#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 -0.09 -0.90 0.00 3.72 -1.26 -4.97 117.46 113.96 1a57 n PHE 2 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 1a57 n PHE 2 Cb 0.00 0.46 -0.10 0.00 -0.94 0.00 0.00 39.48 38.91 1a57 n PHE 2 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1a57 n ASP 3 N -2.38 -1.17 0.00 4.37 9.92 -1.11 -4.22 116.55 121.96 1a57 n ASP 3 Ca 0.00 -0.62 0.00 0.00 -0.53 0.00 0.00 54.79 53.64 1a57 n ASP 3 Cb 0.00 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 1a57 n ASP 3 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a57 n GLY 4 N 3.53 0.00 0.74 0.44 0.00 -1.22 -5.01 105.19 103.68 1a57 n GLY 4 Ca 0.28 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 -0.76 -3.92 2.61 -1.04 -1.26 -5.02 114.28 104.89 1a57 n THR 5 Ca 0.00 0.55 -0.08 0.00 -2.04 0.00 0.00 64.05 62.48 1a57 n THR 5 Cb 0.00 -0.87 -0.04 0.00 -1.82 0.00 0.00 70.33 67.61 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 -3.96 0.06 0.08 -1.42 0.52 0.33 -4.65 118.94 109.90 1a57 s TRP 6 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 56.10 55.65 1a57 s TRP 6 Cb 0.00 0.46 0.00 0.00 -1.15 0.00 0.00 33.47 32.78 1a57 s TRP 6 CO 0.00 -1.12 0.00 1.63 0.02 0.00 0.00 176.95 177.48 1a57 n LYS 7 N -0.42 -0.67 -4.28 4.98 5.02 0.12 -2.10 118.16 120.81 1a57 n LYS 7 Ca -0.03 0.44 -0.33 0.00 -2.02 0.00 0.00 58.31 56.37 1a57 n LYS 7 Cb 0.60 -0.82 -0.08 0.00 -0.02 0.00 0.00 35.03 34.71 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 -1.36 -1.29 0.12 -0.18 3.14 -1.26 -4.72 118.33 112.78 1a57 n VAL 8 Ca 0.00 -0.51 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1a57 n VAL 8 Cb 0.15 -1.22 0.00 0.00 -1.06 0.00 0.00 33.84 31.71 1a57 n VAL 8 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1a57 n ASP 9 N -2.80 0.19 -4.82 6.55 8.00 -1.26 -4.94 116.55 117.47 1a57 n ASP 9 Ca -0.30 0.40 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 1a57 n ASP 9 Cb 0.68 0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.92 1a57 n ASP 9 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1a57 s ARG 10 N -2.00 4.14 0.00 -1.24 3.52 -1.26 -4.19 118.95 117.92 1a57 s ARG 10 Ca 0.00 0.67 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 1a57 s ARG 10 Cb 0.00 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 1a57 s ARG 10 CO 0.00 0.64 0.00 0.09 -0.81 0.00 0.00 175.30 175.22 1a57 n ASN 11 N 1.69 0.00 -3.42 -2.12 3.02 -1.26 -4.12 115.26 109.05 1a57 n ASN 11 Ca -0.11 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.22 1a57 n ASN 11 Cb 0.51 -0.11 0.08 0.00 -0.61 0.00 0.00 39.78 39.65 1a57 n ASN 11 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1a57 n GLU 12 N -1.42 -7.41 -2.12 3.52 2.13 -1.26 -4.38 120.64 109.71 1a57 n GLU 12 Ca 0.00 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1a57 n GLU 12 Cb 0.00 -5.71 0.00 0.00 0.27 0.00 0.00 31.44 26.00 1a57 n GLU 12 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1a57 n ASN 13 N -2.82 -8.48 -0.25 4.31 5.03 -1.26 -4.86 115.26 106.94 1a57 n ASN 13 Ca -0.03 1.55 0.05 0.00 0.87 0.00 0.00 54.58 57.02 1a57 n ASN 13 Cb 0.57 -4.63 0.18 0.00 -1.02 0.00 0.00 39.78 34.89 1a57 n ASN 13 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1a57 h TYR 14 N 3.69 0.40 -3.50 3.10 5.03 -1.90 -3.36 116.97 120.43 1a57 h TYR 14 Ca 0.00 0.04 -0.60 0.00 2.58 0.00 0.00 58.73 60.74 1a57 h TYR 14 Cb 0.00 -0.06 -0.11 0.00 1.55 0.00 0.00 36.73 38.10 1a57 h TYR 14 CO 0.00 -0.00 -0.06 -1.12 -1.32 0.00 0.00 178.16 175.66 1a57 s SER 15 N -5.29 6.50 -0.72 -2.11 0.01 -1.26 -4.99 113.70 105.84 1a57 s SER 15 Ca -0.13 0.60 -0.22 0.00 1.31 0.00 0.00 55.95 57.51 1a57 s SER 15 Cb 0.21 -2.28 0.07 0.00 0.21 0.00 0.00 66.02 64.23 1a57 s SER 15 CO 0.76 -0.20 1.04 -0.83 0.41 0.00 0.00 173.24 174.42 1a57 s GLY 16 N 1.25 1.39 0.00 3.44 0.00 -1.26 -4.33 107.32 107.82 1a57 s GLY 16 Ca 0.22 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1a57 s GLY 16 CO 0.09 2.14 0.00 0.00 0.00 0.00 0.00 173.10 175.34 1a57 n ALA 17 N 7.77 0.20 -1.88 3.20 0.00 -1.26 -5.13 120.51 123.42 1a57 n ALA 17 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 1a57 n ALA 17 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.47 3.44 -0.19 0.00 3.76 -1.26 -5.00 115.29 115.57 1a57 s HIS 18 Ca 0.00 1.44 0.16 0.00 -0.15 0.00 0.00 55.06 56.51 1a57 s HIS 18 Cb 0.00 -2.76 0.36 0.00 1.11 0.00 0.00 32.58 31.29 1a57 s HIS 18 CO 0.00 -0.30 1.24 -3.47 -0.85 0.00 0.00 174.74 171.36 1a57 n ASP 19 N -1.42 -0.02 -3.06 1.40 2.03 -1.26 -4.97 116.55 109.25 1a57 n ASP 19 Ca 0.06 -2.08 -0.00 0.00 0.52 0.00 0.00 54.79 53.29 1a57 n ASP 19 Cb 0.54 0.09 -0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1a57 n ASP 19 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1a57 s ASN 20 N -2.07 -1.43 0.08 1.67 3.84 -1.26 -5.13 114.94 110.65 1a57 s ASN 20 Ca 0.17 -1.00 -0.27 0.00 0.21 0.00 0.00 52.86 51.97 1a57 s ASN 20 Cb 0.31 1.84 0.09 0.00 -0.55 0.00 0.00 41.25 42.94 1a57 s ASN 20 CO -0.08 -0.13 1.11 -1.48 -2.79 0.00 0.00 177.10 173.73 1a57 s LEU 21 N 1.58 -0.11 -0.06 3.21 0.05 -1.26 -4.54 118.68 117.53 1a57 s LEU 21 Ca 0.20 -0.30 -0.30 0.00 0.05 0.00 0.00 54.13 53.78 1a57 s LEU 21 Cb -0.02 1.81 0.10 0.00 -2.05 0.00 0.00 46.19 46.03 1a57 s LEU 21 CO -0.07 -0.64 1.34 -0.54 -0.55 0.00 0.00 176.35 175.89 1a57 s LYS 22 N -2.85 0.17 0.18 1.48 1.02 -1.26 -4.68 119.74 113.80 1a57 s LYS 22 Ca 0.14 -0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.02 1a57 s LYS 22 Cb 0.01 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 1a57 s LYS 22 CO -0.00 -0.08 0.04 -0.51 -0.92 0.00 0.00 175.35 173.88 1a57 s LEU 23 N -3.82 1.88 0.00 3.17 1.43 -0.89 -3.92 118.68 116.52 1a57 s LEU 23 Ca 0.30 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1a57 s LEU 23 Cb 0.00 0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.30 1a57 s LEU 23 CO -0.02 -0.66 0.00 0.41 0.23 0.00 0.00 176.35 176.31 1a57 n THR 24 N -0.24 0.00 -3.13 5.49 -1.04 -1.26 0.12 114.28 114.22 1a57 n THR 24 Ca -0.04 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.61 1a57 n THR 24 Cb 0.64 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.09 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 4.60 -0.49 12.58 1.09 -1.26 -3.97 121.20 133.75 1a57 s ILE 25 Ca 0.00 1.22 0.05 0.00 -1.10 0.00 0.00 60.65 60.81 1a57 s ILE 25 Cb 0.00 -3.83 0.20 0.00 -1.06 0.00 0.00 42.46 37.77 1a57 s ILE 25 CO 0.00 0.19 0.80 0.41 -0.10 0.00 0.00 174.94 176.24 1a57 n THR 26 N 0.67 0.00 -1.21 2.92 -1.04 -1.24 -2.75 114.28 111.64 1a57 n THR 26 Ca -0.02 -0.89 -0.35 0.00 -2.04 0.00 0.00 64.05 60.74 1a57 n THR 26 Cb 0.51 0.96 0.09 0.00 -1.82 0.00 0.00 70.33 70.07 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 2.81 0.26 -3.79 -2.82 -0.00 -1.26 -4.69 117.38 107.89 1a57 n GLN 27 Ca 0.16 0.14 -0.28 0.00 -0.00 0.00 0.00 57.00 57.02 1a57 n GLN 27 Cb 0.58 -1.99 -0.12 0.00 -0.00 0.00 0.00 30.24 28.71 1a57 n GLN 27 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1a57 s GLU 28 N -3.16 2.01 1.03 2.61 2.02 -0.44 -4.84 118.70 117.92 1a57 s GLU 28 Ca 0.67 -2.93 0.00 0.00 0.02 0.00 0.00 54.97 52.73 1a57 s GLU 28 Cb -0.32 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1a57 s GLU 28 CO 0.57 -1.28 0.00 0.41 0.02 0.00 0.00 175.26 174.97 1a57 n GLY 29 N 2.37 1.85 0.00 -1.39 0.00 -1.26 -1.40 105.19 105.36 1a57 n GLY 29 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 4.97 0.77 -4.87 1.61 3.02 -1.26 -5.04 115.26 114.46 1a57 n ASN 30 Ca 0.00 -1.18 -0.31 0.00 -0.03 0.00 0.00 54.58 53.06 1a57 n ASN 30 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1a57 s LYS 31 N -0.18 3.52 -0.37 3.52 1.02 -0.49 -1.56 119.74 125.20 1a57 s LYS 31 Ca 0.00 0.74 -0.03 0.00 0.02 0.00 0.00 55.97 56.70 1a57 s LYS 31 Cb 0.00 -2.07 0.19 0.00 -0.52 0.00 0.00 37.83 35.43 1a57 s LYS 31 CO 0.00 -0.62 0.93 0.12 -0.92 0.00 0.00 175.35 174.86 1a57 s PHE 32 N -3.19 -0.79 -0.16 3.18 5.36 -1.22 -1.33 117.98 119.84 1a57 s PHE 32 Ca 0.55 -0.01 -0.15 0.00 -0.96 0.00 0.00 56.93 56.36 1a57 s PHE 32 Cb -0.11 0.15 -0.05 0.00 -0.34 0.00 0.00 43.02 42.67 1a57 s PHE 32 CO 0.54 -0.57 0.33 -0.08 -1.46 0.00 0.00 175.22 173.98 1a57 s THR 33 N 1.58 5.28 -0.15 0.12 -1.32 -1.26 -4.56 115.64 115.33 1a57 s THR 33 Ca 0.19 0.62 -0.07 0.00 -1.21 0.00 0.00 61.69 61.22 1a57 s THR 33 Cb 0.04 -3.67 -0.04 0.00 -1.51 0.00 0.00 72.50 67.32 1a57 s THR 33 CO -0.11 0.37 0.09 -0.69 -2.21 0.00 0.00 174.62 172.07 1a57 s VAL 34 N 0.53 5.06 -1.53 5.08 1.01 -1.21 -3.59 120.40 125.76 1a57 s VAL 34 Ca 0.18 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 1a57 s VAL 34 Cb -0.13 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1a57 s VAL 34 CO 0.05 0.52 2.66 1.17 0.00 0.00 0.00 175.10 179.50 1a57 n LYS 35 N 2.88 3.59 -1.88 2.72 4.81 -1.25 -3.04 118.16 125.98 1a57 n LYS 35 Ca -0.18 -2.52 -0.42 0.00 -0.87 0.00 0.00 58.31 54.32 1a57 n LYS 35 Cb 0.53 -2.91 0.00 0.00 0.02 0.00 0.00 35.03 32.67 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 4.01 2.94 -2.56 1.64 1.02 -1.25 -3.92 120.64 122.53 1a57 n GLU 36 Ca 0.68 -2.74 -0.42 0.00 -0.02 0.00 0.00 57.16 54.65 1a57 n GLU 36 Cb 0.28 -3.30 -0.03 0.00 -0.02 0.00 0.00 31.44 28.37 1a57 n GLU 36 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1a57 s SER 37 N 3.22 7.16 0.00 1.62 0.01 -1.23 -4.23 113.70 120.24 1a57 s SER 37 Ca 0.48 1.73 0.00 0.00 1.31 0.00 0.00 55.95 59.47 1a57 s SER 37 Cb 0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1a57 s SER 37 CO -0.06 -0.49 0.00 -1.54 0.41 0.00 0.00 173.24 171.56 1a57 n SER 38 N 4.82 0.00 0.00 2.44 3.41 -1.03 -4.41 113.62 118.85 1a57 n SER 38 Ca 0.09 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1a57 n SER 38 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1a57 n SER 38 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a57 n ASN 39 N -0.21 0.00 -0.53 4.04 3.02 -1.26 -2.37 115.26 117.95 1a57 n ASN 39 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1a57 n ASN 39 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.00 0.00 -3.95 3.10 3.72 -1.26 -5.12 117.46 113.95 1a57 n PHE 40 Ca 0.00 -0.01 0.02 0.00 -0.05 0.00 0.00 57.45 57.40 1a57 n PHE 40 Cb 0.00 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.52 1a57 n PHE 40 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1a57 n ARG 41 N 0.01 0.12 -3.35 -1.08 0.00 -1.00 -5.11 116.66 106.26 1a57 n ARG 41 Ca 0.00 -0.52 -0.39 0.00 -0.00 0.00 0.00 57.85 56.95 1a57 n ARG 41 Cb 0.70 0.85 -0.08 0.00 -0.00 0.00 0.00 32.46 33.93 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 -2.87 6.38 0.01 2.89 2.20 -1.26 -2.46 114.94 119.83 1a57 s ASN 42 Ca 0.20 0.45 -0.01 0.00 -0.94 0.00 0.00 52.86 52.56 1a57 s ASN 42 Cb -0.01 -2.24 -0.01 0.00 -2.00 0.00 0.00 41.25 37.00 1a57 s ASN 42 CO -0.00 -0.16 0.02 -0.51 -2.94 0.00 0.00 177.10 173.50 1a57 s ILE 43 N 1.77 0.07 0.46 0.54 2.07 -1.26 -4.97 121.20 119.88 1a57 s ILE 43 Ca 0.18 -0.56 0.05 0.00 -1.41 0.00 0.00 60.65 58.92 1a57 s ILE 43 Cb -0.15 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.19 1a57 s ILE 43 CO 0.09 -0.31 0.12 -1.81 -1.91 0.00 0.00 174.94 171.12 1a57 s ASP 44 N -0.93 4.23 -0.47 4.50 1.01 -1.26 -3.58 116.67 120.17 1a57 s ASP 44 Ca -0.10 -1.34 0.03 0.00 0.71 0.00 0.00 52.55 51.85 1a57 s ASP 44 Cb -0.06 -0.04 0.13 0.00 1.01 0.00 0.00 42.92 43.95 1a57 s ASP 44 CO -0.00 -0.69 0.23 -0.69 0.21 0.00 0.00 175.17 174.22 1a57 s VAL 45 N -2.73 2.16 0.21 -1.27 1.01 -1.17 -4.99 120.40 113.62 1a57 s VAL 45 Ca 0.28 -2.93 0.05 0.00 0.00 0.00 0.00 61.98 59.38 1a57 s VAL 45 Cb 0.04 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1a57 s VAL 45 CO 0.16 -0.80 0.24 0.54 0.00 0.00 0.00 175.10 175.23 1a57 s VAL 46 N 0.08 4.80 -2.69 2.92 0.11 -1.26 -3.28 120.40 121.08 1a57 s VAL 46 Ca 0.16 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 1a57 s VAL 46 Cb -0.25 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 1a57 s VAL 46 CO -0.02 -0.25 0.00 2.22 -3.33 0.00 0.00 175.10 173.73 1a57 n PHE 47 N -0.94 0.00 -3.47 1.54 1.16 -1.26 -5.03 117.46 109.46 1a57 n PHE 47 Ca -0.08 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.22 1a57 n PHE 47 Cb 0.56 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.32 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 -1.08 0.91 0.04 3.97 2.02 -1.26 -3.43 118.70 119.87 1a57 s GLU 48 Ca 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 54.97 53.05 1a57 s GLU 48 Cb 0.00 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.67 1a57 s GLU 48 CO 0.00 -1.31 0.00 1.28 0.02 0.00 0.00 175.26 175.25 1a57 n LEU 49 N 3.20 0.00 -3.99 1.80 4.32 -0.60 -3.25 117.00 118.49 1a57 n LEU 49 Ca 0.22 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.79 1a57 n LEU 49 Cb 0.43 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.23 1a57 n LEU 49 CO 0.12 0.00 1.66 0.61 -1.22 0.00 0.00 177.39 178.56 1a57 n GLY 50 N 0.00 4.67 2.65 -0.72 0.00 -1.26 -3.20 105.19 107.33 1a57 n GLY 50 Ca 0.00 -2.24 -0.22 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.26 -0.19 0.39 1.61 1.01 -1.20 -5.10 120.40 116.66 1a57 s VAL 51 Ca 0.38 -1.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 1a57 s VAL 51 Cb 0.06 -0.88 -0.10 0.00 0.00 0.00 0.00 36.38 35.46 1a57 s VAL 51 CO 0.02 -0.69 0.98 -1.81 0.00 0.00 0.00 175.10 173.60 1a57 s ASP 52 N 1.55 6.97 0.14 3.32 1.01 -1.26 -4.59 116.67 123.81 1a57 s ASP 52 Ca 0.15 1.85 -0.17 0.00 0.71 0.00 0.00 52.55 55.09 1a57 s ASP 52 Cb -0.17 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.23 1a57 s ASP 52 CO -0.10 -0.34 0.44 0.72 0.21 0.00 0.00 175.17 176.09 1a57 s PHE 53 N -1.85 -0.20 -0.33 4.23 -0.12 0.00 -4.97 117.98 114.75 1a57 s PHE 53 Ca 0.58 -0.12 -0.05 0.00 -0.05 0.00 0.00 56.93 57.29 1a57 s PHE 53 Cb -0.16 0.30 0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1a57 s PHE 53 CO 0.21 -0.76 0.08 0.00 -0.05 0.00 0.00 175.22 174.71 1a57 s ALA 54 N -3.82 3.00 0.48 1.99 0.00 -1.26 -1.52 121.76 120.63 1a57 s ALA 54 Ca 0.04 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.26 1a57 s ALA 54 Cb 0.01 -2.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 1a57 s ALA 54 CO -0.10 -1.33 0.06 0.98 0.00 0.00 0.00 175.76 175.37 1a57 n TYR 55 N 4.77 0.80 -3.54 0.00 9.36 -1.17 -5.01 117.16 122.38 1a57 n TYR 55 Ca -0.12 -2.61 -0.29 0.00 3.32 0.00 0.00 57.90 58.20 1a57 n TYR 55 Cb 0.44 -0.22 -0.15 0.00 -0.63 0.00 0.00 39.34 38.79 1a57 n TYR 55 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1a57 s SER 56 N -3.74 3.49 0.00 2.98 1.04 -1.26 -3.09 113.70 113.12 1a57 s SER 56 Ca 0.08 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1a57 s SER 56 Cb 0.00 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1a57 s SER 56 CO 0.06 -0.43 0.80 -0.11 0.98 0.00 0.00 173.24 174.54 1a57 n LEU 57 N 5.13 0.00 -0.82 2.42 7.94 -1.26 -3.38 117.00 127.04 1a57 n LEU 57 Ca -0.04 0.80 0.02 0.00 -1.11 0.00 0.00 56.01 55.68 1a57 n LEU 57 Cb 0.42 -0.30 0.12 0.00 0.53 0.00 0.00 43.42 44.18 1a57 n LEU 57 CO 0.05 -0.30 0.46 0.00 -1.11 0.00 0.00 177.39 176.50 1a57 n ALA 58 N -1.54 2.83 -0.84 1.96 0.00 -1.26 -4.86 120.51 116.80 1a57 n ALA 58 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1a57 n ALA 58 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.18 -0.20 -0.98 0.00 9.92 -1.22 -4.67 116.55 119.58 1a57 n ASP 59 Ca 0.08 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.35 1a57 n ASP 59 Cb 0.47 -0.87 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 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 -1.98 0.76 3.67 0.44 0.00 -1.26 -5.09 105.19 101.72 1a57 n GLY 60 Ca 0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1a57 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a57 s THR 61 N 0.00 1.99 -0.28 2.61 -4.23 -1.26 -5.06 115.64 109.41 1a57 s THR 61 Ca 0.15 -1.92 0.13 0.00 -1.18 0.00 0.00 61.69 58.87 1a57 s THR 61 Cb 0.17 -2.91 0.37 0.00 1.34 0.00 0.00 72.50 71.47 1a57 s THR 61 CO -0.08 0.00 1.42 1.21 -0.54 0.00 0.00 174.62 176.64 1a57 n GLU 62 N -1.07 1.21 -1.54 3.99 4.07 -1.25 -4.45 120.64 121.60 1a57 n GLU 62 Ca -0.05 -1.46 -0.35 0.00 -0.06 0.00 0.00 57.16 55.25 1a57 n GLU 62 Cb 0.66 0.20 -0.06 0.00 -0.06 0.00 0.00 31.44 32.19 1a57 n GLU 62 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1a57 n LEU 63 N -1.21 1.83 -4.34 4.31 4.32 -1.10 -4.32 117.00 116.49 1a57 n LEU 63 Ca -0.16 -0.48 -0.45 0.00 -0.02 0.00 0.00 56.01 54.89 1a57 n LEU 63 Cb 0.85 -1.45 -0.06 0.00 -1.62 0.00 0.00 43.42 41.14 1a57 n LEU 63 CO -0.13 -1.52 0.13 -0.89 -1.22 0.00 0.00 177.39 173.76 1a57 s THR 64 N 11.67 5.18 0.00 -5.08 2.01 -1.14 -3.06 115.64 125.23 1a57 s THR 64 Ca 1.05 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 61.73 1a57 s THR 64 Cb -0.38 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 67.85 1a57 s THR 64 CO 0.29 -0.80 0.00 0.61 -0.69 0.00 0.00 174.62 174.03 1a57 n GLY 65 N 5.24 1.47 2.99 4.40 0.00 -0.57 -3.98 105.19 114.73 1a57 n GLY 65 Ca -0.13 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.59 0.27 -0.28 2.61 -1.32 -1.26 -0.82 115.64 112.25 1a57 s THR 66 Ca 0.00 -0.77 0.02 0.00 -1.21 0.00 0.00 61.69 59.72 1a57 s THR 66 Cb 0.00 -0.35 0.08 0.00 -1.51 0.00 0.00 72.50 70.72 1a57 s THR 66 CO 0.00 -0.33 0.01 0.26 -2.21 0.00 0.00 174.62 172.35 1a57 s TRP 67 N -1.10 2.71 -1.06 9.09 0.23 -1.23 -3.42 118.94 124.17 1a57 s TRP 67 Ca -0.10 -2.16 -0.05 0.00 -2.03 0.00 0.00 56.10 51.76 1a57 s TRP 67 Cb -0.08 -2.03 0.29 0.00 0.03 0.00 0.00 33.47 31.68 1a57 s TRP 67 CO -0.00 -0.86 1.30 0.25 0.96 0.00 0.00 176.95 178.60 1a57 n THR 68 N 4.57 4.83 -1.52 2.01 -2.24 -1.07 -4.04 114.28 116.82 1a57 n THR 68 Ca -0.05 -5.70 -0.35 0.00 -2.27 0.00 0.00 64.05 55.68 1a57 n THR 68 Cb 0.43 -2.24 -0.10 0.00 -2.10 0.00 0.00 70.33 66.32 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 1.72 0.44 0.13 -0.78 1.56 -1.26 -4.49 117.12 114.44 1a57 n MET 69 Ca 0.25 -0.07 0.07 0.00 -0.27 0.00 0.00 57.70 57.69 1a57 n MET 69 Cb 0.35 -2.37 0.03 0.00 2.15 0.00 0.00 33.22 33.38 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 14.93 0.00 0.00 2.12 4.81 -1.93 -3.48 114.58 131.04 1a57 h GLU 70 Ca -0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1a57 h GLU 70 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1a57 h GLU 70 CO 1.29 0.19 0.00 0.41 -0.73 0.00 0.00 179.01 180.17 1a57 n GLY 71 N 1.22 2.41 2.44 1.92 0.00 -1.26 -4.89 105.19 107.02 1a57 n GLY 71 Ca -0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.58 -1.48 1.61 3.02 -1.26 -4.95 115.26 106.61 1a57 n ASN 72 Ca 0.00 0.14 -0.02 0.00 -0.03 0.00 0.00 54.58 54.67 1a57 n ASN 72 Cb 0.00 -4.68 -0.01 0.00 -0.61 0.00 0.00 39.78 34.49 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 -2.75 0.62 -2.21 3.52 5.02 -1.26 -3.73 118.16 117.36 1a57 n LYS 73 Ca -0.22 -0.25 -0.02 0.00 -2.02 0.00 0.00 58.31 55.80 1a57 n LYS 73 Cb 0.67 0.16 0.08 0.00 -0.02 0.00 0.00 35.03 35.92 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 -1.02 -4.77 -0.35 4.77 0.45 -4.57 117.00 111.51 1a57 n LEU 74 Ca -0.00 -2.49 -0.37 0.00 -0.03 0.00 0.00 56.01 53.13 1a57 n LEU 74 Cb 0.04 0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1a57 n LEU 74 CO 0.02 1.49 0.82 -0.69 -1.33 0.00 0.00 177.39 177.70 1a57 s VAL 75 N 0.08 3.14 -2.84 4.08 1.01 -1.26 -4.15 120.40 120.46 1a57 s VAL 75 Ca 0.06 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1a57 s VAL 75 Cb 0.29 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1a57 s VAL 75 CO -0.08 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1a57 n GLY 76 N 0.41 0.00 0.00 4.51 0.00 -1.26 -2.58 105.19 106.27 1a57 n GLY 76 Ca 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.14 1.61 4.81 -1.22 -4.72 118.16 114.50 1a57 n LYS 77 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1a57 n LYS 77 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 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 2.65 -0.09 5.64 0.40 -1.26 -3.83 117.98 121.49 1a57 s PHE 78 Ca 0.00 -0.45 -0.31 0.00 -0.60 0.00 0.00 56.93 55.57 1a57 s PHE 78 Cb 0.00 -1.71 0.09 0.00 0.51 0.00 0.00 43.02 41.91 1a57 s PHE 78 CO 0.00 0.31 0.78 0.21 0.70 0.00 0.00 175.22 177.22 1a57 s LYS 79 N -3.84 0.91 -1.11 0.44 2.20 -1.26 -0.16 119.74 116.92 1a57 s LYS 79 Ca 0.38 0.23 -0.06 0.00 -0.36 0.00 0.00 55.97 56.16 1a57 s LYS 79 Cb -0.00 0.43 0.29 0.00 -1.51 0.00 0.00 37.83 37.04 1a57 s LYS 79 CO 0.22 -0.28 1.43 2.89 -0.36 0.00 0.00 175.35 179.25 1a57 n ARG 80 N 0.86 4.20 -0.18 4.03 1.85 0.19 -2.71 116.66 124.89 1a57 n ARG 80 Ca -0.16 -4.44 0.00 0.00 -1.00 0.00 0.00 57.85 52.25 1a57 n ARG 80 Cb 0.57 -2.56 0.03 0.00 -1.05 0.00 0.00 32.46 29.45 1a57 n ARG 80 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1a57 n VAL 81 N 1.83 -0.24 -0.13 8.89 0.31 -1.26 0.17 118.33 127.90 1a57 n VAL 81 Ca 0.27 1.13 0.23 0.00 -0.01 0.00 0.00 64.34 65.97 1a57 n VAL 81 Cb 0.35 -1.52 0.66 0.00 -0.91 0.00 0.00 33.84 32.42 1a57 n VAL 81 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1a57 h ASP 82 N 0.00 0.09 0.00 4.52 5.19 -1.92 -3.43 116.42 120.87 1a57 h ASP 82 Ca 0.19 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1a57 h ASP 82 Cb 0.31 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1a57 h ASP 82 CO -0.49 0.04 0.00 -0.46 -3.12 0.00 0.00 179.24 175.21 1a57 n ASN 83 N -4.36 0.00 -0.03 6.45 6.94 0.25 -4.99 115.26 119.53 1a57 n ASN 83 Ca 0.15 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.63 1a57 n ASN 83 Cb 0.77 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 38.05 1a57 n ASN 83 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a57 n GLY 84 N 0.00 -1.00 7.00 4.83 0.00 0.44 -5.02 105.19 111.44 1a57 n GLY 84 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.02 0.00 -1.51 1.61 3.00 0.63 -4.72 118.16 114.16 1a57 n LYS 85 Ca -0.18 0.00 -0.47 0.00 -0.00 0.00 0.00 58.31 57.66 1a57 n LYS 85 Cb 1.06 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 36.07 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 -0.33 0.74 -2.70 1.64 4.71 -1.26 0.54 120.64 123.98 1a57 n GLU 86 Ca 0.00 0.26 -0.06 0.00 -0.01 0.00 0.00 57.16 57.35 1a57 n GLU 86 Cb 0.00 -1.49 0.07 0.00 -1.01 0.00 0.00 31.44 29.01 1a57 n GLU 86 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1a57 n LEU 87 N 1.62 0.14 -4.51 -4.62 4.77 0.77 -4.09 117.00 111.08 1a57 n LEU 87 Ca 0.14 -3.48 -0.29 0.00 -0.03 0.00 0.00 56.01 52.35 1a57 n LEU 87 Cb 0.28 0.28 0.24 0.00 -2.33 0.00 0.00 43.42 41.89 1a57 n LEU 87 CO 0.58 1.60 0.54 -0.63 -1.33 0.00 0.00 177.39 178.15 1a57 s ILE 88 N -1.88 1.79 -0.43 -0.08 1.01 -1.15 -4.18 121.20 116.28 1a57 s ILE 88 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 60.65 60.97 1a57 s ILE 88 Cb 0.42 -2.24 0.28 0.00 0.01 0.00 0.00 42.46 40.94 1a57 s ILE 88 CO -0.03 0.00 0.63 0.00 0.00 0.00 0.00 174.94 175.54 1a57 n ALA 89 N -4.88 2.68 -1.76 9.38 0.00 -1.26 -3.00 120.51 121.67 1a57 n ALA 89 Ca 0.07 -3.66 -0.43 0.00 0.00 0.00 0.00 53.44 49.41 1a57 n ALA 89 Cb 0.57 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.89 3.19 -0.00 0.00 1.01 -0.19 -4.41 120.40 118.11 1a57 s VAL 90 Ca 0.38 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.28 1a57 s VAL 90 Cb 0.22 -3.25 0.09 0.00 0.00 0.00 0.00 36.38 33.44 1a57 s VAL 90 CO -0.09 -0.15 0.80 -0.60 0.00 0.00 0.00 175.10 175.06 1a57 s ARG 91 N 6.00 0.93 -0.26 2.72 6.06 -1.26 -2.71 118.95 130.43 1a57 s ARG 91 Ca 0.92 -0.16 -0.19 0.00 -2.50 0.00 0.00 55.73 53.80 1a57 s ARG 91 Cb -0.29 0.43 0.07 0.00 0.06 0.00 0.00 34.95 35.22 1a57 s ARG 91 CO 0.35 -0.37 0.66 -1.83 -2.50 0.00 0.00 175.30 171.61 1a57 s GLU 92 N -2.56 0.73 -0.66 5.12 -1.05 -1.26 0.17 118.70 119.18 1a57 s GLU 92 Ca -0.00 1.06 -0.39 0.00 -0.15 0.00 0.00 54.97 55.48 1a57 s GLU 92 Cb -0.01 0.25 -0.20 0.00 -0.44 0.00 0.00 34.13 33.73 1a57 s GLU 92 CO -0.05 -0.12 2.30 -0.89 0.95 0.00 0.00 175.26 177.45 1a57 n ILE 93 N 3.53 0.00 0.07 1.83 -0.00 -1.24 -4.72 119.36 118.82 1a57 n ILE 93 Ca -0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.45 1a57 n ILE 93 Cb 0.57 -0.49 -0.08 0.00 -0.00 0.00 0.00 39.64 39.63 1a57 n ILE 93 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 1a57 h SER 94 N 9.88 -0.11 0.00 4.38 0.87 -1.56 -3.45 113.55 123.56 1a57 h SER 94 Ca -0.08 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1a57 h SER 94 Cb 1.37 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1a57 h SER 94 CO 1.18 0.09 0.00 0.61 -0.53 0.00 0.00 176.83 178.17 1a57 n GLY 95 N -0.68 -1.23 3.32 5.77 0.00 -1.26 -4.93 105.19 106.18 1a57 n GLY 95 Ca -0.08 0.95 -0.24 0.00 0.00 0.00 0.00 46.02 46.65 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 -5.82 0.00 1.61 3.02 -1.26 -4.88 115.26 107.92 1a57 n ASN 96 Ca 0.00 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 1a57 n ASN 96 Cb 0.00 -4.67 0.00 0.00 -0.61 0.00 0.00 39.78 34.50 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1a57 n GLU 97 N -4.36 -2.86 -3.77 3.52 -0.00 -1.26 -4.36 120.64 107.53 1a57 n GLU 97 Ca -0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.16 56.96 1a57 n GLU 97 Cb 0.58 0.00 -0.16 0.00 -0.00 0.00 0.00 31.44 31.87 1a57 n GLU 97 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1a57 s LEU 98 N 0.00 1.09 0.00 -1.84 0.20 -1.26 -1.29 118.68 115.58 1a57 s LEU 98 Ca 0.00 0.08 0.00 0.00 0.69 0.00 0.00 54.13 54.90 1a57 s LEU 98 Cb 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 46.19 45.76 1a57 s LEU 98 CO 0.00 -0.12 0.00 -0.38 -0.29 0.00 0.00 176.35 175.56 1a57 n ILE 99 N 4.11 0.00 0.00 6.68 5.41 -1.26 -2.44 119.36 131.85 1a57 n ILE 99 Ca -0.27 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.48 1a57 n ILE 99 Cb 0.51 -0.18 0.00 0.00 -0.71 0.00 0.00 39.64 39.26 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 -2.61 0.38 6.02 -1.23 -3.53 117.38 116.41 1a57 n GLN 100 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1a57 n GLN 100 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 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 0.00 3.96 0.03 5.09 2.01 -1.10 -2.75 115.64 122.87 1a57 s THR 101 Ca 0.00 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 1a57 s THR 101 Cb 0.00 -4.98 -0.07 0.00 0.01 0.00 0.00 72.50 67.47 1a57 s THR 101 CO 0.00 -1.85 1.50 -0.31 -0.69 0.00 0.00 174.62 173.27 1a57 s TYR 102 N 4.94 2.68 -1.07 4.92 2.02 0.11 -1.02 117.35 129.94 1a57 s TYR 102 Ca 0.40 0.62 -0.06 0.00 -0.37 0.00 0.00 57.07 57.66 1a57 s TYR 102 Cb -0.04 -3.78 0.28 0.00 -0.40 0.00 0.00 41.96 38.02 1a57 s TYR 102 CO -0.02 -3.00 1.17 2.41 -1.57 0.00 0.00 175.55 174.54 1a57 n THR 103 N 4.69 4.56 -3.25 -0.71 -1.04 -1.16 0.42 114.28 117.79 1a57 n THR 103 Ca 0.14 -5.51 -0.43 0.00 -2.04 0.00 0.00 64.05 56.21 1a57 n THR 103 Cb 0.42 -2.41 -0.08 0.00 -1.82 0.00 0.00 70.33 66.45 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 -1.76 3.13 -1.40 -1.42 6.14 0.44 -3.91 117.35 118.57 1a57 s TYR 104 Ca 0.31 -0.35 -0.12 0.00 0.64 0.00 0.00 57.07 57.55 1a57 s TYR 104 Cb -0.05 -3.11 0.10 0.00 0.42 0.00 0.00 41.96 39.32 1a57 s TYR 104 CO -0.03 -0.79 0.60 0.39 0.64 0.00 0.00 175.55 176.36 1a57 n GLU 105 N 5.83 -3.49 0.00 4.97 1.02 -1.26 0.25 120.64 127.95 1a57 n GLU 105 Ca -0.06 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1a57 n GLU 105 Cb 0.47 -5.18 0.00 0.00 -0.02 0.00 0.00 31.44 26.71 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 -1.26 0.87 3.74 0.62 0.00 -1.26 -5.05 105.19 102.86 1a57 n GLY 106 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.24 5.31 -1.24 1.61 1.01 0.14 -5.01 120.40 119.96 1a57 s VAL 107 Ca 0.00 0.52 -0.09 0.00 0.00 0.00 0.00 61.98 62.41 1a57 s VAL 107 Cb 0.00 -3.61 0.19 0.00 0.00 0.00 0.00 36.38 32.95 1a57 s VAL 107 CO 0.00 0.42 1.75 -0.62 0.00 0.00 0.00 175.10 176.64 1a57 n GLU 108 N 3.38 3.67 -2.97 2.72 1.02 -1.26 -0.42 120.64 126.79 1a57 n GLU 108 Ca -0.13 -3.71 -0.43 0.00 -0.02 0.00 0.00 57.16 52.87 1a57 n GLU 108 Cb 0.52 -2.89 -0.05 0.00 -0.02 0.00 0.00 31.44 29.00 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 0.20 3.24 -0.01 0.62 0.00 0.17 -4.82 121.76 121.16 1a57 s ALA 109 Ca 0.39 -1.62 -0.00 0.00 0.00 0.00 0.00 51.96 50.72 1a57 s ALA 109 Cb 0.07 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1a57 s ALA 109 CO 0.01 -2.35 0.06 -1.59 0.00 0.00 0.00 175.76 171.89 1a57 s LYS 110 N 3.45 3.01 -0.13 0.00 -2.85 -1.26 0.10 119.74 122.05 1a57 s LYS 110 Ca 0.22 -0.51 -0.00 0.00 -1.00 0.00 0.00 55.97 54.68 1a57 s LYS 110 Cb -0.17 -2.82 0.03 0.00 -2.06 0.00 0.00 37.83 32.81 1a57 s LYS 110 CO 0.14 0.64 -0.08 1.03 0.10 0.00 0.00 175.35 177.18 1a57 s ARG 111 N -1.68 1.63 0.18 1.78 0.52 -1.11 -4.95 118.95 115.31 1a57 s ARG 111 Ca 0.22 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 54.79 1a57 s ARG 111 Cb -0.12 -1.73 -0.07 0.00 0.52 0.00 0.00 34.95 33.55 1a57 s ARG 111 CO 0.13 -0.29 0.98 0.96 0.02 0.00 0.00 175.30 177.10 1a57 s ILE 112 N 1.66 4.21 0.37 1.52 -4.36 -1.26 -3.57 121.20 119.78 1a57 s ILE 112 Ca 0.04 2.00 0.02 0.00 -0.26 0.00 0.00 60.65 62.45 1a57 s ILE 112 Cb -0.13 -4.28 -0.01 0.00 1.25 0.00 0.00 42.46 39.30 1a57 s ILE 112 CO -0.09 0.39 0.06 0.49 0.24 0.00 0.00 174.94 176.03 1a57 n PHE 113 N 2.17 0.51 0.00 1.37 3.72 -1.02 -5.00 117.46 119.20 1a57 n PHE 113 Ca 0.01 -2.11 0.00 0.00 -0.05 0.00 0.00 57.45 55.29 1a57 n PHE 113 Cb 0.48 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 -0.89 0.00 -0.25 -1.08 -0.00 -1.25 -4.08 118.16 110.61 1a57 n LYS 114 Ca -0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.12 1a57 n LYS 114 Cb 0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.48 1a57 n LYS 114 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1a57 h LYS 115 N 0.00 -0.06 0.00 -1.58 3.64 -1.90 0.32 116.57 116.99 1a57 h LYS 115 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a57 h LYS 115 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1a57 h LYS 115 CO 0.00 -0.04 0.00 -1.91 -2.27 0.00 0.00 179.45 175.23