#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 0.76 -1.37 0.00 3.72 -1.26 -4.86 117.46 114.45 1a57 n PHE 2 Ca 0.00 0.25 -0.20 0.00 -0.05 0.00 0.00 57.45 57.45 1a57 n PHE 2 Cb 0.00 -1.13 -0.21 0.00 -0.94 0.00 0.00 39.48 37.20 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 -3.04 -1.37 0.00 4.37 5.75 -1.11 -4.23 116.55 116.92 1a57 n ASP 3 Ca -0.24 -0.52 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 1a57 n ASP 3 Cb 1.07 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 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 5.03 -0.04 3.94 6.12 0.00 0.56 -4.96 105.19 115.85 1a57 n GLY 4 Ca 0.61 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 4.85 0.21 2.61 -4.23 -1.26 -2.32 115.64 113.50 1a57 s THR 5 Ca 0.00 -0.36 0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1a57 s THR 5 Cb 0.00 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 1a57 s THR 5 CO 0.00 -0.56 -0.11 0.26 -0.54 0.00 0.00 174.62 173.67 1a57 s TRP 6 N -2.43 1.67 0.10 3.99 0.52 0.33 -4.83 118.94 118.29 1a57 s TRP 6 Ca 0.43 -0.65 0.00 0.00 0.02 0.00 0.00 56.10 55.89 1a57 s TRP 6 Cb -0.10 -0.83 0.00 0.00 -1.15 0.00 0.00 33.47 31.39 1a57 s TRP 6 CO 0.38 0.27 0.00 1.63 0.02 0.00 0.00 176.95 179.24 1a57 n LYS 7 N -0.39 -0.91 0.00 4.98 5.02 0.26 -2.91 118.16 124.22 1a57 n LYS 7 Ca -0.08 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1a57 n LYS 7 Cb 0.61 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 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 -1.67 0.00 -2.60 -0.18 0.31 -1.26 -4.81 118.33 108.11 1a57 n VAL 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a57 n VAL 8 Cb 0.21 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.17 1a57 n VAL 8 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1a57 n ASP 9 N 0.04 0.62 -2.63 4.52 5.75 -1.26 -4.92 116.55 118.68 1a57 n ASP 9 Ca 0.00 -2.04 -0.05 0.00 -0.01 0.00 0.00 54.79 52.69 1a57 n ASP 9 Cb 0.00 -0.15 0.04 0.00 -1.03 0.00 0.00 41.12 39.98 1a57 n ASP 9 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1a57 n ARG 10 N -0.31 -1.18 0.00 0.11 5.12 -1.26 -5.06 116.66 114.07 1a57 n ARG 10 Ca -0.01 -0.32 0.00 0.00 -1.93 0.00 0.00 57.85 55.59 1a57 n ARG 10 Cb 0.91 -0.28 0.00 0.00 -1.16 0.00 0.00 32.46 31.93 1a57 n ARG 10 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1a57 n ASN 11 N -3.30 0.00 -1.27 0.55 2.85 -1.26 -4.99 115.26 107.83 1a57 n ASN 11 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1a57 n ASN 11 Cb 0.10 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.12 1a57 n ASN 11 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1a57 n GLU 12 N 0.00 -2.80 -0.01 1.20 1.02 -1.26 -5.05 120.64 113.75 1a57 n GLU 12 Ca 0.00 2.23 -0.03 0.00 -0.02 0.00 0.00 57.16 59.33 1a57 n GLU 12 Cb 0.00 -2.13 -0.01 0.00 -0.02 0.00 0.00 31.44 29.28 1a57 n GLU 12 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1a57 n ASN 13 N 0.93 1.32 -3.45 1.62 2.85 -1.26 -5.08 115.26 112.20 1a57 n ASN 13 Ca 0.00 0.20 -0.11 0.00 -0.11 0.00 0.00 54.58 54.56 1a57 n ASN 13 Cb 0.00 -0.48 -0.02 0.00 1.24 0.00 0.00 39.78 40.52 1a57 n ASN 13 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1a57 s TYR 14 N -2.25 -0.50 -1.75 1.20 5.04 -1.26 -4.90 117.35 112.93 1a57 s TYR 14 Ca -0.11 0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 54.81 1a57 s TYR 14 Cb 0.02 0.56 0.00 0.00 0.35 0.00 0.00 41.96 42.89 1a57 s TYR 14 CO 0.16 -0.82 0.10 0.45 -1.34 0.00 0.00 175.55 174.10 1a57 n SER 15 N -0.37 -5.97 -0.05 4.32 2.88 -1.26 -4.88 113.62 108.30 1a57 n SER 15 Ca -0.15 -0.06 -0.04 0.00 -1.33 0.00 0.00 58.87 57.29 1a57 n SER 15 Cb 0.64 -4.94 -0.01 0.00 -0.75 0.00 0.00 64.21 59.15 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 -1.10 -0.74 0.00 0.46 0.00 -1.26 -5.07 105.19 97.48 1a57 n GLY 16 Ca -0.23 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.28 0.00 -3.65 4.61 0.00 -1.26 -5.14 120.51 111.79 1a57 n ALA 17 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.38 1a57 n ALA 17 Cb 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 1a57 n ALA 17 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1a57 s HIS 18 N 0.00 -0.07 0.15 0.00 0.09 -1.26 -5.18 115.29 109.03 1a57 s HIS 18 Ca 0.00 0.15 0.01 0.00 -0.00 0.00 0.00 55.06 55.22 1a57 s HIS 18 Cb 0.00 0.25 0.03 0.00 -0.00 0.00 0.00 32.58 32.86 1a57 s HIS 18 CO 0.00 -0.03 0.21 -0.40 -0.00 0.00 0.00 174.74 174.51 1a57 n ASP 19 N 2.38 0.39 0.00 1.40 5.75 -1.26 -5.13 116.55 120.08 1a57 n ASP 19 Ca -0.14 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 1a57 n ASP 19 Cb 0.57 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1a57 n ASP 19 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1a57 n ASN 20 N -2.92 0.00 -0.94 -1.12 4.13 -1.26 -5.13 115.26 108.03 1a57 n ASN 20 Ca 0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.30 1a57 n ASN 20 Cb 0.14 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 1a57 n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a57 n LEU 21 N 0.00 0.00 -3.65 3.41 -0.00 -1.26 -4.81 117.00 110.70 1a57 n LEU 21 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1a57 n LEU 21 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1a57 n LEU 21 CO 0.00 0.00 0.94 -1.59 -0.00 0.00 0.00 177.39 176.74 1a57 s LYS 22 N -1.79 0.20 0.26 1.47 -2.85 -1.26 -4.57 119.74 111.20 1a57 s LYS 22 Ca 0.00 0.29 0.02 0.00 -1.00 0.00 0.00 55.97 55.28 1a57 s LYS 22 Cb 0.00 0.07 -0.03 0.00 -2.06 0.00 0.00 37.83 35.80 1a57 s LYS 22 CO 0.00 -0.03 0.43 -0.51 0.10 0.00 0.00 175.35 175.33 1a57 s LEU 23 N 0.68 4.20 0.00 2.77 1.43 -1.14 -3.83 118.68 122.78 1a57 s LEU 23 Ca -0.02 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1a57 s LEU 23 Cb -0.04 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1a57 s LEU 23 CO -0.12 -0.13 0.00 0.41 0.23 0.00 0.00 176.35 176.74 1a57 n THR 24 N -1.28 0.00 -4.35 5.49 -1.04 -1.26 0.12 114.28 111.96 1a57 n THR 24 Ca -0.06 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.60 1a57 n THR 24 Cb 0.56 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.97 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 4.31 -0.35 12.58 1.09 -0.98 -3.45 121.20 134.40 1a57 s ILE 25 Ca 0.00 -0.24 -0.03 0.00 -1.10 0.00 0.00 60.65 59.28 1a57 s ILE 25 Cb 0.00 -2.83 0.25 0.00 -1.06 0.00 0.00 42.46 38.83 1a57 s ILE 25 CO 0.00 0.59 1.15 0.41 -0.10 0.00 0.00 174.94 176.99 1a57 n THR 26 N 2.36 0.00 0.00 2.92 -1.04 -1.26 -0.32 114.28 116.94 1a57 n THR 26 Ca -0.18 -0.62 0.00 0.00 -2.04 0.00 0.00 64.05 61.20 1a57 n THR 26 Cb 0.53 0.99 0.00 0.00 -1.82 0.00 0.00 70.33 70.03 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 1.86 0.00 0.00 -2.82 1.13 -1.26 -4.94 117.38 111.36 1a57 n GLN 27 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1a57 n GLN 27 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.03 1a57 n GLN 27 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1a57 n GLU 28 N 0.00 0.00 0.00 -1.09 0.00 -1.24 -4.94 120.64 113.37 1a57 n GLU 28 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.11 1a57 n GLU 28 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 31.44 31.18 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 0.00 1.88 0.12 -1.84 0.00 -1.26 -4.81 105.19 99.28 1a57 n GLY 29 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 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 0.11 1.44 -4.83 1.61 5.03 -1.26 -4.96 115.26 112.40 1a57 n ASN 30 Ca 0.00 -0.04 -0.25 0.00 0.87 0.00 0.00 54.58 55.16 1a57 n ASN 30 Cb 0.00 -0.09 -0.04 0.00 -1.02 0.00 0.00 39.78 38.64 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 -2.52 2.29 -0.41 3.52 1.02 -1.26 -3.60 119.74 118.78 1a57 s LYS 31 Ca -0.26 -1.89 0.03 0.00 0.02 0.00 0.00 55.97 53.86 1a57 s LYS 31 Cb 0.08 -2.07 0.26 0.00 -0.52 0.00 0.00 37.83 35.58 1a57 s LYS 31 CO 0.69 -0.34 1.08 1.97 -0.92 0.00 0.00 175.35 177.82 1a57 n PHE 32 N -1.51 -2.01 -1.68 3.18 -1.74 -1.25 -3.62 117.46 108.84 1a57 n PHE 32 Ca -0.02 -1.29 -0.48 0.00 -0.56 0.00 0.00 57.45 55.10 1a57 n PHE 32 Cb 0.64 1.36 -0.05 0.00 1.52 0.00 0.00 39.48 42.95 1a57 n PHE 32 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 1a57 n THR 33 N 1.43 0.39 -3.41 1.97 -1.04 -1.26 -4.82 114.28 107.54 1a57 n THR 33 Ca 0.05 -0.07 -0.37 0.00 -2.04 0.00 0.00 64.05 61.62 1a57 n THR 33 Cb 0.67 -1.75 -0.06 0.00 -1.82 0.00 0.00 70.33 67.37 1a57 n THR 33 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1a57 s VAL 34 N 3.05 4.91 -2.00 12.58 0.11 -1.20 -4.03 120.40 133.82 1a57 s VAL 34 Ca 0.88 0.85 0.24 0.00 -2.93 0.00 0.00 61.98 61.03 1a57 s VAL 34 Cb -0.70 -3.75 0.68 0.00 -1.53 0.00 0.00 36.38 31.09 1a57 s VAL 34 CO 0.47 0.40 1.85 1.17 -3.33 0.00 0.00 175.10 175.67 1a57 n LYS 35 N 1.26 0.88 -1.23 1.54 4.81 -1.22 -3.83 118.16 120.37 1a57 n LYS 35 Ca -0.09 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.02 1a57 n LYS 35 Cb 0.52 -1.42 -0.13 0.00 0.02 0.00 0.00 35.03 34.02 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 -0.92 0.00 -3.92 1.64 4.07 -1.25 -4.53 120.64 115.73 1a57 n GLU 36 Ca 0.18 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 57.06 1a57 n GLU 36 Cb 0.08 -1.21 -0.04 0.00 -0.06 0.00 0.00 31.44 30.21 1a57 n GLU 36 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1a57 s SER 37 N 6.96 5.16 0.04 4.31 0.15 -1.24 -4.58 113.70 124.51 1a57 s SER 37 Ca 1.12 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 57.24 1a57 s SER 37 Cb -1.02 -0.96 -0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1a57 s SER 37 CO 0.41 -0.30 0.03 -1.20 1.20 0.00 0.00 173.24 173.38 1a57 n SER 38 N -1.29 0.02 0.00 5.45 7.64 -0.26 -4.84 113.62 120.35 1a57 n SER 38 Ca -0.03 -1.27 0.12 0.00 1.01 0.00 0.00 58.87 58.70 1a57 n SER 38 Cb 0.60 0.20 0.56 0.00 -1.01 0.00 0.00 64.21 64.55 1a57 n SER 38 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1a57 n ASN 39 N -2.75 0.00 0.00 6.43 3.02 -1.26 -3.67 115.26 117.03 1a57 n ASN 39 Ca 0.01 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1a57 n ASN 39 Cb 0.07 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1a57 n ASN 39 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1a57 n PHE 40 N -1.39 0.00 -3.59 3.10 3.72 -1.26 -5.08 117.46 112.96 1a57 n PHE 40 Ca 0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.45 1a57 n PHE 40 Cb 0.23 -0.40 -0.00 0.00 -0.94 0.00 0.00 39.48 38.37 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 -1.78 0.19 0.21 -1.08 3.00 -1.24 -5.00 116.66 110.95 1a57 n ARG 41 Ca 0.00 -0.64 0.09 0.00 -0.01 0.00 0.00 57.85 57.29 1a57 n ARG 41 Cb 0.00 0.65 0.36 0.00 0.00 0.00 0.00 32.46 33.47 1a57 n ARG 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1a57 h ASN 42 N 0.47 0.00 -3.86 0.55 4.21 -1.91 -0.66 115.58 114.38 1a57 h ASN 42 Ca -0.07 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.28 1a57 h ASN 42 Cb 0.29 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.49 1a57 h ASN 42 CO 0.09 0.24 -0.50 0.00 -1.29 0.00 0.00 177.43 175.97 1a57 n ILE 43 N -3.31 -1.55 -2.48 2.81 0.13 -1.26 -3.71 119.36 109.99 1a57 n ILE 43 Ca 0.01 0.03 -0.43 0.00 -1.10 0.00 0.00 62.75 61.26 1a57 n ILE 43 Cb 0.49 -1.43 -0.02 0.00 -0.84 0.00 0.00 39.64 37.84 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 -0.59 6.99 -0.69 9.51 1.11 -1.26 -4.73 116.67 127.01 1a57 s ASP 44 Ca 0.16 1.63 -0.20 0.00 0.18 0.00 0.00 52.55 54.32 1a57 s ASP 44 Cb -0.02 -2.54 0.10 0.00 1.07 0.00 0.00 42.92 41.53 1a57 s ASP 44 CO 0.35 -0.72 0.89 -0.69 1.18 0.00 0.00 175.17 176.18 1a57 s VAL 45 N 3.31 4.61 0.21 -1.27 1.01 -1.25 -5.01 120.40 122.02 1a57 s VAL 45 Ca 0.52 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1a57 s VAL 45 Cb -0.20 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.52 1a57 s VAL 45 CO 0.13 -1.34 0.34 0.54 0.00 0.00 0.00 175.10 174.78 1a57 s VAL 46 N 3.20 5.28 0.00 2.92 0.11 -1.26 -3.25 120.40 127.39 1a57 s VAL 46 Ca 0.20 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1a57 s VAL 46 Cb -0.17 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 1a57 s VAL 46 CO 0.05 -0.26 0.00 2.22 -3.33 0.00 0.00 175.10 173.78 1a57 n PHE 47 N -1.14 -0.00 -3.13 1.54 1.16 -1.26 -5.04 117.46 109.59 1a57 n PHE 47 Ca -0.08 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.31 1a57 n PHE 47 Cb 0.56 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.41 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 0.90 0.00 3.97 1.02 -1.26 -3.78 120.64 121.49 1a57 n GLU 48 Ca 0.00 -3.13 0.00 0.00 -0.02 0.00 0.00 57.16 54.01 1a57 n GLU 48 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1a57 n GLU 48 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1a57 n LEU 49 N 0.64 0.00 -4.40 -4.62 4.77 -1.24 -3.82 117.00 108.33 1a57 n LEU 49 Ca 0.21 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.75 1a57 n LEU 49 Cb 0.63 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.71 1a57 n LEU 49 CO 0.18 0.00 1.02 -0.83 -1.33 0.00 0.00 177.39 176.43 1a57 s GLY 50 N 0.00 2.68 -0.26 -0.72 0.00 -1.26 -1.35 107.32 106.41 1a57 s GLY 50 Ca 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 44.72 41.23 1a57 s GLY 50 CO 0.00 1.70 0.45 0.14 0.00 0.00 0.00 173.10 175.39 1a57 s VAL 51 N 0.52 -0.73 0.46 1.40 1.01 -1.25 -5.06 120.40 116.76 1a57 s VAL 51 Ca 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 1a57 s VAL 51 Cb -0.06 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1a57 s VAL 51 CO -0.05 -0.07 0.69 -0.62 0.00 0.00 0.00 175.10 175.06 1a57 s ASP 52 N 2.65 5.92 -0.26 3.32 2.15 -1.26 -4.08 116.67 125.10 1a57 s ASP 52 Ca 0.13 0.43 -0.27 0.00 0.43 0.00 0.00 52.55 53.28 1a57 s ASP 52 Cb -0.15 -1.71 0.16 0.00 -0.30 0.00 0.00 42.92 40.92 1a57 s ASP 52 CO -0.17 -0.67 1.21 0.72 -0.17 0.00 0.00 175.17 176.09 1a57 s PHE 53 N -2.60 -0.25 -0.81 -5.34 -0.12 0.32 -4.93 117.98 104.25 1a57 s PHE 53 Ca 0.48 0.55 -0.15 0.00 -0.05 0.00 0.00 56.93 57.76 1a57 s PHE 53 Cb -0.10 0.44 0.20 0.00 -0.63 0.00 0.00 43.02 42.93 1a57 s PHE 53 CO 0.39 -0.15 0.79 0.00 -0.05 0.00 0.00 175.22 176.20 1a57 s ALA 54 N -0.31 3.95 0.04 1.99 0.00 -1.26 -1.59 121.76 124.58 1a57 s ALA 54 Ca 0.04 -3.17 0.02 0.00 0.00 0.00 0.00 51.96 48.85 1a57 s ALA 54 Cb -0.03 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1a57 s ALA 54 CO -0.08 -2.35 0.06 -0.47 0.00 0.00 0.00 175.76 172.92 1a57 s TYR 55 N 0.65 3.19 -0.61 0.00 5.04 -1.26 -4.98 117.35 119.38 1a57 s TYR 55 Ca 0.19 0.12 -0.06 0.00 -2.44 0.00 0.00 57.07 54.87 1a57 s TYR 55 Cb -0.11 -1.66 0.16 0.00 0.35 0.00 0.00 41.96 40.69 1a57 s TYR 55 CO -0.08 0.52 0.45 0.45 -1.34 0.00 0.00 175.55 175.55 1a57 s SER 56 N -2.03 5.56 0.00 4.32 0.15 -1.26 -3.38 113.70 117.07 1a57 s SER 56 Ca 0.25 -2.59 0.00 0.00 0.70 0.00 0.00 55.95 54.31 1a57 s SER 56 Cb -0.12 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 1a57 s SER 56 CO 0.17 -0.47 0.20 -0.11 1.20 0.00 0.00 173.24 174.23 1a57 n LEU 57 N 3.91 0.00 0.00 3.45 7.94 -0.94 -4.76 117.00 126.60 1a57 n LEU 57 Ca 0.05 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1a57 n LEU 57 Cb 0.40 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.35 1a57 n LEU 57 CO 0.35 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.63 1a57 n ALA 58 N -2.13 0.00 -0.07 1.96 0.00 -1.26 -4.86 120.51 114.14 1a57 n ALA 58 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1a57 n ALA 58 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1a57 n ALA 58 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1a57 h ASP 59 N 0.00 0.74 0.00 0.00 1.82 -2.04 -3.42 116.42 113.52 1a57 h ASP 59 Ca 0.00 -0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1a57 h ASP 59 Cb 0.00 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.81 1a57 h ASP 59 CO 0.00 0.93 0.00 0.61 -1.61 0.00 0.00 179.24 179.17 1a57 n GLY 60 N -0.29 0.24 3.10 -0.78 0.00 -1.26 -5.02 105.19 101.18 1a57 n GLY 60 Ca 0.00 0.00 -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 2.41 0.00 0.00 0.00 173.32 175.73 1a57 n THR 61 N -0.88 -2.90 -2.86 2.61 -1.04 -1.26 -3.44 114.28 104.51 1a57 n THR 61 Ca 0.00 0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.65 1a57 n THR 61 Cb 0.00 -2.64 -0.06 0.00 -1.82 0.00 0.00 70.33 65.81 1a57 n THR 61 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1a57 s GLU 62 N -2.45 4.72 -0.35 -2.82 -6.30 -1.26 -2.22 118.70 108.02 1a57 s GLU 62 Ca 0.24 1.33 0.13 0.00 -2.50 0.00 0.00 54.97 54.17 1a57 s GLU 62 Cb -0.02 -3.27 0.42 0.00 0.00 0.00 0.00 34.13 31.25 1a57 s GLU 62 CO 0.69 0.54 1.38 1.28 0.02 0.00 0.00 175.26 179.18 1a57 n LEU 63 N 1.56 -0.98 -4.37 2.70 4.32 -0.89 -2.58 117.00 116.75 1a57 n LEU 63 Ca -0.04 -3.32 -0.52 0.00 -0.02 0.00 0.00 56.01 52.12 1a57 n LEU 63 Cb 0.48 0.15 -0.11 0.00 -1.62 0.00 0.00 43.42 42.31 1a57 n LEU 63 CO 0.48 1.68 1.90 0.41 -1.22 0.00 0.00 177.39 180.64 1a57 n THR 64 N -0.99 0.03 -2.87 -5.08 -1.04 -1.21 -4.23 114.28 98.89 1a57 n THR 64 Ca -0.08 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1a57 n THR 64 Cb 0.85 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 1a57 n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a57 n GLY 65 N 6.97 1.35 3.41 3.41 0.00 -0.62 -3.89 105.19 115.82 1a57 n GLY 65 Ca 0.55 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.33 0.01 -0.39 2.61 -1.32 -1.26 0.12 115.64 113.09 1a57 s THR 66 Ca 0.00 -0.05 0.03 0.00 -1.21 0.00 0.00 61.69 60.46 1a57 s THR 66 Cb 0.00 -0.74 0.11 0.00 -1.51 0.00 0.00 72.50 70.36 1a57 s THR 66 CO 0.00 -0.03 0.12 0.26 -2.21 0.00 0.00 174.62 172.76 1a57 s TRP 67 N -0.04 3.22 -0.98 9.09 0.23 -1.23 -3.78 118.94 125.45 1a57 s TRP 67 Ca -0.03 -2.84 -0.03 0.00 -2.03 0.00 0.00 56.10 51.17 1a57 s TRP 67 Cb -0.03 -2.67 0.27 0.00 0.03 0.00 0.00 33.47 31.07 1a57 s TRP 67 CO 0.02 -0.88 1.09 -2.37 0.96 0.00 0.00 176.95 175.77 1a57 n THR 68 N 3.99 4.08 -1.51 2.01 5.66 -0.46 -3.68 114.28 124.38 1a57 n THR 68 Ca 0.04 -5.46 -0.40 0.00 -3.05 0.00 0.00 64.05 55.17 1a57 n THR 68 Cb 0.39 -2.30 -0.11 0.00 -1.55 0.00 0.00 70.33 66.76 1a57 n THR 68 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1a57 n MET 69 N 1.89 0.34 -0.10 1.09 1.56 -1.26 -4.56 117.12 116.08 1a57 n MET 69 Ca 0.25 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.59 1a57 n MET 69 Cb 0.37 -2.12 -0.01 0.00 2.15 0.00 0.00 33.22 33.61 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 14.30 0.45 0.00 2.12 4.22 -1.91 -3.47 114.58 130.30 1a57 h GLU 70 Ca -0.11 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.29 1a57 h GLU 70 Cb 1.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1a57 h GLU 70 CO 1.31 0.34 0.00 0.41 -2.18 0.00 0.00 179.01 178.88 1a57 n GLY 71 N -1.09 -2.10 0.39 1.92 0.00 -1.26 -4.90 105.19 98.15 1a57 n GLY 71 Ca -0.01 0.65 0.03 0.00 0.00 0.00 0.00 46.02 46.69 1a57 n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a57 n ASN 72 N -1.17 2.56 -4.67 1.61 0.23 -1.26 -5.00 115.26 107.56 1a57 n ASN 72 Ca 0.00 -2.00 -0.21 0.00 -0.53 0.00 0.00 54.58 51.84 1a57 n ASN 72 Cb 0.00 -0.14 0.03 0.00 -2.08 0.00 0.00 39.78 37.59 1a57 n ASN 72 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1a57 n LYS 73 N 0.12 0.69 -2.72 -3.83 5.02 -1.26 -2.17 118.16 114.02 1a57 n LYS 73 Ca 0.07 -3.05 -0.03 0.00 -2.02 0.00 0.00 58.31 53.28 1a57 n LYS 73 Cb 0.36 0.08 0.10 0.00 -0.02 0.00 0.00 35.03 35.54 1a57 n LYS 73 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a57 n LEU 74 N 0.00 -0.46 -4.77 -0.35 4.77 0.47 -3.92 117.00 112.74 1a57 n LEU 74 Ca 0.06 -3.27 -0.40 0.00 -0.03 0.00 0.00 56.01 52.36 1a57 n LEU 74 Cb 0.57 0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.84 1a57 n LEU 74 CO 0.35 1.56 0.91 -0.69 -1.33 0.00 0.00 177.39 178.19 1a57 s VAL 75 N -1.22 2.99 -0.79 4.08 1.01 -1.26 -4.00 120.40 121.20 1a57 s VAL 75 Ca 0.18 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1a57 s VAL 75 Cb 0.41 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1a57 s VAL 75 CO -0.08 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1a57 n GLY 76 N 0.93 -0.65 0.00 4.51 0.00 -1.26 -3.25 105.19 105.47 1a57 n GLY 76 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.38 1.61 4.81 -1.25 -4.69 118.16 114.26 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 0.00 2.02 -0.02 5.64 0.40 -1.25 -3.61 117.98 121.16 1a57 s PHE 78 Ca 0.00 -0.43 -0.29 0.00 -0.60 0.00 0.00 56.93 55.61 1a57 s PHE 78 Cb 0.00 -0.97 0.07 0.00 0.51 0.00 0.00 43.02 42.63 1a57 s PHE 78 CO 0.00 0.45 0.69 0.21 0.70 0.00 0.00 175.22 177.27 1a57 s LYS 79 N -2.99 1.07 -0.50 0.44 2.20 -1.25 0.63 119.74 119.33 1a57 s LYS 79 Ca 0.20 0.11 -0.11 0.00 -0.36 0.00 0.00 55.97 55.81 1a57 s LYS 79 Cb -0.06 0.50 0.13 0.00 -1.51 0.00 0.00 37.83 36.89 1a57 s LYS 79 CO 0.09 -0.36 0.39 -0.98 -0.36 0.00 0.00 175.35 174.13 1a57 s ARG 80 N -1.69 2.63 0.56 4.03 1.70 -1.07 -2.09 118.95 123.01 1a57 s ARG 80 Ca -0.08 -1.79 0.43 0.00 -0.47 0.00 0.00 55.73 53.82 1a57 s ARG 80 Cb -0.00 -4.02 1.59 0.00 -0.57 0.00 0.00 34.95 31.94 1a57 s ARG 80 CO 0.05 -1.23 1.64 0.28 -1.08 0.00 0.00 175.30 174.96 1a57 h VAL 81 N 6.03 0.16 -0.99 4.99 2.07 -1.97 0.42 116.25 126.96 1a57 h VAL 81 Ca -0.22 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.43 1a57 h VAL 81 Cb 1.08 0.17 -0.15 0.00 -1.52 0.00 0.00 31.29 30.87 1a57 h VAL 81 CO 0.90 0.00 -0.45 0.47 0.02 0.00 0.00 177.57 178.51 1a57 n ASP 82 N -3.94 -0.77 0.00 0.57 9.92 -1.26 -2.38 116.55 118.68 1a57 n ASP 82 Ca 0.34 1.73 0.00 0.00 -0.53 0.00 0.00 54.79 56.34 1a57 n ASP 82 Cb 1.65 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 41.79 1a57 n ASP 82 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1a57 n ASN 83 N -5.38 1.63 -2.85 -2.24 3.02 0.07 -4.98 115.26 104.53 1a57 n ASN 83 Ca 0.07 -1.75 -0.13 0.00 -0.03 0.00 0.00 54.58 52.74 1a57 n ASN 83 Cb 0.35 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.38 -0.21 0.03 7.41 0.00 -0.77 -4.97 105.19 106.31 1a57 n GLY 84 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1a57 n GLY 84 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1a57 h LYS 85 N -1.39 0.00 0.00 1.61 1.63 -1.83 -3.50 116.57 113.09 1a57 h LYS 85 Ca -0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1a57 h LYS 85 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1a57 h LYS 85 CO 0.38 0.00 0.00 -1.91 -3.45 0.00 0.00 179.45 174.47 1a57 n GLU 86 N -3.63 0.00 -1.90 1.90 2.13 -1.26 -4.49 120.64 113.39 1a57 n GLU 86 Ca -0.01 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.78 1a57 n GLU 86 Cb 0.04 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.78 1a57 n GLU 86 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1a57 n LEU 87 N -0.82 -0.72 -4.53 4.31 -0.00 0.20 -4.57 117.00 110.87 1a57 n LEU 87 Ca 0.00 -2.58 -0.57 0.00 -0.00 0.00 0.00 56.01 52.86 1a57 n LEU 87 Cb 0.00 0.08 -0.08 0.00 -0.00 0.00 0.00 43.42 43.42 1a57 n LEU 87 CO 0.00 1.43 1.55 -0.38 -0.00 0.00 0.00 177.39 180.00 1a57 n ILE 88 N -0.62 0.18 -2.07 1.47 5.41 -1.02 -4.46 119.36 118.25 1a57 n ILE 88 Ca -0.17 -0.10 -0.42 0.00 1.00 0.00 0.00 62.75 63.06 1a57 n ILE 88 Cb 0.83 -1.14 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 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 7.14 5.50 -1.73 -1.39 0.00 -1.25 0.20 120.51 128.98 1a57 n ALA 89 Ca 0.38 -4.13 -0.42 0.00 0.00 0.00 0.00 53.44 49.26 1a57 n ALA 89 Cb 0.11 -3.20 -0.03 0.00 0.00 0.00 0.00 19.45 16.33 1a57 n ALA 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a57 s VAL 90 N 1.48 2.35 0.17 0.00 1.01 0.34 -4.42 120.40 121.32 1a57 s VAL 90 Ca 0.43 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.26 1a57 s VAL 90 Cb 0.12 -3.04 0.05 0.00 0.00 0.00 0.00 36.38 33.51 1a57 s VAL 90 CO -0.04 0.00 0.56 -0.60 0.00 0.00 0.00 175.10 175.03 1a57 s ARG 91 N 2.08 1.31 -0.23 2.72 3.52 -1.26 -2.01 118.95 125.09 1a57 s ARG 91 Ca 0.78 -0.63 -0.28 0.00 -0.13 0.00 0.00 55.73 55.47 1a57 s ARG 91 Cb -0.47 0.56 0.15 0.00 -1.56 0.00 0.00 34.95 33.62 1a57 s ARG 91 CO 0.34 -0.56 1.13 -1.83 -0.81 0.00 0.00 175.30 173.57 1a57 s GLU 92 N -3.80 0.41 -0.28 5.12 4.04 -1.26 0.18 118.70 123.11 1a57 s GLU 92 Ca 0.04 0.23 -0.33 0.00 0.04 0.00 0.00 54.97 54.95 1a57 s GLU 92 Cb -0.01 0.19 -0.10 0.00 0.02 0.00 0.00 34.13 34.24 1a57 s GLU 92 CO -0.09 -0.10 2.15 -0.89 -1.84 0.00 0.00 175.26 174.49 1a57 n ILE 93 N 1.20 0.28 0.13 1.83 2.08 -0.92 -4.31 119.36 119.65 1a57 n ILE 93 Ca -0.09 -0.29 -0.15 0.00 0.56 0.00 0.00 62.75 62.79 1a57 n ILE 93 Cb 0.57 -1.90 -0.09 0.00 -0.75 0.00 0.00 39.64 37.48 1a57 n ILE 93 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1a57 h SER 94 N 12.57 -1.34 0.00 4.38 0.87 -0.85 -3.47 113.55 125.72 1a57 h SER 94 Ca -0.34 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1a57 h SER 94 Cb 1.29 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 1a57 h SER 94 CO 0.99 -0.50 0.00 0.61 -0.53 0.00 0.00 176.83 177.40 1a57 n GLY 95 N -1.43 0.23 2.11 5.77 0.00 -1.26 -4.92 105.19 105.69 1a57 n GLY 95 Ca -0.08 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 4.62 -3.80 1.61 2.85 -1.26 -4.91 115.26 114.37 1a57 n ASN 96 Ca 0.00 -3.69 0.04 0.00 -0.11 0.00 0.00 54.58 50.83 1a57 n ASN 96 Cb 0.00 -0.83 0.01 0.00 1.24 0.00 0.00 39.78 40.19 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 -3.44 0.02 0.22 1.20 4.04 -1.26 -4.52 118.70 114.95 1a57 s GLU 97 Ca 0.57 -0.01 0.08 0.00 0.04 0.00 0.00 54.97 55.65 1a57 s GLU 97 Cb 0.48 0.01 -0.04 0.00 0.02 0.00 0.00 34.13 34.59 1a57 s GLU 97 CO 0.06 -0.01 0.07 -1.17 -1.84 0.00 0.00 175.26 172.37 1a57 s LEU 98 N -3.50 3.48 0.03 1.83 0.20 -1.26 -0.15 118.68 119.31 1a57 s LEU 98 Ca 0.24 -0.39 -0.02 0.00 0.69 0.00 0.00 54.13 54.65 1a57 s LEU 98 Cb 0.04 -2.06 -0.01 0.00 -0.43 0.00 0.00 46.19 43.73 1a57 s LEU 98 CO -0.05 0.03 -0.05 -0.38 -0.29 0.00 0.00 176.35 175.61 1a57 n ILE 99 N -0.63 0.91 0.00 6.68 -0.00 -1.26 -2.56 119.36 122.49 1a57 n ILE 99 Ca -0.08 0.28 0.00 0.00 -0.00 0.00 0.00 62.75 62.95 1a57 n ILE 99 Cb 0.57 -1.55 0.00 0.00 -0.00 0.00 0.00 39.64 38.66 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 -3.33 0.00 -3.51 0.38 6.02 -1.26 -3.74 117.38 111.93 1a57 n GLN 100 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.71 1a57 n GLN 100 Cb 0.07 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.19 1a57 n GLN 100 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1a57 s THR 101 N -1.26 -0.16 -0.79 5.09 2.01 -0.85 -1.96 115.64 117.72 1a57 s THR 101 Ca 0.00 -0.63 -0.21 0.00 0.31 0.00 0.00 61.69 61.17 1a57 s THR 101 Cb 0.00 -0.94 0.10 0.00 0.01 0.00 0.00 72.50 71.67 1a57 s THR 101 CO 0.00 -0.61 1.05 -0.31 -0.69 0.00 0.00 174.62 174.05 1a57 s TYR 102 N 2.17 2.86 0.01 4.92 2.02 -1.19 0.13 117.35 128.27 1a57 s TYR 102 Ca 0.08 -0.93 -0.30 0.00 -0.37 0.00 0.00 57.07 55.56 1a57 s TYR 102 Cb -0.15 -4.30 -0.08 0.00 -0.40 0.00 0.00 41.96 37.03 1a57 s TYR 102 CO -0.33 -1.59 1.87 0.99 -1.57 0.00 0.00 175.55 174.92 1a57 s THR 103 N 3.49 3.19 -0.30 -0.71 2.01 0.53 -3.50 115.64 120.35 1a57 s THR 103 Ca 0.27 0.24 -0.15 0.00 0.31 0.00 0.00 61.69 62.36 1a57 s THR 103 Cb -0.11 -3.15 0.17 0.00 0.01 0.00 0.00 72.50 69.41 1a57 s THR 103 CO 0.01 -0.02 0.99 -0.47 -0.69 0.00 0.00 174.62 174.44 1a57 s TYR 104 N 4.32 -0.67 0.00 4.92 5.04 -1.26 -2.42 117.35 127.28 1a57 s TYR 104 Ca 0.84 1.14 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 1a57 s TYR 104 Cb -0.40 0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.31 1a57 s TYR 104 CO 0.38 -0.33 0.00 0.39 -1.34 0.00 0.00 175.55 174.64 1a57 n GLU 105 N 4.98 0.00 0.28 4.97 1.02 -1.26 -0.17 120.64 130.46 1a57 n GLU 105 Ca -0.09 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.24 1a57 n GLU 105 Cb 0.53 0.00 1.01 0.00 -0.02 0.00 0.00 31.44 32.95 1a57 n GLU 105 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1a57 h GLY 106 N 0.00 0.00 -2.28 0.62 0.00 -1.97 -3.47 103.07 95.97 1a57 h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a57 h GLY 106 CO 0.00 0.00 -0.59 -0.62 0.00 0.00 0.00 176.54 175.33 1a57 n VAL 107 N -2.85 -1.89 -3.32 4.60 0.31 0.76 -4.96 118.33 110.98 1a57 n VAL 107 Ca -0.02 0.92 -0.30 0.00 -0.01 0.00 0.00 64.34 64.93 1a57 n VAL 107 Cb 0.08 -1.51 0.03 0.00 -0.91 0.00 0.00 33.84 31.53 1a57 n VAL 107 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a57 n GLU 108 N -2.10 -2.06 -3.59 5.55 1.02 -1.26 -4.78 120.64 113.41 1a57 n GLU 108 Ca 0.00 1.63 -0.29 0.00 -0.02 0.00 0.00 57.16 58.48 1a57 n GLU 108 Cb 0.28 -3.14 -0.09 0.00 -0.02 0.00 0.00 31.44 28.47 1a57 n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a57 n ALA 109 N -0.25 3.88 -2.06 0.62 0.00 -1.23 -4.99 120.51 116.49 1a57 n ALA 109 Ca -0.03 -4.68 -0.31 0.00 0.00 0.00 0.00 53.44 48.42 1a57 n ALA 109 Cb 0.62 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 1a57 n ALA 109 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a57 s LYS 110 N -2.04 3.92 0.52 0.00 1.02 -1.26 -3.16 119.74 118.74 1a57 s LYS 110 Ca 0.33 0.69 0.00 0.00 0.02 0.00 0.00 55.97 57.01 1a57 s LYS 110 Cb 0.05 -2.32 -0.00 0.00 -0.52 0.00 0.00 37.83 35.04 1a57 s LYS 110 CO -0.07 -0.05 0.01 -2.13 -0.92 0.00 0.00 175.35 172.19 1a57 n ARG 111 N -1.08 0.73 -3.81 1.68 3.00 -0.83 -5.00 116.66 111.35 1a57 n ARG 111 Ca 0.04 -3.80 -0.29 0.00 -0.00 0.00 0.00 57.85 53.80 1a57 n ARG 111 Cb 0.54 1.07 -0.16 0.00 0.00 0.00 0.00 32.46 33.91 1a57 n ARG 111 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1a57 s ILE 112 N -2.90 0.93 0.53 5.15 1.09 -1.26 -4.43 121.20 120.30 1a57 s ILE 112 Ca 0.01 -0.92 0.00 0.00 -1.10 0.00 0.00 60.65 58.65 1a57 s ILE 112 Cb 0.00 -1.40 -0.00 0.00 -1.06 0.00 0.00 42.46 40.00 1a57 s ILE 112 CO 0.01 -0.25 0.01 -0.36 -0.10 0.00 0.00 174.94 174.26 1a57 s PHE 113 N 1.66 1.76 -0.30 3.97 0.08 -1.06 -5.05 117.98 119.03 1a57 s PHE 113 Ca -0.01 -0.99 -0.18 0.00 0.12 0.00 0.00 56.93 55.87 1a57 s PHE 113 Cb -0.18 -1.60 0.21 0.00 -0.57 0.00 0.00 43.02 40.89 1a57 s PHE 113 CO -0.10 0.18 1.30 -1.59 -0.10 0.00 0.00 175.22 174.91 1a57 s LYS 114 N -3.92 0.01 0.18 0.44 0.00 -1.26 -4.06 119.74 111.14 1a57 s LYS 114 Ca 0.02 0.02 -0.22 0.00 0.00 0.00 0.00 55.97 55.79 1a57 s LYS 114 Cb 0.00 0.01 0.08 0.00 0.00 0.00 0.00 37.83 37.92 1a57 s LYS 114 CO 0.01 -0.00 1.40 1.17 0.00 0.00 0.00 175.35 177.93 1a57 n LYS 115 N 3.61 -0.31 0.00 1.78 4.81 -1.26 -0.58 118.16 126.21 1a57 n LYS 115 Ca -0.13 1.38 0.00 0.00 -0.87 0.00 0.00 58.31 58.69 1a57 n LYS 115 Cb 0.56 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.57 1a57 n LYS 115 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66