#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 -3.17 -1.98 0.00 3.72 -1.26 -4.98 117.46 109.78 1a57 n PHE 2 Ca 0.00 1.31 -0.03 0.00 -0.05 0.00 0.00 57.45 58.68 1a57 n PHE 2 Cb 0.00 -3.34 -0.01 0.00 -0.94 0.00 0.00 39.48 35.19 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 -0.04 -0.60 0.00 4.37 5.75 -0.63 -3.96 116.55 121.44 1a57 n ASP 3 Ca 0.05 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 1a57 n ASP 3 Cb 0.45 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 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 -0.21 1.33 3.72 6.12 0.00 0.22 -4.81 105.19 111.56 1a57 n GLY 4 Ca -0.14 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 1a57 n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a57 n THR 5 N -0.27 0.84 -4.90 2.61 -1.04 -1.26 -4.06 114.28 106.20 1a57 n THR 5 Ca 0.00 -0.21 -0.32 0.00 -2.04 0.00 0.00 64.05 61.48 1a57 n THR 5 Cb 0.00 -1.83 -0.13 0.00 -1.82 0.00 0.00 70.33 66.55 1a57 n THR 5 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1a57 s TRP 6 N 0.16 2.65 0.24 -1.42 0.52 0.85 -3.75 118.94 118.19 1a57 s TRP 6 Ca 0.67 -0.19 0.00 0.00 0.02 0.00 0.00 56.10 56.60 1a57 s TRP 6 Cb -0.54 -1.60 0.00 0.00 -1.15 0.00 0.00 33.47 30.18 1a57 s TRP 6 CO 0.46 0.18 0.00 1.63 0.02 0.00 0.00 176.95 179.24 1a57 n LYS 7 N 2.21 -1.94 -1.06 4.98 5.02 -1.18 0.11 118.16 126.31 1a57 n LYS 7 Ca -0.17 1.32 0.00 0.00 -2.02 0.00 0.00 58.31 57.44 1a57 n LYS 7 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 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 -3.25 -0.28 -2.17 -0.18 3.14 -1.26 -4.48 118.33 109.84 1a57 n VAL 8 Ca -0.00 0.14 -0.01 0.00 -2.96 0.00 0.00 64.34 61.51 1a57 n VAL 8 Cb 0.43 -0.23 0.01 0.00 -1.06 0.00 0.00 33.84 33.00 1a57 n VAL 8 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1a57 n ASP 9 N -2.00 -0.41 -3.51 6.55 5.68 -1.26 -4.97 116.55 116.63 1a57 n ASP 9 Ca 0.00 -1.07 -0.27 0.00 -0.50 0.00 0.00 54.79 52.95 1a57 n ASP 9 Cb 0.04 0.17 -0.09 0.00 -1.14 0.00 0.00 41.12 40.10 1a57 n ASP 9 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1a57 n ARG 10 N -0.29 2.08 -3.39 0.11 5.12 -1.26 -5.01 116.66 114.02 1a57 n ARG 10 Ca -0.07 -4.42 0.02 0.00 -1.93 0.00 0.00 57.85 51.45 1a57 n ARG 10 Cb 0.53 -2.13 -0.04 0.00 -1.16 0.00 0.00 32.46 29.65 1a57 n ARG 10 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1a57 s ASN 11 N -2.00 -0.51 0.00 0.55 4.22 -1.26 -4.90 114.94 111.04 1a57 s ASN 11 Ca 0.36 0.71 0.00 0.00 -2.14 0.00 0.00 52.86 51.78 1a57 s ASN 11 Cb 0.10 1.56 0.00 0.00 1.28 0.00 0.00 41.25 44.19 1a57 s ASN 11 CO -0.07 -0.10 0.00 -0.62 -2.04 0.00 0.00 177.10 174.27 1a57 n GLU 12 N 4.83 0.00 -0.15 3.55 4.71 -1.26 -4.75 120.64 127.57 1a57 n GLU 12 Ca -0.09 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.11 1a57 n GLU 12 Cb 0.53 -0.68 0.12 0.00 -1.01 0.00 0.00 31.44 30.41 1a57 n GLU 12 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1a57 n ASN 13 N -2.09 2.69 -3.79 1.62 0.23 -1.26 -5.00 115.26 107.67 1a57 n ASN 13 Ca 0.00 -2.45 -0.34 0.00 -0.53 0.00 0.00 54.58 51.26 1a57 n ASN 13 Cb 0.24 -0.26 0.03 0.00 -2.08 0.00 0.00 39.78 37.71 1a57 n ASN 13 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1a57 n TYR 14 N -0.45 -1.81 -2.81 -2.53 4.01 -1.26 -4.90 117.16 107.40 1a57 n TYR 14 Ca 0.11 0.40 -0.40 0.00 -0.16 0.00 0.00 57.90 57.85 1a57 n TYR 14 Cb 0.51 -3.19 -0.06 0.00 -0.31 0.00 0.00 39.34 36.30 1a57 n TYR 14 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1a57 s SER 15 N -3.41 7.53 0.00 7.72 1.04 -1.26 -4.79 113.70 120.53 1a57 s SER 15 Ca 0.41 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.65 1a57 s SER 15 Cb -0.18 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1a57 s SER 15 CO 0.90 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.84 1a57 n GLY 16 N 1.74 0.54 0.13 7.32 0.00 -1.26 -4.87 105.19 108.79 1a57 n GLY 16 Ca -0.02 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.98 1.10 -1.86 4.61 0.00 -1.26 -5.07 120.51 117.05 1a57 n ALA 17 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1a57 n ALA 17 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1a57 n ALA 17 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1a57 n HIS 18 N -4.30 0.00 -4.96 0.00 -0.00 -1.26 -5.14 115.22 99.55 1a57 n HIS 18 Ca -0.46 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 56.99 1a57 n HIS 18 Cb 0.81 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.64 1a57 n HIS 18 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1a57 s ASP 19 N 1.58 2.32 1.30 4.39 1.01 -1.26 -4.74 116.67 121.26 1a57 s ASP 19 Ca 0.00 -0.36 -0.18 0.00 0.71 0.00 0.00 52.55 52.72 1a57 s ASP 19 Cb 0.00 -0.30 0.31 0.00 1.01 0.00 0.00 42.92 43.94 1a57 s ASP 19 CO 0.00 0.24 0.83 0.59 0.21 0.00 0.00 175.17 177.04 1a57 n ASN 20 N 2.65 -2.89 -3.16 0.27 4.13 -1.26 -4.85 115.26 110.15 1a57 n ASN 20 Ca -0.15 -0.47 -0.15 0.00 1.68 0.00 0.00 54.58 55.48 1a57 n ASN 20 Cb 0.53 -1.10 0.10 0.00 -1.54 0.00 0.00 39.78 37.77 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 -4.85 0.00 0.00 3.41 -0.00 -1.26 -4.92 117.00 109.37 1a57 n LEU 21 Ca 0.06 -0.92 0.00 0.00 -0.00 0.00 0.00 56.01 55.16 1a57 n LEU 21 Cb 0.56 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1a57 n LEU 21 CO 0.49 -0.96 0.00 2.29 -0.00 0.00 0.00 177.39 179.21 1a57 n LYS 22 N -2.43 0.00 -4.22 1.47 2.85 -1.26 -4.71 118.16 109.86 1a57 n LYS 22 Ca 0.09 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.07 1a57 n LYS 22 Cb 0.33 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.66 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 0.00 2.68 0.00 -5.58 1.43 0.12 -3.65 118.68 113.68 1a57 s LEU 23 Ca 0.00 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 1a57 s LEU 23 Cb 0.00 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.11 1a57 s LEU 23 CO 0.00 -0.89 0.00 0.41 0.23 0.00 0.00 176.35 176.10 1a57 n THR 24 N -1.48 0.00 -1.35 5.49 -1.04 -1.26 -0.11 114.28 114.53 1a57 n THR 24 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1a57 n THR 24 Cb 0.65 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 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 0.00 -3.58 0.00 12.58 -0.00 -1.26 -2.88 119.36 124.23 1a57 n ILE 25 Ca 0.00 1.65 0.00 0.00 -0.00 0.00 0.00 62.75 64.40 1a57 n ILE 25 Cb 0.00 -2.46 0.00 0.00 -0.00 0.00 0.00 39.64 37.18 1a57 n ILE 25 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1a57 n THR 26 N -1.70 0.00 -0.50 1.39 5.66 -1.25 0.72 114.28 118.60 1a57 n THR 26 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 1a57 n THR 26 Cb 0.21 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.96 1a57 n THR 26 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a57 n GLN 27 N 0.00 0.00 0.00 1.09 -0.00 -1.26 -4.74 117.38 112.47 1a57 n GLN 27 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.00 57.07 1a57 n GLN 27 Cb 0.00 -0.46 0.32 0.00 -0.00 0.00 0.00 30.24 30.10 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 0.89 0.05 0.00 2.61 0.28 -1.00 -4.64 120.64 118.82 1a57 n GLU 28 Ca 0.08 0.23 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 1a57 n GLU 28 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 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 -0.02 1.72 0.00 -1.84 0.00 -1.26 -4.84 105.19 98.95 1a57 n GLY 29 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1a57 n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a57 n ASN 30 N 0.00 0.00 -4.66 1.61 6.94 -1.26 -5.06 115.26 112.82 1a57 n ASN 30 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.13 1a57 n ASN 30 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1a57 s LYS 31 N 0.00 4.26 -0.27 -3.83 1.02 -1.26 -2.70 119.74 116.95 1a57 s LYS 31 Ca 0.00 1.43 0.01 0.00 0.02 0.00 0.00 55.97 57.43 1a57 s LYS 31 Cb 0.00 -3.66 0.08 0.00 -0.52 0.00 0.00 37.83 33.73 1a57 s LYS 31 CO 0.00 -0.64 0.01 0.12 -0.92 0.00 0.00 175.35 173.93 1a57 s PHE 32 N 3.22 2.45 -0.18 3.18 2.19 -1.26 -2.37 117.98 125.21 1a57 s PHE 32 Ca 0.47 -1.98 -0.04 0.00 0.33 0.00 0.00 56.93 55.70 1a57 s PHE 32 Cb -0.17 -1.88 -0.02 0.00 -1.31 0.00 0.00 43.02 39.64 1a57 s PHE 32 CO 0.08 -0.83 -0.03 -0.08 1.83 0.00 0.00 175.22 176.20 1a57 s THR 33 N 1.37 3.85 0.06 0.12 -1.32 -1.26 -4.10 115.64 114.36 1a57 s THR 33 Ca 0.02 -0.36 -0.11 0.00 -1.21 0.00 0.00 61.69 60.03 1a57 s THR 33 Cb -0.18 -2.71 -0.06 0.00 -1.51 0.00 0.00 72.50 68.04 1a57 s THR 33 CO -0.11 0.46 0.40 -0.69 -2.21 0.00 0.00 174.62 172.47 1a57 s VAL 34 N 0.70 5.08 -1.33 5.08 1.01 -1.19 -4.14 120.40 125.60 1a57 s VAL 34 Ca -0.01 0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 1a57 s VAL 34 Cb -0.14 -3.66 0.13 0.00 0.00 0.00 0.00 36.38 32.71 1a57 s VAL 34 CO 0.02 0.36 1.98 1.17 0.00 0.00 0.00 175.10 178.64 1a57 n LYS 35 N 1.14 3.39 -0.68 2.72 4.81 -1.26 -3.14 118.16 125.14 1a57 n LYS 35 Ca -0.10 -3.25 -0.05 0.00 -0.87 0.00 0.00 58.31 54.05 1a57 n LYS 35 Cb 0.52 -3.03 -0.07 0.00 0.02 0.00 0.00 35.03 32.46 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 4.53 1.36 -2.05 1.64 -0.58 -1.23 -3.87 120.64 120.44 1a57 n GLU 36 Ca 0.43 -0.44 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 1a57 n GLU 36 Cb 0.37 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 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 2.04 6.68 -0.29 1.62 0.15 -1.23 -4.49 113.70 118.17 1a57 s SER 37 Ca 0.29 2.16 0.02 0.00 0.70 0.00 0.00 55.95 59.13 1a57 s SER 37 Cb 0.14 -2.53 0.20 0.00 -1.71 0.00 0.00 66.02 62.11 1a57 s SER 37 CO 0.00 -0.92 0.69 -0.44 1.20 0.00 0.00 173.24 173.77 1a57 s SER 38 N 3.26 -1.37 0.68 5.45 0.01 -1.23 -4.22 113.70 116.29 1a57 s SER 38 Ca 0.72 0.16 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1a57 s SER 38 Cb -0.32 1.87 0.00 0.00 0.21 0.00 0.00 66.02 67.78 1a57 s SER 38 CO 0.28 -0.25 0.00 0.59 0.41 0.00 0.00 173.24 174.27 1a57 n ASN 39 N 5.35 -6.05 0.00 2.44 4.13 -1.26 -4.64 115.26 115.23 1a57 n ASN 39 Ca 0.06 0.46 0.00 0.00 1.68 0.00 0.00 54.58 56.78 1a57 n ASN 39 Cb 0.55 -1.29 0.00 0.00 -1.54 0.00 0.00 39.78 37.50 1a57 n ASN 39 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1a57 n PHE 40 N -2.46 0.00 -2.47 3.10 3.72 -1.26 -4.56 117.46 113.52 1a57 n PHE 40 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1a57 n PHE 40 Cb 0.20 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 0.00 0.00 -3.45 -1.08 3.00 -1.26 -5.07 116.66 108.79 1a57 n ARG 41 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.41 1a57 n ARG 41 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 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 1.28 5.95 0.08 0.55 2.20 -1.26 -3.53 114.94 120.21 1a57 s ASN 42 Ca 0.00 -1.96 0.05 0.00 -0.94 0.00 0.00 52.86 50.01 1a57 s ASN 42 Cb 0.00 -2.10 -0.03 0.00 -2.00 0.00 0.00 41.25 37.12 1a57 s ASN 42 CO 0.00 -0.74 -0.13 -0.51 -2.94 0.00 0.00 177.10 172.78 1a57 s ILE 43 N 1.31 1.08 0.45 0.54 2.07 -1.26 -5.00 121.20 120.38 1a57 s ILE 43 Ca 0.06 -1.37 0.05 0.00 -1.41 0.00 0.00 60.65 57.99 1a57 s ILE 43 Cb -0.26 -1.11 -0.04 0.00 0.13 0.00 0.00 42.46 41.17 1a57 s ILE 43 CO -0.00 -0.29 0.08 -1.81 -1.91 0.00 0.00 174.94 171.01 1a57 s ASP 44 N -1.87 4.15 -0.33 4.50 1.11 -1.26 -3.51 116.67 119.45 1a57 s ASP 44 Ca -0.01 -1.37 -0.00 0.00 0.18 0.00 0.00 52.55 51.35 1a57 s ASP 44 Cb -0.09 -0.08 0.07 0.00 1.07 0.00 0.00 42.92 43.90 1a57 s ASP 44 CO 0.02 -0.65 0.04 0.68 1.18 0.00 0.00 175.17 176.44 1a57 s VAL 45 N -2.74 2.82 0.25 -1.27 -7.23 -1.19 -4.97 120.40 106.07 1a57 s VAL 45 Ca 0.28 -1.75 0.09 0.00 -1.81 0.00 0.00 61.98 58.79 1a57 s VAL 45 Cb 0.05 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1a57 s VAL 45 CO 0.15 -0.32 0.01 0.54 -0.31 0.00 0.00 175.10 175.16 1a57 s VAL 46 N 1.14 3.54 0.00 1.32 0.11 -1.26 -3.17 120.40 122.08 1a57 s VAL 46 Ca 0.00 -1.79 0.00 0.00 -2.93 0.00 0.00 61.98 57.26 1a57 s VAL 46 Cb -0.20 -2.87 0.00 0.00 -1.53 0.00 0.00 36.38 31.77 1a57 s VAL 46 CO -0.04 -0.32 0.00 2.22 -3.33 0.00 0.00 175.10 173.63 1a57 n PHE 47 N -0.75 0.00 -2.72 1.54 1.16 -1.26 -5.04 117.46 110.39 1a57 n PHE 47 Ca -0.07 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.43 1a57 n PHE 47 Cb 0.58 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 38.55 1a57 n PHE 47 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1a57 n GLU 48 N 0.00 0.91 -1.66 3.97 2.13 -1.26 -4.26 120.64 120.47 1a57 n GLU 48 Ca 0.00 -1.74 0.00 0.00 0.66 0.00 0.00 57.16 56.08 1a57 n GLU 48 Cb 0.00 -0.80 0.00 0.00 0.27 0.00 0.00 31.44 30.91 1a57 n GLU 48 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1a57 n LEU 49 N 0.27 -2.19 -1.21 4.31 7.94 -1.10 -4.36 117.00 120.66 1a57 n LEU 49 Ca 0.03 0.56 0.00 0.00 -1.11 0.00 0.00 56.01 55.49 1a57 n LEU 49 Cb 0.72 -0.88 0.00 0.00 0.53 0.00 0.00 43.42 43.79 1a57 n LEU 49 CO 0.01 -1.48 0.00 0.61 -1.11 0.00 0.00 177.39 175.41 1a57 n GLY 50 N 1.87 0.84 3.40 -3.96 0.00 -0.00 -4.92 105.19 102.42 1a57 n GLY 50 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.83 -0.84 0.66 1.61 1.01 -1.26 -5.00 120.40 113.74 1a57 s VAL 51 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1a57 s VAL 51 Cb 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1a57 s VAL 51 CO 0.00 0.02 1.05 1.51 0.00 0.00 0.00 175.10 177.67 1a57 s ASP 52 N 2.77 5.82 -0.25 3.32 -4.77 -1.26 -4.03 116.67 118.25 1a57 s ASP 52 Ca -0.00 1.45 -0.29 0.00 -3.30 0.00 0.00 52.55 50.41 1a57 s ASP 52 Cb -0.13 -2.41 0.17 0.00 -1.09 0.00 0.00 42.92 39.46 1a57 s ASP 52 CO -0.17 -1.14 1.26 0.72 0.70 0.00 0.00 175.17 176.54 1a57 s PHE 53 N -3.15 -0.14 -0.65 2.11 -0.71 0.16 -4.95 117.98 110.65 1a57 s PHE 53 Ca 0.56 0.25 -0.04 0.00 -1.04 0.00 0.00 56.93 56.66 1a57 s PHE 53 Cb -0.12 0.48 0.17 0.00 -1.21 0.00 0.00 43.02 42.34 1a57 s PHE 53 CO 0.54 -0.12 0.48 0.00 -1.34 0.00 0.00 175.22 174.78 1a57 s ALA 54 N -0.95 3.64 -0.12 1.99 0.00 -1.26 0.25 121.76 125.31 1a57 s ALA 54 Ca 0.06 -3.26 -0.11 0.00 0.00 0.00 0.00 51.96 48.65 1a57 s ALA 54 Cb -0.01 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 1a57 s ALA 54 CO -0.06 -2.12 0.25 0.71 0.00 0.00 0.00 175.76 174.54 1a57 s TYR 55 N -0.02 3.56 -1.01 0.00 2.02 -1.26 -4.94 117.35 115.71 1a57 s TYR 55 Ca 0.17 0.63 -0.13 0.00 -0.37 0.00 0.00 57.07 57.37 1a57 s TYR 55 Cb -0.19 -2.18 0.22 0.00 -0.40 0.00 0.00 41.96 39.41 1a57 s TYR 55 CO -0.04 0.50 1.06 0.45 -1.57 0.00 0.00 175.55 175.95 1a57 s SER 56 N -0.39 6.98 1.07 2.29 0.15 -1.26 -2.38 113.70 120.16 1a57 s SER 56 Ca 0.17 -2.94 -0.06 0.00 0.70 0.00 0.00 55.95 53.82 1a57 s SER 56 Cb -0.13 -2.28 0.09 0.00 -1.71 0.00 0.00 66.02 61.99 1a57 s SER 56 CO 0.05 -0.59 0.35 0.18 1.20 0.00 0.00 173.24 174.43 1a57 n LEU 57 N 4.27 0.00 0.00 3.45 4.32 0.39 -4.53 117.00 124.90 1a57 n LEU 57 Ca 0.23 -0.37 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1a57 n LEU 57 Cb 0.44 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1a57 n LEU 57 CO 0.46 -1.30 0.00 0.00 -1.22 0.00 0.00 177.39 175.33 1a57 n ALA 58 N -3.54 0.00 1.18 -1.18 0.00 -1.26 0.37 120.51 116.09 1a57 n ALA 58 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1a57 n ALA 58 Cb 0.18 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.64 0.94 0.00 0.00 9.92 -1.26 -4.61 116.55 118.90 1a57 n ASP 59 Ca 0.00 -0.77 0.00 0.00 -0.53 0.00 0.00 54.79 53.49 1a57 n ASP 59 Cb 0.00 0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a57 n GLY 60 N 1.38 0.00 3.49 0.44 0.00 -0.94 -5.14 105.19 104.42 1a57 n GLY 60 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1a57 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a57 s THR 61 N 0.00 4.91 -0.29 2.61 2.01 0.16 -4.93 115.64 120.11 1a57 s THR 61 Ca 0.00 -0.24 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 1a57 s THR 61 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1a57 s THR 61 CO 0.00 0.09 0.26 -0.70 -0.69 0.00 0.00 174.62 173.59 1a57 s GLU 62 N 1.67 3.90 -0.51 4.92 2.12 -1.26 0.15 118.70 129.69 1a57 s GLU 62 Ca 0.06 -0.25 0.07 0.00 0.36 0.00 0.00 54.97 55.21 1a57 s GLU 62 Cb -0.17 -3.68 0.34 0.00 0.26 0.00 0.00 34.13 30.87 1a57 s GLU 62 CO 0.08 -0.26 0.85 1.28 -0.54 0.00 0.00 175.26 176.68 1a57 n LEU 63 N 5.17 3.13 -4.61 2.70 4.32 -1.00 -3.45 117.00 123.26 1a57 n LEU 63 Ca -0.12 -5.43 -0.64 0.00 -0.02 0.00 0.00 56.01 49.81 1a57 n LEU 63 Cb 0.51 -0.11 -0.10 0.00 -1.62 0.00 0.00 43.42 42.10 1a57 n LEU 63 CO 0.35 2.31 1.35 0.41 -1.22 0.00 0.00 177.39 180.60 1a57 n THR 64 N 0.03 0.06 -2.52 -5.08 -1.04 -1.24 -4.40 114.28 100.09 1a57 n THR 64 Ca 0.29 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1a57 n THR 64 Cb 0.48 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 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 5.03 4.20 0.00 3.41 0.00 0.14 -3.43 105.19 114.54 1a57 n GLY 65 Ca 0.37 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.78 2.61 5.66 -1.15 0.39 114.28 118.01 1a57 n THR 66 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 1a57 n THR 66 Cb 0.00 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.61 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 -0.09 0.55 -0.32 1.09 0.52 -1.26 -3.14 118.94 116.29 1a57 s TRP 67 Ca 0.00 -0.09 0.11 0.00 0.02 0.00 0.00 56.10 56.14 1a57 s TRP 67 Cb 0.00 -0.72 0.74 0.00 -1.15 0.00 0.00 33.47 32.34 1a57 s TRP 67 CO 0.00 -0.29 1.73 0.25 0.02 0.00 0.00 176.95 178.66 1a57 n THR 68 N 5.06 2.73 -0.12 2.01 -2.24 -1.26 -0.82 114.28 119.64 1a57 n THR 68 Ca -0.08 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 1a57 n THR 68 Cb 0.50 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.18 0.00 -3.13 -0.78 1.56 -1.26 -4.70 117.12 109.00 1a57 n MET 69 Ca 0.34 0.00 -0.45 0.00 -0.27 0.00 0.00 57.70 57.32 1a57 n MET 69 Cb 1.26 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 36.60 1a57 n MET 69 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 1a57 s GLU 70 N 0.00 3.31 4.32 2.12 2.56 -1.24 -4.86 118.70 124.91 1a57 s GLU 70 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 54.97 53.25 1a57 s GLU 70 Cb 0.00 -4.46 0.00 0.00 2.00 0.00 0.00 34.13 31.67 1a57 s GLU 70 CO 0.00 -1.53 0.00 0.41 -0.56 0.00 0.00 175.26 173.58 1a57 n GLY 71 N 5.00 0.52 2.63 -1.50 0.00 -1.26 -0.96 105.19 109.63 1a57 n GLY 71 Ca 0.04 0.60 -0.27 0.00 0.00 0.00 0.00 46.02 46.39 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 8.72 4.60 -4.18 1.61 3.02 -1.26 -5.03 115.26 122.73 1a57 n ASN 72 Ca 0.00 -3.70 -0.16 0.00 -0.03 0.00 0.00 54.58 50.69 1a57 n ASN 72 Cb 0.00 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 38.58 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 -3.51 1.43 -0.35 3.52 1.02 -0.13 -3.13 119.74 118.59 1a57 s LYS 73 Ca 0.48 -1.79 0.14 0.00 0.02 0.00 0.00 55.97 54.83 1a57 s LYS 73 Cb 0.36 -0.11 0.40 0.00 -0.52 0.00 0.00 37.83 37.96 1a57 s LYS 73 CO -0.17 -0.36 0.89 1.28 -0.92 0.00 0.00 175.35 176.06 1a57 n LEU 74 N -0.47 0.81 -4.54 3.17 4.77 0.38 -3.62 117.00 117.51 1a57 n LEU 74 Ca 0.01 -4.25 -0.42 0.00 -0.03 0.00 0.00 56.01 51.32 1a57 n LEU 74 Cb 0.66 0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 42.27 1a57 n LEU 74 CO 0.36 1.91 1.04 -0.69 -1.33 0.00 0.00 177.39 178.69 1a57 s VAL 75 N -2.48 3.95 0.00 4.08 1.01 -1.26 -3.50 120.40 122.19 1a57 s VAL 75 Ca 0.32 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1a57 s VAL 75 Cb 0.40 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1a57 s VAL 75 CO -0.02 -1.60 0.00 0.61 0.00 0.00 0.00 175.10 174.08 1a57 n GLY 76 N 5.27 1.61 3.58 4.51 0.00 -1.26 -4.01 105.19 114.89 1a57 n GLY 76 Ca 0.03 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 0.51 1.46 0.03 1.61 2.20 -1.19 -4.47 119.74 119.90 1a57 s LYS 77 Ca 0.00 -0.86 -0.08 0.00 -0.36 0.00 0.00 55.97 54.67 1a57 s LYS 77 Cb 0.00 0.55 -0.00 0.00 -1.51 0.00 0.00 37.83 36.86 1a57 s LYS 77 CO 0.00 -0.63 0.16 -0.06 -0.36 0.00 0.00 175.35 174.46 1a57 s PHE 78 N -3.87 0.09 -0.29 4.03 0.08 -1.24 -2.92 117.98 113.85 1a57 s PHE 78 Ca 0.09 -0.31 -0.17 0.00 0.12 0.00 0.00 56.93 56.67 1a57 s PHE 78 Cb -0.02 -0.06 0.16 0.00 -0.57 0.00 0.00 43.02 42.53 1a57 s PHE 78 CO -0.02 -0.38 1.05 0.21 -0.10 0.00 0.00 175.22 175.98 1a57 s LYS 79 N -2.34 0.31 -0.71 0.44 2.36 -1.22 -0.21 119.74 118.37 1a57 s LYS 79 Ca -0.07 0.52 -0.26 0.00 -2.55 0.00 0.00 55.97 53.60 1a57 s LYS 79 Cb -0.02 0.07 0.04 0.00 -1.05 0.00 0.00 37.83 36.86 1a57 s LYS 79 CO -0.03 -0.06 1.22 1.03 1.55 0.00 0.00 175.35 179.06 1a57 s ARG 80 N 1.16 3.20 0.57 4.03 0.52 -1.22 -3.74 118.95 123.48 1a57 s ARG 80 Ca -0.08 -0.30 0.28 0.00 -0.52 0.00 0.00 55.73 55.12 1a57 s ARG 80 Cb -0.03 -4.17 1.53 0.00 0.52 0.00 0.00 34.95 32.79 1a57 s ARG 80 CO -0.13 -2.05 2.01 -0.24 0.02 0.00 0.00 175.30 174.91 1a57 h VAL 81 N 6.03 0.51 -0.97 3.52 3.04 -1.99 0.16 116.25 126.55 1a57 h VAL 81 Ca -0.28 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.48 1a57 h VAL 81 Cb 1.05 0.75 -0.07 0.00 -2.01 0.00 0.00 31.29 31.01 1a57 h VAL 81 CO 1.25 0.00 0.63 -0.78 -1.01 0.00 0.00 177.57 177.66 1a57 h ASP 82 N 0.00 0.98 0.00 3.17 3.58 -1.88 -3.31 116.42 118.97 1a57 h ASP 82 Ca 0.17 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1a57 h ASP 82 Cb 0.83 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1a57 h ASP 82 CO -0.00 0.62 0.00 0.59 -2.88 0.00 0.00 179.24 177.57 1a57 n ASN 83 N -4.51 0.52 -0.75 2.28 3.02 0.41 -4.97 115.26 111.26 1a57 n ASN 83 Ca 0.15 -0.84 -0.03 0.00 -0.03 0.00 0.00 54.58 53.84 1a57 n ASN 83 Cb 0.21 0.17 0.01 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.17 0.68 0.00 7.41 0.00 -0.26 -5.00 105.19 108.19 1a57 n GLY 84 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.08 0.00 -1.48 1.61 3.00 -1.04 -5.00 118.16 114.18 1a57 n LYS 85 Ca -0.00 0.38 -0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1a57 n LYS 85 Cb 0.51 -0.88 -0.00 0.00 0.00 0.00 0.00 35.03 34.66 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 -1.74 -1.58 -2.67 1.64 -0.58 -1.26 -4.11 120.64 110.34 1a57 n GLU 86 Ca 0.00 1.50 -0.09 0.00 -0.42 0.00 0.00 57.16 58.15 1a57 n GLU 86 Cb 0.00 -1.88 0.03 0.00 -0.57 0.00 0.00 31.44 29.02 1a57 n GLU 86 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1a57 n LEU 87 N 0.56 1.52 -4.78 -4.62 -0.00 0.71 -3.96 117.00 106.43 1a57 n LEU 87 Ca -0.02 -3.69 -0.41 0.00 -0.00 0.00 0.00 56.01 51.89 1a57 n LEU 87 Cb 0.03 0.41 -0.01 0.00 -0.00 0.00 0.00 43.42 43.86 1a57 n LEU 87 CO 0.02 1.53 1.11 -0.63 -0.00 0.00 0.00 177.39 179.42 1a57 s ILE 88 N -3.22 2.21 -0.54 1.47 1.01 -1.05 -4.24 121.20 116.83 1a57 s ILE 88 Ca 0.27 0.21 -0.10 0.00 0.00 0.00 0.00 60.65 61.03 1a57 s ILE 88 Cb 0.45 -3.13 0.14 0.00 0.01 0.00 0.00 42.46 39.92 1a57 s ILE 88 CO 0.03 0.05 0.43 0.00 0.00 0.00 0.00 174.94 175.45 1a57 s ALA 89 N -1.06 3.53 -0.34 9.38 0.00 -1.25 0.17 121.76 132.19 1a57 s ALA 89 Ca 0.52 -2.71 -0.17 0.00 0.00 0.00 0.00 51.96 49.61 1a57 s ALA 89 Cb -0.45 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1a57 s ALA 89 CO 0.60 -1.99 0.44 0.08 0.00 0.00 0.00 175.76 174.89 1a57 s VAL 90 N 1.10 5.10 0.00 0.00 1.01 -0.65 -4.53 120.40 122.42 1a57 s VAL 90 Ca 0.08 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1a57 s VAL 90 Cb -0.24 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1a57 s VAL 90 CO -0.01 -0.13 0.00 -1.14 0.00 0.00 0.00 175.10 173.82 1a57 n ARG 91 N 5.55 0.00 -3.16 2.72 3.00 -1.23 -3.62 116.66 119.91 1a57 n ARG 91 Ca -0.07 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.84 1a57 n ARG 91 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.93 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 -1.56 0.08 -0.66 -0.14 -1.05 -1.26 0.14 118.70 114.25 1a57 s GLU 92 Ca 0.00 0.15 -0.18 0.00 -0.15 0.00 0.00 54.97 54.79 1a57 s GLU 92 Cb 0.00 0.09 -0.16 0.00 -0.44 0.00 0.00 34.13 33.62 1a57 s GLU 92 CO 0.00 -0.08 1.73 1.51 0.95 0.00 0.00 175.26 179.37 1a57 n ILE 93 N 5.41 0.00 -2.37 1.83 0.13 -1.18 -4.78 119.36 118.39 1a57 n ILE 93 Ca -0.09 -0.05 -0.43 0.00 -1.10 0.00 0.00 62.75 61.08 1a57 n ILE 93 Cb 0.54 -0.28 0.00 0.00 -0.84 0.00 0.00 39.64 39.07 1a57 n ILE 93 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1a57 n SER 94 N 6.44 4.74 0.00 9.51 3.41 -1.26 -4.75 113.62 131.71 1a57 n SER 94 Ca 0.44 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1a57 n SER 94 Cb 0.03 -1.63 0.00 0.00 -0.26 0.00 0.00 64.21 62.35 1a57 n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a57 n GLY 95 N 4.21 0.32 2.50 5.00 0.00 -1.26 -4.32 105.19 111.65 1a57 n GLY 95 Ca 0.45 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 1a57 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a57 n ASN 96 N 0.00 3.09 -3.08 1.61 4.13 -1.26 -4.92 115.26 114.82 1a57 n ASN 96 Ca 0.00 -2.99 0.05 0.00 1.68 0.00 0.00 54.58 53.32 1a57 n ASN 96 Cb 0.00 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1a57 s GLU 97 N -3.54 0.20 0.48 3.52 4.04 -1.26 -4.06 118.70 118.08 1a57 s GLU 97 Ca 0.38 0.13 -0.21 0.00 0.04 0.00 0.00 54.97 55.30 1a57 s GLU 97 Cb 0.39 0.07 -0.08 0.00 0.02 0.00 0.00 34.13 34.54 1a57 s GLU 97 CO -0.03 -0.36 1.08 -1.17 -1.84 0.00 0.00 175.26 172.94 1a57 s LEU 98 N 2.74 3.91 0.37 1.83 0.20 -1.26 -4.08 118.68 122.39 1a57 s LEU 98 Ca 0.24 2.07 0.08 0.00 0.69 0.00 0.00 54.13 57.21 1a57 s LEU 98 Cb -0.02 -4.44 -0.06 0.00 -0.43 0.00 0.00 46.19 41.24 1a57 s LEU 98 CO -0.21 -0.85 0.02 -0.63 -0.29 0.00 0.00 176.35 174.39 1a57 s ILE 99 N -1.80 2.31 -0.30 6.68 1.01 -1.26 -3.53 121.20 124.31 1a57 s ILE 99 Ca 0.66 -1.98 0.01 0.00 0.00 0.00 0.00 60.65 59.35 1a57 s ILE 99 Cb -0.21 -2.86 0.19 0.00 0.01 0.00 0.00 42.46 39.59 1a57 s ILE 99 CO 0.25 -0.11 0.72 0.00 0.00 0.00 0.00 174.94 175.81 1a57 s GLN 100 N -3.73 0.46 -0.41 2.79 1.03 -1.26 -4.64 119.66 113.91 1a57 s GLN 100 Ca 0.35 0.36 -0.25 0.00 0.04 0.00 0.00 55.36 55.87 1a57 s GLN 100 Cb 0.04 0.18 0.02 0.00 0.03 0.00 0.00 33.01 33.28 1a57 s GLN 100 CO 0.19 -0.84 0.89 -0.08 -2.54 0.00 0.00 175.29 172.91 1a57 s THR 101 N 2.76 4.58 -0.99 3.63 -1.32 -1.24 -4.18 115.64 118.87 1a57 s THR 101 Ca 0.15 0.90 -0.23 0.00 -1.21 0.00 0.00 61.69 61.29 1a57 s THR 101 Cb -0.07 -4.35 0.00 0.00 -1.51 0.00 0.00 72.50 66.58 1a57 s THR 101 CO -0.23 -0.65 1.70 -0.31 -2.21 0.00 0.00 174.62 172.92 1a57 s TYR 102 N 3.49 2.21 -0.74 9.09 1.51 0.87 -1.64 117.35 132.13 1a57 s TYR 102 Ca 0.36 -0.20 -0.26 0.00 -1.01 0.00 0.00 57.07 55.96 1a57 s TYR 102 Cb -0.11 -4.39 -0.07 0.00 -0.11 0.00 0.00 41.96 37.27 1a57 s TYR 102 CO 0.22 -1.81 2.14 0.99 -1.11 0.00 0.00 175.55 175.97 1a57 s THR 103 N 7.39 3.23 -0.28 -0.71 2.01 0.46 -3.42 115.64 124.31 1a57 s THR 103 Ca 0.58 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.44 1a57 s THR 103 Cb -0.03 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1a57 s THR 103 CO -0.04 -0.52 0.04 -0.47 -0.69 0.00 0.00 174.62 172.94 1a57 s TYR 104 N 11.61 3.14 -0.63 4.92 5.04 -1.26 -2.60 117.35 137.57 1a57 s TYR 104 Ca 0.81 -1.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.24 1a57 s TYR 104 Cb -0.11 -2.19 0.00 0.00 0.35 0.00 0.00 41.96 40.00 1a57 s TYR 104 CO 0.11 -0.64 0.00 0.39 -1.34 0.00 0.00 175.55 174.07 1a57 n GLU 105 N 4.80 -1.37 0.00 4.97 1.02 -1.25 -1.06 120.64 127.75 1a57 n GLU 105 Ca -0.15 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1a57 n GLU 105 Cb 0.47 -4.32 0.00 0.00 -0.02 0.00 0.00 31.44 27.57 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 -0.02 1.14 0.11 0.62 0.00 -1.26 -5.01 105.19 100.77 1a57 n GLY 106 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.67 1.31 -2.17 1.61 0.31 -0.22 -5.08 118.33 112.42 1a57 n VAL 107 Ca 0.00 -0.55 -0.03 0.00 -0.01 0.00 0.00 64.34 63.75 1a57 n VAL 107 Cb 0.00 -1.18 -0.02 0.00 -0.91 0.00 0.00 33.84 31.72 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 -3.09 -2.61 -3.81 5.55 1.02 -1.26 -4.97 120.64 111.46 1a57 n GLU 108 Ca -0.39 2.19 -0.27 0.00 -0.02 0.00 0.00 57.16 58.66 1a57 n GLU 108 Cb 0.96 -3.49 -0.17 0.00 -0.02 0.00 0.00 31.44 28.73 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 -0.54 1.20 0.24 0.62 0.00 -1.22 -4.97 121.76 117.08 1a57 s ALA 109 Ca -0.13 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1a57 s ALA 109 Cb 0.01 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1a57 s ALA 109 CO 0.48 -0.91 0.07 1.63 0.00 0.00 0.00 175.76 177.02 1a57 n LYS 110 N 4.97 1.33 -3.65 0.00 5.02 -1.26 -0.09 118.16 124.48 1a57 n LYS 110 Ca -0.10 -1.62 -0.04 0.00 -2.02 0.00 0.00 58.31 54.53 1a57 n LYS 110 Cb 0.48 0.34 -0.06 0.00 -0.02 0.00 0.00 35.03 35.76 1a57 n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1a57 s ARG 111 N -2.89 0.46 -0.19 1.97 0.52 -1.26 -4.98 118.95 112.58 1a57 s ARG 111 Ca 0.05 1.26 -0.17 0.00 -0.52 0.00 0.00 55.73 56.35 1a57 s ARG 111 Cb -0.00 0.63 -0.04 0.00 0.52 0.00 0.00 34.95 36.06 1a57 s ARG 111 CO 0.03 -0.23 0.45 -1.50 0.02 0.00 0.00 175.30 174.07 1a57 s ILE 112 N 2.77 5.16 0.00 1.52 2.07 -1.26 -4.08 121.20 127.38 1a57 s ILE 112 Ca -0.04 0.83 0.00 0.00 -1.41 0.00 0.00 60.65 60.03 1a57 s ILE 112 Cb -0.12 -3.78 0.00 0.00 0.13 0.00 0.00 42.46 38.69 1a57 s ILE 112 CO -0.16 0.23 0.00 0.49 -1.91 0.00 0.00 174.94 173.59 1a57 n PHE 113 N 4.51 0.00 -1.19 3.50 3.72 -1.23 -5.07 117.46 121.70 1a57 n PHE 113 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1a57 n PHE 113 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1a57 n PHE 113 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1a57 n LYS 114 N 0.00 0.00 -4.26 -1.08 0.00 -1.26 -4.64 118.16 106.92 1a57 n LYS 114 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 1a57 n LYS 114 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 34.92 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 2.03 1.07 0.00 -1.58 2.20 -1.26 -3.13 119.74 119.08 1a57 s LYS 115 Ca 0.00 -1.27 0.00 0.00 -0.36 0.00 0.00 55.97 54.34 1a57 s LYS 115 Cb 0.00 -0.98 0.00 0.00 -1.51 0.00 0.00 37.83 35.34 1a57 s LYS 115 CO 0.00 0.19 0.00 0.39 -0.36 0.00 0.00 175.35 175.57