#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 -1.73 -2.58 0.00 3.72 -1.26 -4.87 117.46 110.74 1a57 n PHE 2 Ca 0.00 0.36 -0.14 0.00 -0.05 0.00 0.00 57.45 57.62 1a57 n PHE 2 Cb 0.00 -3.44 0.02 0.00 -0.94 0.00 0.00 39.48 35.13 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 -2.25 2.70 -1.45 4.37 5.68 -1.20 -3.12 116.55 121.27 1a57 n ASP 3 Ca -0.08 -2.99 0.00 0.00 -0.50 0.00 0.00 54.79 51.21 1a57 n ASP 3 Cb 0.59 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 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 -0.31 0.77 1.79 6.12 0.00 0.21 -4.91 105.19 108.86 1a57 n GLY 4 Ca 0.20 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.15 0.00 -3.64 2.61 -2.24 -1.26 -2.41 114.28 107.20 1a57 n THR 5 Ca 0.00 -0.52 -0.05 0.00 -2.27 0.00 0.00 64.05 61.21 1a57 n THR 5 Cb 0.10 -1.63 -0.07 0.00 -2.10 0.00 0.00 70.33 66.63 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 -2.11 -0.99 0.12 4.78 0.52 -0.17 -4.41 118.94 116.68 1a57 s TRP 6 Ca 0.34 1.95 0.00 0.00 0.02 0.00 0.00 56.10 58.41 1a57 s TRP 6 Cb -0.01 0.59 0.00 0.00 -1.15 0.00 0.00 33.47 32.90 1a57 s TRP 6 CO 0.24 -0.49 0.00 1.63 0.02 0.00 0.00 176.95 178.34 1a57 n LYS 7 N 4.33 -0.92 -0.94 4.98 5.02 -1.18 0.87 118.16 130.32 1a57 n LYS 7 Ca -0.19 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1a57 n LYS 7 Cb 0.58 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 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 -2.28 0.00 -3.50 -0.18 0.31 -1.26 -4.61 118.33 106.81 1a57 n VAL 8 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1a57 n VAL 8 Cb 0.21 -0.38 -0.00 0.00 -0.91 0.00 0.00 33.84 32.76 1a57 n VAL 8 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1a57 n ASP 9 N 1.19 -0.22 -4.55 4.52 9.92 -1.26 -4.99 116.55 121.15 1a57 n ASP 9 Ca 0.00 -1.25 -0.39 0.00 -0.53 0.00 0.00 54.79 52.62 1a57 n ASP 9 Cb 0.00 0.39 -0.03 0.00 -0.64 0.00 0.00 41.12 40.84 1a57 n ASP 9 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1a57 s ARG 10 N -2.08 3.12 0.00 -1.24 6.06 -1.26 -4.66 118.95 118.89 1a57 s ARG 10 Ca 0.04 -0.32 0.00 0.00 -2.50 0.00 0.00 55.73 52.95 1a57 s ARG 10 Cb -0.00 -4.63 0.00 0.00 0.06 0.00 0.00 34.95 30.38 1a57 s ARG 10 CO 0.03 -2.41 0.00 0.09 -2.50 0.00 0.00 175.30 170.51 1a57 n ASN 11 N 10.38 4.48 0.00 -2.12 4.13 -1.26 -5.05 115.26 125.82 1a57 n ASN 11 Ca 0.18 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.41 1a57 n ASN 11 Cb 0.50 0.95 0.00 0.00 -1.54 0.00 0.00 39.78 39.69 1a57 n ASN 11 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1a57 n GLU 12 N -1.40 0.00 0.00 3.52 -0.58 -1.26 -4.79 120.64 116.12 1a57 n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1a57 n GLU 12 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1a57 n GLU 12 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1a57 n ASN 13 N 5.18 0.00 -3.36 1.62 4.13 -1.26 -2.91 115.26 118.67 1a57 n ASN 13 Ca 0.00 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.11 1a57 n ASN 13 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 1a57 n ASN 13 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1a57 s TYR 14 N 0.00 -0.54 -0.01 3.10 1.13 -1.26 -5.13 117.35 114.64 1a57 s TYR 14 Ca 0.00 -0.34 -0.28 0.00 -1.41 0.00 0.00 57.07 55.04 1a57 s TYR 14 Cb 0.00 -0.36 0.10 0.00 -1.10 0.00 0.00 41.96 40.60 1a57 s TYR 14 CO 0.00 -0.96 0.83 -1.54 -2.51 0.00 0.00 175.55 171.36 1a57 s SER 15 N 1.99 -0.44 0.00 -0.18 1.04 -1.14 -5.07 113.70 109.90 1a57 s SER 15 Ca 0.13 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1a57 s SER 15 Cb -0.14 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1a57 s SER 15 CO -0.19 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1a57 n GLY 16 N 0.06 -0.75 0.00 7.32 0.00 -1.26 -5.01 105.19 105.55 1a57 n GLY 16 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.65 -2.93 4.61 0.00 -1.26 -5.06 120.51 116.52 1a57 n ALA 17 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1a57 n ALA 17 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1a57 n ALA 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a57 n HIS 18 N -0.36 -1.76 -3.26 0.00 8.25 -1.26 -5.03 115.22 111.80 1a57 n HIS 18 Ca 0.00 -2.73 -0.24 0.00 -0.26 0.00 0.00 57.72 54.49 1a57 n HIS 18 Cb 0.00 0.76 -0.08 0.00 1.12 0.00 0.00 29.99 31.79 1a57 n HIS 18 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1a57 n ASP 19 N 0.75 -0.52 -0.31 0.41 5.68 -1.26 -4.90 116.55 116.40 1a57 n ASP 19 Ca 0.14 -2.54 0.08 0.00 -0.50 0.00 0.00 54.79 51.97 1a57 n ASP 19 Cb 0.65 -0.37 0.15 0.00 -1.14 0.00 0.00 41.12 40.41 1a57 n ASP 19 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1a57 n ASN 20 N 2.31 1.93 -4.78 -1.12 2.85 -1.26 -4.97 115.26 110.23 1a57 n ASN 20 Ca 0.26 -3.22 -0.33 0.00 -0.11 0.00 0.00 54.58 51.17 1a57 n ASN 20 Cb 0.51 -0.44 0.03 0.00 1.24 0.00 0.00 39.78 41.12 1a57 n ASN 20 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 1a57 s LEU 21 N -2.67 3.51 -0.13 1.20 0.05 -1.26 -5.01 118.68 114.36 1a57 s LEU 21 Ca 0.32 2.00 -0.17 0.00 0.05 0.00 0.00 54.13 56.33 1a57 s LEU 21 Cb 0.29 -4.55 0.04 0.00 -2.05 0.00 0.00 46.19 39.92 1a57 s LEU 21 CO -0.01 -1.42 0.45 -1.59 -0.55 0.00 0.00 176.35 173.24 1a57 s LYS 22 N -3.87 0.61 0.52 1.48 -2.85 -1.26 -4.44 119.74 109.93 1a57 s LYS 22 Ca 0.68 0.46 0.09 0.00 -1.00 0.00 0.00 55.97 56.19 1a57 s LYS 22 Cb -0.20 0.29 0.06 0.00 -2.06 0.00 0.00 37.83 35.91 1a57 s LYS 22 CO 0.36 -0.11 0.68 -0.51 0.10 0.00 0.00 175.35 175.88 1a57 s LEU 23 N -0.16 3.22 0.00 2.77 1.43 0.25 -3.99 118.68 122.20 1a57 s LEU 23 Ca -0.03 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1a57 s LEU 23 Cb -0.03 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1a57 s LEU 23 CO 0.02 -1.14 0.00 0.41 0.23 0.00 0.00 176.35 175.87 1a57 n THR 24 N -2.07 0.00 -3.90 5.49 -1.04 -1.26 -1.00 114.28 110.50 1a57 n THR 24 Ca 0.12 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.82 1a57 n THR 24 Cb 0.61 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.08 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 5.36 -0.40 12.58 1.09 -1.01 -3.89 121.20 134.94 1a57 s ILE 25 Ca 0.00 -0.36 -0.01 0.00 -1.10 0.00 0.00 60.65 59.18 1a57 s ILE 25 Cb 0.00 -3.63 0.23 0.00 -1.06 0.00 0.00 42.46 38.00 1a57 s ILE 25 CO 0.00 0.12 1.04 0.41 -0.10 0.00 0.00 174.94 176.41 1a57 n THR 26 N 0.23 0.00 -1.61 2.92 -1.04 -1.18 -0.62 114.28 112.98 1a57 n THR 26 Ca -0.05 -0.68 -0.43 0.00 -2.04 0.00 0.00 64.05 60.85 1a57 n THR 26 Cb 0.51 0.95 -0.00 0.00 -1.82 0.00 0.00 70.33 69.97 1a57 n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a57 n GLN 27 N 2.21 1.45 -3.92 -2.82 0.00 -1.24 -4.80 117.38 108.25 1a57 n GLN 27 Ca 0.10 0.51 -0.34 0.00 0.00 0.00 0.00 57.00 57.27 1a57 n GLN 27 Cb 0.65 -1.97 -0.14 0.00 0.00 0.00 0.00 30.24 28.78 1a57 n GLN 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1a57 s GLU 28 N -1.76 1.98 7.75 2.61 1.03 0.02 -4.94 118.70 125.41 1a57 s GLU 28 Ca 0.60 -1.63 0.00 0.00 0.03 0.00 0.00 54.97 53.96 1a57 s GLU 28 Cb -0.63 -3.27 0.00 0.00 -0.80 0.00 0.00 34.13 29.43 1a57 s GLU 28 CO 0.59 -0.85 0.00 0.41 -1.33 0.00 0.00 175.26 174.08 1a57 n GLY 29 N 4.47 2.34 0.53 -3.83 0.00 -1.26 -0.80 105.19 106.64 1a57 n GLY 29 Ca -0.05 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.63 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 8.66 2.32 -4.77 1.61 4.13 -1.26 -4.93 115.26 121.01 1a57 n ASN 30 Ca 0.00 -1.67 -0.39 0.00 1.68 0.00 0.00 54.58 54.20 1a57 n ASN 30 Cb 0.00 -0.09 -0.06 0.00 -1.54 0.00 0.00 39.78 38.09 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1a57 s LYS 31 N -0.97 4.70 -0.28 3.52 1.02 0.02 -0.57 119.74 127.18 1a57 s LYS 31 Ca 0.17 1.34 0.00 0.00 0.02 0.00 0.00 55.97 57.50 1a57 s LYS 31 Cb 0.11 -3.16 0.14 0.00 -0.52 0.00 0.00 37.83 34.40 1a57 s LYS 31 CO 0.15 0.48 0.33 0.12 -0.92 0.00 0.00 175.35 175.51 1a57 s PHE 32 N -1.28 -0.65 -0.05 3.18 2.19 -1.16 -0.80 117.98 119.42 1a57 s PHE 32 Ca 0.42 0.07 -0.04 0.00 0.33 0.00 0.00 56.93 57.71 1a57 s PHE 32 Cb -0.23 -0.33 -0.04 0.00 -1.31 0.00 0.00 43.02 41.11 1a57 s PHE 32 CO 0.28 -0.91 0.14 0.99 1.83 0.00 0.00 175.22 177.55 1a57 s THR 33 N 2.43 5.27 0.09 0.12 2.01 -1.26 -4.27 115.64 120.03 1a57 s THR 33 Ca 0.10 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.06 1a57 s THR 33 Cb -0.14 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1a57 s THR 33 CO -0.30 0.43 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.30 1a57 s VAL 34 N -1.19 3.55 -0.28 3.82 1.01 -0.93 -3.70 120.40 122.68 1a57 s VAL 34 Ca 0.22 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1a57 s VAL 34 Cb -0.12 -2.66 0.06 0.00 0.00 0.00 0.00 36.38 33.66 1a57 s VAL 34 CO 0.13 0.14 2.53 1.17 0.00 0.00 0.00 175.10 179.06 1a57 n LYS 35 N 0.73 1.95 -1.57 2.72 4.81 -1.25 -3.09 118.16 122.46 1a57 n LYS 35 Ca -0.13 -1.56 -0.13 0.00 -0.87 0.00 0.00 58.31 55.61 1a57 n LYS 35 Cb 0.52 -1.79 -0.09 0.00 0.02 0.00 0.00 35.03 33.69 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 1.00 0.34 -3.43 1.64 -0.58 -1.26 -4.28 120.64 114.07 1a57 n GLU 36 Ca 0.35 -1.23 -0.40 0.00 -0.42 0.00 0.00 57.16 55.46 1a57 n GLU 36 Cb 0.61 -3.79 -0.10 0.00 -0.57 0.00 0.00 31.44 27.60 1a57 n GLU 36 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1a57 s SER 37 N 9.75 6.17 0.00 1.62 0.15 -1.24 -4.20 113.70 125.96 1a57 s SER 37 Ca 0.88 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1a57 s SER 37 Cb -0.10 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1a57 s SER 37 CO 0.13 -0.24 0.00 -0.24 1.20 0.00 0.00 173.24 174.09 1a57 n SER 38 N 5.31 0.32 0.05 5.45 2.88 -0.34 -4.35 113.62 122.94 1a57 n SER 38 Ca -0.10 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.24 1a57 n SER 38 Cb 0.50 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.83 1a57 n SER 38 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1a57 h ASN 39 N 0.00 0.58 -0.20 -3.46 -1.24 -1.97 -3.34 115.58 105.94 1a57 h ASN 39 Ca 0.00 -0.87 0.02 0.00 0.71 0.00 0.00 56.30 56.16 1a57 h ASN 39 Cb 0.00 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.83 1a57 h ASN 39 CO 0.00 1.40 -0.26 -0.26 -1.29 0.00 0.00 177.43 177.01 1a57 h PHE 40 N -0.16 -0.80 -1.18 0.67 0.04 -2.01 -3.47 116.94 110.03 1a57 h PHE 40 Ca -0.14 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1a57 h PHE 40 Cb 1.62 0.38 0.00 0.00 2.20 0.00 0.00 35.95 40.15 1a57 h PHE 40 CO 0.17 -0.23 0.00 0.54 -0.60 0.00 0.00 178.31 178.19 1a57 n ARG 41 N -3.96 0.00 0.14 1.51 3.00 -1.26 -4.97 116.66 111.12 1a57 n ARG 41 Ca -0.02 0.00 0.13 0.00 -0.01 0.00 0.00 57.85 57.95 1a57 n ARG 41 Cb 0.16 0.00 0.37 0.00 0.00 0.00 0.00 32.46 32.98 1a57 n ARG 41 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1a57 h ASN 42 N 0.00 0.00 -3.14 0.55 -1.24 -1.88 -0.89 115.58 108.99 1a57 h ASN 42 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1a57 h ASN 42 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1a57 h ASN 42 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 1a57 n ILE 43 N -2.47 0.00 -1.69 2.57 3.06 -1.26 -3.60 119.36 115.97 1a57 n ILE 43 Ca 0.05 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.93 1a57 n ILE 43 Cb 0.44 0.00 0.07 0.00 0.54 0.00 0.00 39.64 40.69 1a57 n ILE 43 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1a57 n ASP 44 N 0.33 2.01 -4.42 9.51 5.68 -1.26 -4.71 116.55 123.69 1a57 n ASP 44 Ca 0.00 0.82 -0.38 0.00 -0.50 0.00 0.00 54.79 54.72 1a57 n ASP 44 Cb 0.00 -1.55 -0.12 0.00 -1.14 0.00 0.00 41.12 38.31 1a57 n ASP 44 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1a57 s VAL 45 N -1.43 4.49 0.18 2.12 0.11 -1.18 -5.00 120.40 119.69 1a57 s VAL 45 Ca 0.82 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 59.42 1a57 s VAL 45 Cb -0.38 -3.31 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 1a57 s VAL 45 CO 0.41 0.04 -0.08 0.54 -3.33 0.00 0.00 175.10 172.69 1a57 s VAL 46 N 1.59 1.18 -0.73 2.04 0.11 -1.26 -2.19 120.40 121.14 1a57 s VAL 46 Ca 0.04 -2.07 0.00 0.00 -2.93 0.00 0.00 61.98 57.02 1a57 s VAL 46 Cb -0.17 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 1a57 s VAL 46 CO 0.06 -0.61 0.00 2.22 -3.33 0.00 0.00 175.10 173.44 1a57 n PHE 47 N -0.28 0.00 -3.76 1.54 1.16 -1.26 -5.05 117.46 109.82 1a57 n PHE 47 Ca -0.09 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.21 1a57 n PHE 47 Cb 0.62 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.37 1a57 n PHE 47 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1a57 s GLU 48 N -0.29 1.87 0.00 3.97 8.01 -1.26 -2.99 118.70 128.01 1a57 s GLU 48 Ca 0.00 -2.77 0.00 0.00 0.01 0.00 0.00 54.97 52.21 1a57 s GLU 48 Cb 0.00 -2.77 0.00 0.00 -4.31 0.00 0.00 34.13 27.05 1a57 s GLU 48 CO 0.00 -1.27 0.00 -0.11 0.01 0.00 0.00 175.26 173.89 1a57 n LEU 49 N 2.54 0.00 -0.06 1.80 7.94 0.27 -3.46 117.00 126.04 1a57 n LEU 49 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1a57 n LEU 49 Cb 0.38 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.33 1a57 n LEU 49 CO 0.23 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 1a57 n GLY 50 N 0.00 1.27 2.80 -3.96 0.00 0.18 -4.97 105.19 100.51 1a57 n GLY 50 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1a57 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a57 s VAL 51 N -2.11 0.70 0.53 1.61 1.01 -1.22 -5.02 120.40 115.89 1a57 s VAL 51 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1a57 s VAL 51 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1a57 s VAL 51 CO 0.00 0.05 0.89 1.51 0.00 0.00 0.00 175.10 177.55 1a57 s ASP 52 N 1.81 6.29 -0.06 3.32 1.47 -1.26 -3.81 116.67 124.43 1a57 s ASP 52 Ca 0.01 1.18 -0.31 0.00 1.18 0.00 0.00 52.55 54.61 1a57 s ASP 52 Cb -0.15 -2.36 0.12 0.00 -0.34 0.00 0.00 42.92 40.19 1a57 s ASP 52 CO -0.07 -0.68 1.15 0.72 0.68 0.00 0.00 175.17 176.96 1a57 s PHE 53 N -2.88 -0.14 -0.58 2.11 -0.71 -0.19 -4.95 117.98 110.64 1a57 s PHE 53 Ca 0.51 0.02 0.04 0.00 -1.04 0.00 0.00 56.93 56.47 1a57 s PHE 53 Cb -0.11 0.55 0.17 0.00 -1.21 0.00 0.00 43.02 42.42 1a57 s PHE 53 CO 0.47 -0.37 0.42 0.00 -1.34 0.00 0.00 175.22 174.40 1a57 s ALA 54 N -2.65 2.83 -0.22 1.99 0.00 -1.26 -0.03 121.76 122.42 1a57 s ALA 54 Ca 0.10 -3.25 -0.09 0.00 0.00 0.00 0.00 51.96 48.73 1a57 s ALA 54 Cb 0.01 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1a57 s ALA 54 CO -0.04 -2.05 0.11 -0.47 0.00 0.00 0.00 175.76 173.30 1a57 s TYR 55 N -0.78 3.25 0.86 0.00 5.04 -1.26 -4.93 117.35 119.53 1a57 s TYR 55 Ca 0.27 0.06 -0.13 0.00 -2.44 0.00 0.00 57.07 54.83 1a57 s TYR 55 Cb -0.03 -2.19 0.11 0.00 0.35 0.00 0.00 41.96 40.21 1a57 s TYR 55 CO -0.17 0.03 1.19 0.45 -1.34 0.00 0.00 175.55 175.72 1a57 s SER 56 N 0.87 4.03 0.37 4.32 0.15 -1.26 -2.58 113.70 119.59 1a57 s SER 56 Ca 0.05 0.73 -0.05 0.00 0.70 0.00 0.00 55.95 57.38 1a57 s SER 56 Cb -0.13 -1.15 0.02 0.00 -1.71 0.00 0.00 66.02 63.04 1a57 s SER 56 CO 0.03 -2.20 0.57 -0.76 1.20 0.00 0.00 173.24 172.07 1a57 s LEU 57 N -5.74 0.80 0.00 3.45 1.43 -1.26 -4.77 118.68 112.60 1a57 s LEU 57 Ca 0.64 -1.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 1a57 s LEU 57 Cb -0.10 1.84 0.00 0.00 0.03 0.00 0.00 46.19 47.96 1a57 s LEU 57 CO 0.51 -1.43 0.00 0.00 0.23 0.00 0.00 176.35 175.65 1a57 n ALA 58 N -0.58 0.00 -2.15 4.21 0.00 -1.26 -0.81 120.51 119.92 1a57 n ALA 58 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1a57 n ALA 58 Cb 0.61 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.12 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 2.72 1.01 0.00 0.00 -0.08 -1.26 -4.97 116.55 113.97 1a57 n ASP 59 Ca 0.00 -2.40 0.00 0.00 -1.51 0.00 0.00 54.79 50.88 1a57 n ASP 59 Cb 0.00 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.13 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1a57 n GLY 60 N -0.01 0.60 0.29 0.27 0.00 0.01 -5.08 105.19 101.28 1a57 n GLY 60 Ca 0.08 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 1a57 n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a57 n THR 61 N 0.00 1.15 -3.42 2.61 -2.24 -1.13 -4.95 114.28 106.32 1a57 n THR 61 Ca 0.00 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 1a57 n THR 61 Cb 0.00 -1.66 0.06 0.00 -2.10 0.00 0.00 70.33 66.63 1a57 n THR 61 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1a57 n GLU 62 N -3.76 -2.66 -2.45 -0.78 2.13 -1.26 -4.12 120.64 107.74 1a57 n GLU 62 Ca -0.40 0.74 -0.43 0.00 0.66 0.00 0.00 57.16 57.73 1a57 n GLU 62 Cb 0.81 -5.36 0.00 0.00 0.27 0.00 0.00 31.44 27.17 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 -3.65 5.74 -4.69 4.31 4.32 -1.07 -3.70 117.00 118.27 1a57 n LEU 63 Ca -0.12 -4.24 -0.52 0.00 -0.02 0.00 0.00 56.01 51.11 1a57 n LEU 63 Cb 0.62 -1.65 -0.06 0.00 -1.62 0.00 0.00 43.42 40.72 1a57 n LEU 63 CO 0.62 0.73 1.44 0.41 -1.22 0.00 0.00 177.39 179.37 1a57 n THR 64 N 5.09 0.46 -2.63 -5.08 -1.04 -1.20 -4.33 114.28 105.54 1a57 n THR 64 Ca 0.45 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 1a57 n THR 64 Cb 0.42 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 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 4.42 4.83 0.00 3.41 0.00 0.96 -2.98 105.19 115.84 1a57 n GLY 65 Ca 0.25 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1a57 n GLY 65 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a57 n THR 66 N 0.00 0.00 -4.26 2.61 5.66 -1.19 -1.02 114.28 116.08 1a57 n THR 66 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1a57 n THR 66 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 1a57 n THR 66 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1a57 s TRP 67 N 0.00 0.77 -0.29 1.09 0.52 -1.25 -2.87 118.94 116.92 1a57 s TRP 67 Ca 0.00 -0.19 0.08 0.00 0.02 0.00 0.00 56.10 56.00 1a57 s TRP 67 Cb 0.00 -0.60 0.45 0.00 -1.15 0.00 0.00 33.47 32.17 1a57 s TRP 67 CO 0.00 -0.12 1.27 0.25 0.02 0.00 0.00 176.95 178.37 1a57 n THR 68 N 3.53 2.50 0.00 2.01 -2.24 -1.26 -0.65 114.28 118.18 1a57 n THR 68 Ca -0.20 -3.75 0.00 0.00 -2.27 0.00 0.00 64.05 57.83 1a57 n THR 68 Cb 0.54 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.87 0.00 -0.02 -0.78 1.56 -1.26 -4.86 117.12 110.89 1a57 n MET 69 Ca 0.37 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.80 1a57 n MET 69 Cb 0.88 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.25 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 0.00 0.23 -1.81 2.12 4.07 -1.24 -4.84 120.64 119.16 1a57 n GLU 70 Ca 0.00 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.86 1a57 n GLU 70 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 1a57 n GLU 70 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1a57 s GLY 71 N -2.59 -0.26 -1.42 8.31 0.00 -1.26 -2.75 107.32 107.34 1a57 s GLY 71 Ca 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 44.72 43.68 1a57 s GLY 71 CO 0.00 3.83 0.90 0.70 0.00 0.00 0.00 173.10 178.53 1a57 n ASN 72 N 15.80 -3.52 -4.18 1.64 4.13 -1.26 -4.97 115.26 122.90 1a57 n ASN 72 Ca 0.40 -0.77 -0.21 0.00 1.68 0.00 0.00 54.58 55.68 1a57 n ASN 72 Cb 0.47 -4.10 -0.09 0.00 -1.54 0.00 0.00 39.78 34.51 1a57 n ASN 72 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1a57 s LYS 73 N -6.31 1.66 -0.40 3.52 1.02 -1.11 -2.77 119.74 115.35 1a57 s LYS 73 Ca 0.39 -1.96 0.10 0.00 0.02 0.00 0.00 55.97 54.53 1a57 s LYS 73 Cb -0.19 -0.42 0.35 0.00 -0.52 0.00 0.00 37.83 37.05 1a57 s LYS 73 CO 0.81 -0.38 0.94 1.28 -0.92 0.00 0.00 175.35 177.09 1a57 n LEU 74 N -0.67 -0.48 -4.42 3.17 4.77 0.50 -3.67 117.00 116.20 1a57 n LEU 74 Ca -0.02 -4.29 -0.43 0.00 -0.03 0.00 0.00 56.01 51.24 1a57 n LEU 74 Cb 0.65 0.72 0.00 0.00 -2.33 0.00 0.00 43.42 42.46 1a57 n LEU 74 CO 0.37 2.11 1.74 0.52 -1.33 0.00 0.00 177.39 180.80 1a57 n VAL 75 N 0.21 4.10 -3.29 4.08 0.31 -1.26 -3.60 118.33 118.88 1a57 n VAL 75 Ca 0.14 -4.37 0.00 0.00 -0.01 0.00 0.00 64.34 60.11 1a57 n VAL 75 Cb 0.70 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 1a57 n VAL 75 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a57 n GLY 76 N 4.49 3.41 3.81 2.92 0.00 -1.26 -4.21 105.19 114.37 1a57 n GLY 76 Ca 0.43 -1.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 1a57 n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a57 s LYS 77 N -1.20 1.56 0.01 1.61 2.20 -1.14 -4.46 119.74 118.33 1a57 s LYS 77 Ca 0.00 -0.89 -0.14 0.00 -0.36 0.00 0.00 55.97 54.57 1a57 s LYS 77 Cb 0.00 0.51 0.02 0.00 -1.51 0.00 0.00 37.83 36.86 1a57 s LYS 77 CO 0.00 -0.72 0.31 -0.06 -0.36 0.00 0.00 175.35 174.52 1a57 s PHE 78 N -3.39 -0.15 -0.29 4.03 0.08 -1.24 -3.15 117.98 113.87 1a57 s PHE 78 Ca 0.13 0.15 -0.16 0.00 0.12 0.00 0.00 56.93 57.17 1a57 s PHE 78 Cb -0.04 0.10 0.15 0.00 -0.57 0.00 0.00 43.02 42.66 1a57 s PHE 78 CO 0.05 -0.43 0.96 0.21 -0.10 0.00 0.00 175.22 175.91 1a57 s LYS 79 N -1.80 0.37 -0.36 0.44 2.36 -1.16 0.15 119.74 119.74 1a57 s LYS 79 Ca -0.10 0.71 -0.29 0.00 -2.55 0.00 0.00 55.97 53.74 1a57 s LYS 79 Cb -0.03 0.20 0.01 0.00 -1.05 0.00 0.00 37.83 36.95 1a57 s LYS 79 CO 0.01 -0.09 1.29 1.03 1.55 0.00 0.00 175.35 179.14 1a57 s ARG 80 N 1.69 3.80 0.60 4.03 0.52 -1.26 -3.24 118.95 125.10 1a57 s ARG 80 Ca -0.07 1.04 0.30 0.00 -0.52 0.00 0.00 55.73 56.48 1a57 s ARG 80 Cb -0.05 -3.91 1.77 0.00 0.52 0.00 0.00 34.95 33.29 1a57 s ARG 80 CO -0.16 -1.26 2.17 0.28 0.02 0.00 0.00 175.30 176.35 1a57 h VAL 81 N 6.12 0.45 -0.67 3.52 2.07 -1.71 -2.43 116.25 123.60 1a57 h VAL 81 Ca -0.26 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.39 1a57 h VAL 81 Cb 1.09 0.91 -0.13 0.00 -1.52 0.00 0.00 31.29 31.64 1a57 h VAL 81 CO 1.06 0.00 -0.24 -0.78 0.02 0.00 0.00 177.57 177.63 1a57 h ASP 82 N 0.00 -0.87 0.00 0.57 1.82 -1.87 -3.36 116.42 112.71 1a57 h ASP 82 Ca 0.04 0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1a57 h ASP 82 Cb 0.27 0.50 0.00 0.00 0.68 0.00 0.00 39.33 40.78 1a57 h ASP 82 CO -0.00 -0.26 0.00 -0.46 -1.61 0.00 0.00 179.24 176.91 1a57 n ASN 83 N -5.46 0.00 -0.03 2.28 0.23 -0.95 -5.00 115.26 106.33 1a57 n ASN 83 Ca 0.07 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.12 1a57 n ASN 83 Cb 0.36 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 1a57 n ASN 83 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a57 n GLY 84 N 0.00 1.31 0.14 4.83 0.00 -1.00 -5.05 105.19 105.42 1a57 n GLY 84 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -0.32 -3.96 1.61 1.63 -1.87 -3.47 116.57 110.19 1a57 h LYS 85 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1a57 h LYS 85 Cb 0.10 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1a57 h LYS 85 CO 0.00 -0.21 -0.40 0.39 -3.45 0.00 0.00 179.45 175.78 1a57 n GLU 86 N -3.69 -1.47 -2.14 1.90 1.02 -1.26 -3.90 120.64 111.10 1a57 n GLU 86 Ca -0.04 1.47 -0.32 0.00 -0.02 0.00 0.00 57.16 58.24 1a57 n GLU 86 Cb 0.13 -3.04 0.02 0.00 -0.02 0.00 0.00 31.44 28.53 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 0.17 6.02 -4.66 -4.62 7.94 0.40 -3.92 117.00 118.34 1a57 n LEU 87 Ca 0.01 -4.97 -0.30 0.00 -1.11 0.00 0.00 56.01 49.65 1a57 n LEU 87 Cb 0.04 -0.72 0.17 0.00 0.53 0.00 0.00 43.42 43.44 1a57 n LEU 87 CO 0.20 1.99 0.64 -0.63 -1.11 0.00 0.00 177.39 178.48 1a57 s ILE 88 N -5.23 2.40 -0.40 1.96 1.01 -0.82 -3.93 121.20 116.18 1a57 s ILE 88 Ca 0.51 0.13 0.07 0.00 0.00 0.00 0.00 60.65 61.36 1a57 s ILE 88 Cb 0.42 -2.39 0.23 0.00 0.01 0.00 0.00 42.46 40.74 1a57 s ILE 88 CO -0.24 -0.17 0.49 0.00 0.00 0.00 0.00 174.94 175.02 1a57 n ALA 89 N -4.20 2.55 -2.45 9.38 0.00 -1.26 -2.37 120.51 122.16 1a57 n ALA 89 Ca 0.07 -3.38 -0.43 0.00 0.00 0.00 0.00 53.44 49.71 1a57 n ALA 89 Cb 0.54 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.97 4.19 0.04 0.00 1.01 -1.26 -4.71 120.40 118.70 1a57 s VAL 90 Ca 0.35 1.36 -0.28 0.00 0.00 0.00 0.00 61.98 63.40 1a57 s VAL 90 Cb 0.14 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.45 1a57 s VAL 90 CO -0.13 -0.44 1.03 -0.60 0.00 0.00 0.00 175.10 174.96 1a57 s ARG 91 N 4.05 0.83 -0.26 2.72 6.06 -1.24 -3.65 118.95 127.46 1a57 s ARG 91 Ca 0.55 -0.41 -0.08 0.00 -2.50 0.00 0.00 55.73 53.29 1a57 s ARG 91 Cb -0.17 0.32 0.12 0.00 0.06 0.00 0.00 34.95 35.28 1a57 s ARG 91 CO 0.21 -0.38 0.55 -1.83 -2.50 0.00 0.00 175.30 171.36 1a57 s GLU 92 N -2.97 0.48 0.37 5.12 -1.05 -1.26 0.19 118.70 119.58 1a57 s GLU 92 Ca 0.10 1.24 -0.23 0.00 -0.15 0.00 0.00 54.97 55.93 1a57 s GLU 92 Cb -0.00 0.61 -0.15 0.00 -0.44 0.00 0.00 34.13 34.15 1a57 s GLU 92 CO -0.03 -0.27 0.36 1.51 0.95 0.00 0.00 175.26 177.78 1a57 n ILE 93 N 5.42 1.33 -3.67 1.83 3.06 -1.11 -4.86 119.36 121.36 1a57 n ILE 93 Ca -0.10 -0.50 -0.10 0.00 -2.50 0.00 0.00 62.75 59.55 1a57 n ILE 93 Cb 0.49 -0.23 -0.11 0.00 0.54 0.00 0.00 39.64 40.34 1a57 n ILE 93 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1a57 s SER 94 N -0.97 -0.22 0.00 9.51 0.15 -1.24 -4.81 113.70 116.13 1a57 s SER 94 Ca 0.61 0.88 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1a57 s SER 94 Cb -0.68 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1a57 s SER 94 CO 0.60 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.43 1a57 n GLY 95 N 5.04 0.55 3.38 9.45 0.00 -1.26 -3.12 105.19 119.24 1a57 n GLY 95 Ca -0.13 -0.35 -0.19 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 0.63 -5.74 -3.15 1.61 5.15 -1.26 -4.98 115.26 107.52 1a57 n ASN 96 Ca 0.00 -0.78 0.06 0.00 -0.60 0.00 0.00 54.58 53.26 1a57 n ASN 96 Cb 0.00 -4.75 -0.00 0.00 -0.53 0.00 0.00 39.78 34.50 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1a57 s GLU 97 N -4.89 0.04 0.64 1.20 -1.05 -1.18 -4.58 118.70 108.88 1a57 s GLU 97 Ca 0.41 0.04 -0.17 0.00 -0.15 0.00 0.00 54.97 55.10 1a57 s GLU 97 Cb -0.08 0.02 -0.01 0.00 -0.44 0.00 0.00 34.13 33.63 1a57 s GLU 97 CO 0.77 -0.08 1.20 -1.17 0.95 0.00 0.00 175.26 176.93 1a57 s LEU 98 N 2.99 3.53 0.00 1.83 0.20 -1.26 -3.59 118.68 122.37 1a57 s LEU 98 Ca 0.31 2.35 0.00 0.00 0.69 0.00 0.00 54.13 57.48 1a57 s LEU 98 Cb -0.00 -4.59 0.00 0.00 -0.43 0.00 0.00 46.19 41.17 1a57 s LEU 98 CO -0.22 -1.82 0.00 -0.38 -0.29 0.00 0.00 176.35 173.64 1a57 n ILE 99 N -2.03 0.00 0.00 6.68 5.41 -1.26 -3.22 119.36 124.93 1a57 n ILE 99 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 1a57 n ILE 99 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 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 0.00 0.00 0.14 0.38 6.02 -1.26 -4.82 117.38 117.84 1a57 n GLN 100 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1a57 n GLN 100 Cb 0.00 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.44 1a57 n GLN 100 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1a57 h THR 101 N 0.00 1.41 -5.07 5.09 2.02 -1.72 -3.39 112.91 111.25 1a57 h THR 101 Ca 0.00 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.09 1a57 h THR 101 Cb 0.00 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1a57 h THR 101 CO 0.00 0.59 -0.30 -1.22 0.37 0.00 0.00 175.52 174.96 1a57 n TYR 102 N -3.79 -2.99 -2.25 3.16 4.01 -1.26 -0.45 117.16 113.58 1a57 n TYR 102 Ca -0.01 1.19 -0.38 0.00 -0.16 0.00 0.00 57.90 58.53 1a57 n TYR 102 Cb 0.61 -3.84 -0.02 0.00 -0.31 0.00 0.00 39.34 35.78 1a57 n TYR 102 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1a57 n THR 103 N -0.76 3.16 -3.69 -0.72 -1.04 -1.00 -3.91 114.28 106.33 1a57 n THR 103 Ca 0.07 -3.22 -0.38 0.00 -2.04 0.00 0.00 64.05 58.49 1a57 n THR 103 Cb 0.44 -2.32 -0.12 0.00 -1.82 0.00 0.00 70.33 66.51 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 6.22 3.14 0.00 -1.42 5.04 -1.12 -3.95 117.35 125.27 1a57 s TYR 104 Ca 0.58 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 1a57 s TYR 104 Cb 0.04 -2.31 0.00 0.00 0.35 0.00 0.00 41.96 40.05 1a57 s TYR 104 CO 0.08 -0.38 0.00 0.39 -1.34 0.00 0.00 175.55 174.30 1a57 n GLU 105 N 4.97 -0.66 -0.29 4.97 -0.58 -1.25 0.12 120.64 127.92 1a57 n GLU 105 Ca -0.15 -0.33 0.00 0.00 -0.42 0.00 0.00 57.16 56.27 1a57 n GLU 105 Cb 0.50 0.58 0.00 0.00 -0.57 0.00 0.00 31.44 31.96 1a57 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a57 n GLY 106 N -0.71 0.78 2.94 0.62 0.00 -1.26 -5.06 105.19 102.50 1a57 n GLY 106 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.20 1.51 -1.23 1.61 1.01 0.33 -5.03 120.40 116.41 1a57 s VAL 107 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 61.98 60.67 1a57 s VAL 107 Cb 0.00 -1.77 0.17 0.00 0.00 0.00 0.00 36.38 34.78 1a57 s VAL 107 CO 0.00 -0.08 1.51 -0.62 0.00 0.00 0.00 175.10 175.91 1a57 n GLU 108 N 4.68 3.39 -2.82 2.72 1.02 -1.26 -2.77 120.64 125.60 1a57 n GLU 108 Ca -0.12 -3.79 -0.43 0.00 -0.02 0.00 0.00 57.16 52.80 1a57 n GLU 108 Cb 0.44 -3.04 -0.02 0.00 -0.02 0.00 0.00 31.44 28.80 1a57 n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a57 s ALA 109 N 1.51 3.40 0.21 0.62 0.00 0.40 -4.98 121.76 122.92 1a57 s ALA 109 Ca 0.43 -2.85 -0.11 0.00 0.00 0.00 0.00 51.96 49.43 1a57 s ALA 109 Cb -0.01 -4.23 -0.07 0.00 0.00 0.00 0.00 23.12 18.80 1a57 s ALA 109 CO 0.01 -3.09 0.55 0.15 0.00 0.00 0.00 175.76 173.38 1a57 s LYS 110 N 3.02 3.85 -0.21 0.00 1.02 -1.25 -4.17 119.74 122.00 1a57 s LYS 110 Ca 0.40 0.34 -0.04 0.00 0.02 0.00 0.00 55.97 56.70 1a57 s LYS 110 Cb -0.02 -2.72 0.11 0.00 -0.52 0.00 0.00 37.83 34.67 1a57 s LYS 110 CO -0.05 0.36 0.28 1.03 -0.92 0.00 0.00 175.35 176.05 1a57 s ARG 111 N -2.58 0.25 -0.05 1.68 1.81 -1.26 -5.04 118.95 113.76 1a57 s ARG 111 Ca 0.45 0.38 -0.29 0.00 -1.72 0.00 0.00 55.73 54.55 1a57 s ARG 111 Cb -0.12 -0.82 -0.02 0.00 -0.45 0.00 0.00 34.95 33.53 1a57 s ARG 111 CO 0.20 -0.61 0.97 0.42 -0.68 0.00 0.00 175.30 175.60 1a57 s ILE 112 N 2.42 4.85 0.00 1.52 1.01 -1.26 -4.48 121.20 125.26 1a57 s ILE 112 Ca 0.08 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.74 1a57 s ILE 112 Cb -0.15 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1a57 s ILE 112 CO -0.13 0.10 0.00 0.49 0.00 0.00 0.00 174.94 175.40 1a57 n PHE 113 N 4.35 0.00 0.00 3.97 3.72 -1.20 -5.06 117.46 123.23 1a57 n PHE 113 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1a57 n PHE 113 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 -4.12 -1.08 0.00 -1.25 -4.47 118.16 107.24 1a57 n LYS 114 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1a57 n LYS 114 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.93 1a57 n LYS 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1a57 s LYS 115 N 4.80 0.71 0.00 -1.58 2.20 -1.26 -3.09 119.74 121.52 1a57 s LYS 115 Ca 0.00 -1.21 0.17 0.00 -0.36 0.00 0.00 55.97 54.57 1a57 s LYS 115 Cb 0.00 -0.07 1.00 0.00 -1.51 0.00 0.00 37.83 37.25 1a57 s LYS 115 CO 0.00 -0.04 1.41 0.39 -0.36 0.00 0.00 175.35 176.75