16 57.17 1a57 n GLU 36 Cb 0.22 -2.21 -0.10 0.00 0.00 0.00 0.00 31.44 29.35 1a57 n GLU 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1a57 s SER 37 N 7.27 5.61 0.00 4.31 0.01 -1.23 -4.45 113.70 125.21 1a57 s SER 37 Ca 1.13 0.02 0.00 0.00 1.31 0.00 0.00 55.95 58.41 1a57 s SER 37 Cb -1.01 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 63.24 1a57 s SER 37 CO 0.52 0.11 0.00 -1.20 0.41 0.00 0.00 173.24 173.08 1a57 n SER 38 N 3.98 0.00 0.00 2.44 7.64 -1.11 -4.60 113.62 121.97 1a57 n SER 38 Ca -0.16 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1a57 n SER 38 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.11 0.00 -2.50 6.43 2.85 -1.26 -1.88 115.26 118.79 1a57 n ASN 39 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 1a57 n ASN 39 Cb 0.00 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.10 1a57 n ASN 39 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1a57 n PHE 40 N 0.00 -1.56 -3.46 1.20 -0.00 -1.26 -5.13 117.46 107.24 1a57 n PHE 40 Ca 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 57.45 56.12 1a57 n PHE 40 Cb 0.00 1.35 0.00 0.00 -0.00 0.00 0.00 39.48 40.83 1a57 n PHE 40 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 1a57 n ARG 41 N -0.81 -0.64 -3.88 -4.13 0.00 -0.79 -5.11 116.66 101.31 1a57 n ARG 41 Ca -0.12 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.37 1a57 n ARG 41 Cb 0.77 0.00 -0.13 0.00 -0.00 0.00 0.00 32.46 33.10 1a57 n ARG 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1a57 s ASN 42 N -4.00 4.80 -0.36 2.89 4.22 -1.26 -2.75 114.94 118.48 1a57 s ASN 42 Ca 0.00 -0.26 0.03 0.00 -2.14 0.00 0.00 52.86 50.49 1a57 s ASN 42 Cb 0.00 -1.84 0.15 0.00 1.28 0.00 0.00 41.25 40.84 1a57 s ASN 42 CO 0.00 -0.01 0.38 -0.51 -2.04 0.00 0.00 177.10 174.92 1a57 s ILE 43 N 1.42 -0.38 0.45 0.54 2.07 -1.26 -5.01 121.20 119.04 1a57 s ILE 43 Ca 0.05 -0.87 -0.25 0.00 -1.41 0.00 0.00 60.65 58.17 1a57 s ILE 43 Cb -0.15 -0.69 -0.08 0.00 0.13 0.00 0.00 42.46 41.67 1a57 s ILE 43 CO 0.01 -0.54 1.44 1.51 -1.91 0.00 0.00 174.94 175.45 1a57 s ASP 44 N 1.58 5.84 -0.51 4.50 1.47 -1.26 -4.78 116.67 123.51 1a57 s ASP 44 Ca 0.16 2.94 -0.11 0.00 1.18 0.00 0.00 52.55 56.72 1a57 s ASP 44 Cb -0.15 -2.65 0.13 0.00 -0.34 0.00 0.00 42.92 39.91 1a57 s ASP 44 CO -0.08 -1.20 0.41 -0.69 0.68 0.00 0.00 175.17 174.29 1a57 s VAL 45 N -1.20 4.50 0.39 2.11 1.01 -1.22 -4.96 120.40 121.03 1a57 s VAL 45 Ca 0.61 -1.79 0.07 0.00 0.00 0.00 0.00 61.98 60.87 1a57 s VAL 45 Cb -0.44 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 1a57 s VAL 45 CO 0.57 -0.82 0.49 0.54 0.00 0.00 0.00 175.10 175.88 1a57 s VAL 46 N 1.31 3.33 0.09 2.92 0.11 -1.26 -2.79 120.40 124.11 1a57 s VAL 46 Ca 0.06 -1.08 -0.26 0.00 -2.93 0.00 0.00 61.98 57.77 1a57 s VAL 46 Cb -0.26 -3.14 0.08 0.00 -1.53 0.00 0.00 36.38 31.53 1a57 s VAL 46 CO -0.00 -0.06 0.83 0.72 -3.33 0.00 0.00 175.10 173.25 1a57 s PHE 47 N -2.31 -0.33 -0.38 1.54 -0.71 -0.85 -5.02 117.98 109.93 1a57 s PHE 47 Ca 0.50 0.11 0.06 0.00 -1.04 0.00 0.00 56.93 56.56 1a57 s PHE 47 Cb -0.08 0.58 0.63 0.00 -1.21 0.00 0.00 43.02 42.94 1a57 s PHE 47 CO 0.31 -0.74 1.76 -1.91 -1.34 0.00 0.00 175.22 173.31 1a57 n GLU 48 N -0.34 2.34 -2.66 1.99 2.13 -1.26 -2.40 120.64 120.43 1a57 n GLU 48 Ca -0.10 -3.07 -0.02 0.00 0.66 0.00 0.00 57.16 54.63 1a57 n GLU 48 Cb 0.62 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1a57 n GLU 48 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1a57 n LEU 49 N -1.00 -7.52 -1.77 4.31 4.32 -1.17 -4.71 117.00 109.45 1a57 n LEU 49 Ca 0.49 1.04 -0.01 0.00 -0.02 0.00 0.00 56.01 57.51 1a57 n LEU 49 Cb 1.44 -3.18 0.00 0.00 -1.62 0.00 0.00 43.42 40.06 1a57 n LEU 49 CO 0.45 -2.70 0.04 0.61 -1.22 0.00 0.00 177.39 174.57 1a57 n GLY 50 N 0.32 -0.64 0.49 -0.72 0.00 0.23 -4.88 105.19 99.99 1a57 n GLY 50 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.80 0.00 -0.30 1.61 3.14 -1.26 -5.01 118.33 115.70 1a57 n VAL 51 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1a57 n VAL 51 Cb 0.29 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.79 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 -1.97 -2.60 -3.51 6.55 9.92 -1.26 -5.07 116.55 118.61 1a57 n ASP 52 Ca 0.00 0.11 -0.16 0.00 -0.53 0.00 0.00 54.79 54.21 1a57 n ASP 52 Cb 0.11 -0.07 -0.05 0.00 -0.64 0.00 0.00 41.12 40.47 1a57 n ASP 52 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1a57 s PHE 53 N -0.75 -0.60 -0.25 1.24 -0.71 0.12 -4.98 117.98 112.04 1a57 s PHE 53 Ca 0.00 0.93 -0.06 0.00 -1.04 0.00 0.00 56.93 56.77 1a57 s PHE 53 Cb 0.00 0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 42.24 1a57 s PHE 53 CO 0.00 -0.61 0.03 0.00 -1.34 0.00 0.00 175.22 173.30 1a57 s ALA 54 N -1.60 3.00 -0.05 1.99 0.00 -1.26 -1.30 121.76 122.53 1a57 s ALA 54 Ca -0.08 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.60 1a57 s ALA 54 Cb -0.00 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.18 1a57 s ALA 54 CO 0.05 -0.60 0.14 -0.47 0.00 0.00 0.00 175.76 174.88 1a57 s TYR 55 N 1.53 -0.15 -0.64 0.00 6.14 -0.71 -5.01 117.35 118.51 1a57 s TYR 55 Ca 0.05 0.38 -0.18 0.00 0.64 0.00 0.00 57.07 57.96 1a57 s TYR 55 Cb -0.15 0.03 0.12 0.00 0.42 0.00 0.00 41.96 42.38 1a57 s TYR 55 CO 0.01 -0.09 0.73 0.45 0.64 0.00 0.00 175.55 177.29 1a57 s SER 56 N 0.23 6.28 0.15 4.32 0.15 -1.26 -2.73 113.70 120.84 1a57 s SER 56 Ca -0.01 -1.64 -0.25 0.00 0.70 0.00 0.00 55.95 54.74 1a57 s SER 56 Cb -0.02 -2.29 -0.08 0.00 -1.71 0.00 0.00 66.02 61.92 1a57 s SER 56 CO -0.01 -1.04 0.77 -0.76 1.20 0.00 0.00 173.24 173.41 1a57 s LEU 57 N 2.34 4.58 0.00 3.45 1.43 -1.01 -3.97 118.68 125.49 1a57 s LEU 57 Ca 0.13 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 1a57 s LEU 57 Cb -0.22 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1a57 s LEU 57 CO 0.03 0.19 0.00 0.00 0.23 0.00 0.00 176.35 176.80 1a57 n ALA 58 N 1.76 0.00 0.00 4.21 0.00 -1.26 -1.94 120.51 123.28 1a57 n ALA 58 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1a57 n ALA 58 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.10 0.00 0.05 0.00 8.00 -1.25 -4.48 116.55 118.77 1a57 n ASP 59 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 1a57 n ASP 59 Cb 0.20 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.16 1a57 n ASP 59 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1a57 h GLY 60 N 0.00 0.40 -2.01 0.44 0.00 -1.92 -3.46 103.07 96.51 1a57 h GLY 60 Ca 0.00 -1.02 -0.45 0.00 0.00 0.00 0.00 47.33 45.86 1a57 h GLY 60 CO 0.00 0.89 0.35 -0.51 0.00 0.00 0.00 176.54 177.27 1a57 s THR 61 N -2.56 4.31 -0.45 4.70 -4.23 -0.82 -4.77 115.64 111.82 1a57 s THR 61 Ca -0.18 1.38 0.07 0.00 -1.18 0.00 0.00 61.69 61.78 1a57 s THR 61 Cb 0.05 -3.59 0.26 0.00 1.34 0.00 0.00 72.50 70.56 1a57 s THR 61 CO 0.82 -0.36 0.81 -0.62 -0.54 0.00 0.00 174.62 174.73 1a57 n GLU 62 N -0.85 0.80 -2.67 3.99 1.02 -1.26 -2.40 120.64 119.26 1a57 n GLU 62 Ca 0.07 -2.25 -0.42 0.00 -0.02 0.00 0.00 57.16 54.55 1a57 n GLU 62 Cb 0.54 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 1a57 n GLU 62 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1a57 s LEU 63 N -1.11 4.40 -0.29 -4.62 1.02 -1.11 -3.34 118.68 113.63 1a57 s LEU 63 Ca 0.32 1.74 0.03 0.00 0.02 0.00 0.00 54.13 56.25 1a57 s LEU 63 Cb 0.23 -3.58 0.08 0.00 0.02 0.00 0.00 46.19 42.94 1a57 s LEU 63 CO -0.18 -0.24 -0.04 -0.89 0.02 0.00 0.00 176.35 175.02 1a57 s THR 64 N 0.76 2.24 0.00 5.49 2.01 -1.22 -1.73 115.64 123.19 1a57 s THR 64 Ca 0.52 -1.92 0.00 0.00 0.31 0.00 0.00 61.69 60.60 1a57 s THR 64 Cb -0.23 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 69.82 1a57 s THR 64 CO 0.29 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 1a57 n GLY 65 N 4.36 2.02 3.29 4.40 0.00 -0.42 -3.92 105.19 114.92 1a57 n GLY 65 Ca -0.07 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.58 0.08 -0.22 2.61 -1.32 -1.23 0.14 115.64 113.12 1a57 s THR 66 Ca 0.00 -0.64 0.01 0.00 -1.21 0.00 0.00 61.69 59.85 1a57 s THR 66 Cb 0.00 -1.06 0.05 0.00 -1.51 0.00 0.00 72.50 69.98 1a57 s THR 66 CO 0.00 -0.35 -0.08 0.26 -2.21 0.00 0.00 174.62 172.24 1a57 s TRP 67 N -3.07 2.42 -0.75 9.09 0.23 -1.26 -3.22 118.94 122.38 1a57 s TRP 67 Ca -0.01 -1.68 0.01 0.00 -2.03 0.00 0.00 56.10 52.38 1a57 s TRP 67 Cb 0.01 -1.61 0.36 0.00 0.03 0.00 0.00 33.47 32.26 1a57 s TRP 67 CO -0.07 -0.76 1.65 0.25 0.96 0.00 0.00 176.95 178.99 1a57 n THR 68 N 4.67 3.67 -1.40 2.01 -2.24 -1.11 0.76 114.28 120.64 1a57 n THR 68 Ca -0.13 -4.88 -0.56 0.00 -2.27 0.00 0.00 64.05 56.21 1a57 n THR 68 Cb 0.45 -1.32 -0.09 0.00 -2.10 0.00 0.00 70.33 67.27 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 -0.41 0.61 -0.03 -0.78 1.56 -1.26 -4.68 117.12 112.12 1a57 n MET 69 Ca 0.47 0.18 -0.22 0.00 -0.27 0.00 0.00 57.70 57.86 1a57 n MET 69 Cb 0.36 -2.00 -0.13 0.00 2.15 0.00 0.00 33.22 33.60 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 7.48 0.70 0.00 2.12 4.07 -1.26 -4.93 120.64 128.82 1a57 n GLU 70 Ca 0.45 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.91 1a57 n GLU 70 Cb 0.10 -1.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.76 1a57 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a57 n GLY 71 N 1.81 1.13 2.29 8.31 0.00 -1.26 -4.92 105.19 112.54 1a57 n GLY 71 Ca -0.32 0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -3.95 -1.68 1.61 3.02 -1.26 -4.99 115.26 108.01 1a57 n ASN 72 Ca 0.00 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1a57 n ASN 72 Cb 0.00 -1.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.48 1a57 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a57 n LYS 73 N -2.10 1.69 -2.33 3.52 4.01 -1.26 -2.55 118.16 119.15 1a57 n LYS 73 Ca -0.03 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.75 1a57 n LYS 73 Cb 0.19 0.00 0.06 0.00 -0.51 0.00 0.00 35.03 34.77 1a57 n LYS 73 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1a57 n LEU 74 N 0.00 -1.04 -4.74 -0.35 4.77 0.60 -4.58 117.00 111.66 1a57 n LEU 74 Ca 0.00 -2.32 -0.41 0.00 -0.03 0.00 0.00 56.01 53.25 1a57 n LEU 74 Cb 0.00 0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1a57 n LEU 74 CO 0.00 1.42 0.73 -0.69 -1.33 0.00 0.00 177.39 177.52 1a57 s VAL 75 N 0.08 4.06 -4.12 4.08 1.01 -1.26 -3.53 120.40 120.72 1a57 s VAL 75 Ca 0.07 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.87 1a57 s VAL 75 Cb 0.23 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1a57 s VAL 75 CO -0.06 0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1a57 n GLY 76 N 1.94 -0.50 0.00 4.51 0.00 -1.26 -2.73 105.19 107.15 1a57 n GLY 76 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.20 -4.69 118.16 114.20 1a57 n LYS 77 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 1a57 n LYS 77 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 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 -1.13 1.78 -0.28 5.64 0.40 -1.26 -3.48 117.98 119.65 1a57 s PHE 78 Ca 0.00 -1.34 -0.17 0.00 -0.60 0.00 0.00 56.93 54.82 1a57 s PHE 78 Cb 0.00 -1.10 0.10 0.00 0.51 0.00 0.00 43.02 42.53 1a57 s PHE 78 CO 0.00 -0.38 0.81 0.21 0.70 0.00 0.00 175.22 176.57 1a57 s LYS 79 N -3.67 0.59 -0.83 0.44 2.36 -1.25 -2.14 119.74 115.24 1a57 s LYS 79 Ca 0.25 0.98 -0.22 0.00 -2.55 0.00 0.00 55.97 54.43 1a57 s LYS 79 Cb 0.02 0.14 0.08 0.00 -1.05 0.00 0.00 37.83 37.02 1a57 s LYS 79 CO 0.16 -0.12 1.15 0.50 1.55 0.00 0.00 175.35 178.59 1a57 s ARG 80 N 1.37 3.37 0.59 4.03 3.52 -1.26 -3.44 118.95 127.13 1a57 s ARG 80 Ca -0.08 -1.11 0.30 0.00 -0.13 0.00 0.00 55.73 54.70 1a57 s ARG 80 Cb -0.05 -4.66 1.31 0.00 -1.56 0.00 0.00 34.95 29.99 1a57 s ARG 80 CO -0.16 -1.92 1.68 -0.24 -0.81 0.00 0.00 175.30 173.84 1a57 h VAL 81 N 6.10 0.22 -0.44 7.11 3.04 -1.94 0.45 116.25 130.79 1a57 h VAL 81 Ca -0.05 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.53 1a57 h VAL 81 Cb 1.04 0.37 -0.02 0.00 -2.01 0.00 0.00 31.29 30.68 1a57 h VAL 81 CO 1.22 0.00 -0.15 -0.78 -1.01 0.00 0.00 177.57 176.85 1a57 h ASP 82 N 0.00 0.84 -0.01 3.17 1.82 -1.86 -3.29 116.42 117.09 1a57 h ASP 82 Ca 0.36 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1a57 h ASP 82 Cb 1.95 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.73 1a57 h ASP 82 CO -0.00 0.99 -0.16 0.59 -1.61 0.00 0.00 179.24 179.05 1a57 n ASN 83 N -4.14 1.42 -1.40 2.28 3.02 0.15 -4.92 115.26 111.66 1a57 n ASN 83 Ca 0.01 -1.21 -0.10 0.00 -0.03 0.00 0.00 54.58 53.25 1a57 n ASN 83 Cb 0.40 0.34 0.01 0.00 -0.61 0.00 0.00 39.78 39.92 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 0.83 0.06 0.00 7.41 0.00 -0.58 -4.96 105.19 107.95 1a57 n GLY 84 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.17 0.00 -1.26 1.61 3.00 -1.09 -4.94 118.16 113.31 1a57 n LYS 85 Ca -0.08 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1a57 n LYS 85 Cb 0.57 -0.77 0.00 0.00 0.00 0.00 0.00 35.03 34.83 1a57 n LYS 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1a57 n GLU 86 N -0.76 0.00 -2.43 1.64 1.02 -1.26 -3.82 120.64 115.03 1a57 n GLU 86 Ca 0.00 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 1a57 n GLU 86 Cb 0.00 -1.26 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.24 6.73 0.00 -4.62 7.94 -0.91 -4.04 117.00 120.85 1a57 n LEU 87 Ca 0.00 -4.77 -0.29 0.00 -1.11 0.00 0.00 56.01 49.84 1a57 n LEU 87 Cb 0.42 -1.43 0.21 0.00 0.53 0.00 0.00 43.42 43.15 1a57 n LEU 87 CO 0.00 1.50 0.77 -0.38 -1.11 0.00 0.00 177.39 178.16 1a57 n ILE 88 N 2.81 0.00 -2.86 1.96 5.41 -0.39 -4.19 119.36 122.10 1a57 n ILE 88 Ca 0.39 -0.80 -0.12 0.00 1.00 0.00 0.00 62.75 63.22 1a57 n ILE 88 Cb 0.35 -1.43 0.02 0.00 -0.71 0.00 0.00 39.64 37.86 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 -4.14 -0.46 -1.93 -1.39 0.00 -1.25 -2.24 120.51 109.09 1a57 n ALA 89 Ca -0.21 -1.89 -0.41 0.00 0.00 0.00 0.00 53.44 50.93 1a57 n ALA 89 Cb 0.56 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 0.22 3.45 0.00 0.00 1.01 0.26 -4.64 120.40 120.70 1a57 s VAL 90 Ca 0.33 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1a57 s VAL 90 Cb 0.22 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1a57 s VAL 90 CO -0.21 0.25 0.00 -1.14 0.00 0.00 0.00 175.10 174.00 1a57 n ARG 91 N 1.91 0.00 -3.67 2.72 3.00 -1.23 -3.11 116.66 116.27 1a57 n ARG 91 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.75 1a57 n ARG 91 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.84 1a57 n ARG 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1a57 s GLU 92 N -2.00 0.91 -0.80 -0.14 -1.05 -1.26 0.22 118.70 114.58 1a57 s GLU 92 Ca 0.00 -0.38 -0.23 0.00 -0.15 0.00 0.00 54.97 54.21 1a57 s GLU 92 Cb 0.00 0.41 -0.17 0.00 -0.44 0.00 0.00 34.13 33.93 1a57 s GLU 92 CO 0.00 -0.31 2.38 -0.89 0.95 0.00 0.00 175.26 177.39 1a57 n ILE 93 N 0.51 -0.01 -0.24 1.83 2.08 -1.06 -4.53 119.36 117.95 1a57 n ILE 93 Ca -0.18 -0.52 -0.06 0.00 0.56 0.00 0.00 62.75 62.55 1a57 n ILE 93 Cb 0.60 -1.71 -0.05 0.00 -0.75 0.00 0.00 39.64 37.73 1a57 n ILE 93 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1a57 n SER 94 N 16.05 -0.57 0.00 4.38 2.88 0.20 -4.60 113.62 131.96 1a57 n SER 94 Ca 0.50 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 59.04 1a57 n SER 94 Cb 0.38 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 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 -1.16 0.11 0.76 0.46 0.00 -1.26 -4.89 105.19 99.20 1a57 n GLY 95 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.69 1.34 -3.57 1.61 2.85 -1.26 -5.01 115.26 110.53 1a57 n ASN 96 Ca 0.00 -2.87 -0.08 0.00 -0.11 0.00 0.00 54.58 51.52 1a57 n ASN 96 Cb 0.00 -0.39 -0.02 0.00 1.24 0.00 0.00 39.78 40.61 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 -1.67 1.12 -0.07 1.20 4.04 -1.26 -4.49 118.70 117.58 1a57 s GLU 97 Ca 0.30 -0.49 0.04 0.00 0.04 0.00 0.00 54.97 54.85 1a57 s GLU 97 Cb 0.30 0.46 -0.02 0.00 0.02 0.00 0.00 34.13 34.89 1a57 s GLU 97 CO -0.07 -0.50 -0.17 -1.17 -1.84 0.00 0.00 175.26 171.51 1a57 s LEU 98 N -2.69 2.53 -0.11 1.83 2.96 -1.26 0.62 118.68 122.55 1a57 s LEU 98 Ca 0.06 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1a57 s LEU 98 Cb -0.02 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 1a57 s LEU 98 CO -0.06 0.28 -0.09 0.40 -1.32 0.00 0.00 176.35 175.56 1a57 h ILE 99 N 4.77 0.00 -2.09 6.68 2.04 -1.80 -2.95 117.51 124.16 1a57 h ILE 99 Ca -0.38 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1a57 h ILE 99 Cb 1.17 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1a57 h ILE 99 CO 0.51 0.00 0.00 1.67 0.00 0.00 0.00 178.15 180.33 1a57 n GLN 100 N -4.49 0.00 -3.43 2.37 -0.06 -1.26 -3.47 117.38 107.03 1a57 n GLN 100 Ca -0.03 0.35 -0.43 0.00 -2.00 0.00 0.00 57.00 54.88 1a57 n GLN 100 Cb 0.13 -0.70 -0.06 0.00 -4.06 0.00 0.00 30.24 25.55 1a57 n GLN 100 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1a57 s THR 101 N 0.00 4.75 -0.75 1.69 -4.23 -1.18 -3.41 115.64 112.51 1a57 s THR 101 Ca 0.00 -1.77 -0.26 0.00 -1.18 0.00 0.00 61.69 58.48 1a57 s THR 101 Cb 0.00 -4.07 -0.02 0.00 1.34 0.00 0.00 72.50 69.75 1a57 s THR 101 CO 0.00 -0.84 1.82 -0.31 -0.54 0.00 0.00 174.62 174.74 1a57 s TYR 102 N 1.30 1.82 0.22 3.99 2.02 -0.10 -0.57 117.35 126.02 1a57 s TYR 102 Ca 0.06 0.55 -0.31 0.00 -0.37 0.00 0.00 57.07 57.01 1a57 s TYR 102 Cb -0.26 -4.16 -0.10 0.00 -0.40 0.00 0.00 41.96 37.04 1a57 s TYR 102 CO 0.00 -2.06 1.52 0.99 -1.57 0.00 0.00 175.55 174.43 1a57 s THR 103 N 8.90 2.54 -0.11 -0.71 2.01 -0.95 -3.60 115.64 123.72 1a57 s THR 103 Ca 0.64 0.42 -0.29 0.00 0.31 0.00 0.00 61.69 62.77 1a57 s THR 103 Cb -0.09 -3.27 0.07 0.00 0.01 0.00 0.00 72.50 69.22 1a57 s THR 103 CO 0.10 0.05 0.70 -0.47 -0.69 0.00 0.00 174.62 174.31 1a57 s TYR 104 N 0.53 -0.69 -0.30 4.92 5.04 -1.21 -1.26 117.35 124.38 1a57 s TYR 104 Ca 0.65 1.33 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 1a57 s TYR 104 Cb -0.44 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.25 1a57 s TYR 104 CO 0.38 -0.55 0.00 0.39 -1.34 0.00 0.00 175.55 174.44 1a57 n GLU 105 N 1.36 -2.60 -0.17 4.97 1.02 -1.25 -0.10 120.64 123.88 1a57 n GLU 105 Ca -0.18 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1a57 n GLU 105 Cb 0.57 -4.65 0.00 0.00 -0.02 0.00 0.00 31.44 27.34 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 -0.53 0.85 0.00 0.62 0.00 -1.26 -5.06 105.19 99.81 1a57 n GLY 106 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.14 0.00 -3.53 1.61 0.31 0.86 -5.12 118.33 110.32 1a57 n VAL 107 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1a57 n VAL 107 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 1a57 n VAL 107 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1a57 s GLU 108 N 1.07 0.54 0.08 5.55 2.02 -1.26 -3.31 118.70 123.39 1a57 s GLU 108 Ca 0.00 -1.15 0.03 0.00 0.02 0.00 0.00 54.97 53.87 1a57 s GLU 108 Cb 0.00 -1.43 -0.04 0.00 0.10 0.00 0.00 34.13 32.76 1a57 s GLU 108 CO 0.00 -1.13 0.09 0.00 0.02 0.00 0.00 175.26 174.24 1a57 s ALA 109 N 1.33 3.59 0.33 5.21 0.00 -1.24 -5.02 121.76 125.97 1a57 s ALA 109 Ca 0.15 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 1a57 s ALA 109 Cb -0.21 -1.45 -0.00 0.00 0.00 0.00 0.00 23.12 21.46 1a57 s ALA 109 CO -0.12 0.74 0.46 -1.59 0.00 0.00 0.00 175.76 175.24 1a57 s LYS 110 N -2.45 1.86 -0.24 0.00 -2.85 -1.26 -0.93 119.74 113.87 1a57 s LYS 110 Ca 0.30 -1.73 -0.03 0.00 -1.00 0.00 0.00 55.97 53.51 1a57 s LYS 110 Cb -0.12 0.44 0.11 0.00 -2.06 0.00 0.00 37.83 36.20 1a57 s LYS 110 CO 0.22 -0.76 0.28 0.50 0.10 0.00 0.00 175.35 175.69 1a57 s ARG 111 N -3.17 0.26 0.23 1.78 6.06 -1.22 -4.98 118.95 117.91 1a57 s ARG 111 Ca 0.31 0.18 -0.32 0.00 -2.50 0.00 0.00 55.73 53.39 1a57 s ARG 111 Cb -0.00 -0.89 -0.13 0.00 0.06 0.00 0.00 34.95 33.99 1a57 s ARG 111 CO 0.19 -0.76 1.56 1.51 -2.50 0.00 0.00 175.30 175.31 1a57 n ILE 112 N 5.33 0.58 -4.25 4.11 3.06 -1.26 -4.52 119.36 122.40 1a57 n ILE 112 Ca -0.04 -0.14 -0.17 0.00 -2.50 0.00 0.00 62.75 59.90 1a57 n ILE 112 Cb 0.49 -1.73 -0.09 0.00 0.54 0.00 0.00 39.64 38.85 1a57 n ILE 112 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 1a57 s PHE 113 N 0.41 1.52 0.00 9.51 0.08 -1.23 -5.04 117.98 123.23 1a57 s PHE 113 Ca 0.71 -1.55 0.00 0.00 0.12 0.00 0.00 56.93 56.21 1a57 s PHE 113 Cb -0.58 -0.65 0.00 0.00 -0.57 0.00 0.00 43.02 41.22 1a57 s PHE 113 CO 0.43 -0.79 0.00 0.36 -0.10 0.00 0.00 175.22 175.13 1a57 n LYS 114 N -0.49 0.00 -2.25 0.44 0.00 -1.12 -4.08 118.16 110.67 1a57 n LYS 114 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.28 1a57 n LYS 114 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.67 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 1.25 0.00 -1.58 4.81 -1.26 -2.08 118.16 119.30 1a57 n LYS 115 Ca 0.00 -1.08 0.00 0.00 -0.87 0.00 0.00 58.31 56.36 1a57 n LYS 115 Cb 0.00 0.12 0.00 0.00 0.02 0.00 0.00 35.03 35.17 1a57 n LYS 115 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66