#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a57 h PHE 2 N 0.00 0.30 -0.01 0.00 -1.00 -1.90 -3.44 116.94 110.89 1a57 h PHE 2 Ca 0.00 -0.18 -0.30 0.00 2.81 0.00 0.00 57.97 60.30 1a57 h PHE 2 Cb 0.00 -0.03 -0.10 0.00 3.61 0.00 0.00 35.95 39.43 1a57 h PHE 2 CO 0.00 1.02 1.82 -0.40 -1.61 0.00 0.00 178.31 179.14 1a57 n ASP 3 N -3.62 -1.39 0.00 2.17 5.68 -1.20 -4.56 116.55 113.63 1a57 n ASP 3 Ca -0.04 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.55 1a57 n ASP 3 Cb 0.84 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 5.44 3.08 3.56 6.12 0.00 -0.75 -4.99 105.19 117.65 1a57 n GLY 4 Ca 0.59 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.74 2.08 0.05 2.61 -4.23 -1.26 -4.21 115.64 108.94 1a57 s THR 5 Ca 0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1a57 s THR 5 Cb 0.00 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 1a57 s THR 5 CO 0.00 -0.03 -0.03 0.26 -0.54 0.00 0.00 174.62 174.27 1a57 s TRP 6 N -2.55 0.54 0.15 3.99 0.52 0.15 -4.51 118.94 117.23 1a57 s TRP 6 Ca 0.68 -0.98 0.00 0.00 0.02 0.00 0.00 56.10 55.81 1a57 s TRP 6 Cb -0.24 -0.38 0.00 0.00 -1.15 0.00 0.00 33.47 31.70 1a57 s TRP 6 CO 0.62 -0.33 0.00 1.63 0.02 0.00 0.00 176.95 178.89 1a57 n LYS 7 N 0.28 -1.35 -0.16 4.98 5.02 0.22 -2.67 118.16 124.47 1a57 n LYS 7 Ca -0.15 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1a57 n LYS 7 Cb 0.60 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.33 0.00 -3.06 -0.18 0.31 -1.26 -4.74 118.33 107.07 1a57 n VAL 8 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 1a57 n VAL 8 Cb 0.30 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 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 1.29 5.71 -2.71 4.52 8.00 -1.26 -4.71 116.55 127.39 1a57 n ASP 9 Ca 0.00 -3.15 -0.04 0.00 0.71 0.00 0.00 54.79 52.31 1a57 n ASP 9 Cb 0.00 -1.39 0.03 0.00 -0.02 0.00 0.00 41.12 39.74 1a57 n ASP 9 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1a57 n ARG 10 N 2.87 0.33 0.00 -1.24 0.63 -1.26 -5.01 116.66 112.98 1a57 n ARG 10 Ca 0.28 -1.30 0.00 0.00 -0.92 0.00 0.00 57.85 55.91 1a57 n ARG 10 Cb 0.37 -0.63 0.00 0.00 0.45 0.00 0.00 32.46 32.65 1a57 n ARG 10 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1a57 n ASN 11 N 2.47 4.14 -3.30 6.15 6.94 -1.26 -4.94 115.26 125.46 1a57 n ASN 11 Ca 0.12 -0.06 -0.27 0.00 -0.02 0.00 0.00 54.58 54.36 1a57 n ASN 11 Cb 0.62 0.94 0.02 0.00 -2.36 0.00 0.00 39.78 39.00 1a57 n ASN 11 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1a57 n GLU 12 N -1.35 -1.43 0.00 -3.83 0.28 -1.26 -4.43 120.64 108.61 1a57 n GLU 12 Ca 0.00 0.90 0.00 0.00 -0.16 0.00 0.00 57.16 57.90 1a57 n GLU 12 Cb 0.00 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.16 1a57 n GLU 12 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1a57 n ASN 13 N -0.95 -1.48 -4.49 -1.84 5.03 -1.26 -3.75 115.26 106.52 1a57 n ASN 13 Ca -0.16 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 54.85 1a57 n ASN 13 Cb 0.57 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.31 1a57 n ASN 13 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1a57 s TYR 14 N 0.00 3.10 0.00 3.10 2.02 -1.26 -4.46 117.35 119.85 1a57 s TYR 14 Ca 0.00 -1.56 0.01 0.00 -0.37 0.00 0.00 57.07 55.15 1a57 s TYR 14 Cb 0.00 -4.41 0.01 0.00 -0.40 0.00 0.00 41.96 37.16 1a57 s TYR 14 CO 0.00 -1.57 0.68 -1.13 -1.57 0.00 0.00 175.55 171.96 1a57 n SER 15 N 6.87 -0.23 -4.39 2.29 3.41 -1.25 -5.12 113.62 115.20 1a57 n SER 15 Ca 0.32 -1.36 -0.30 0.00 -0.26 0.00 0.00 58.87 57.28 1a57 n SER 15 Cb 0.47 0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 1a57 n SER 15 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a57 s GLY 16 N -0.38 1.50 0.00 5.00 0.00 -1.26 -5.03 107.32 107.14 1a57 s GLY 16 Ca 0.01 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1a57 s GLY 16 CO -0.00 -1.22 0.00 0.00 0.00 0.00 0.00 173.10 171.87 1a57 n ALA 17 N 1.47 2.29 -0.02 3.20 0.00 -1.26 -4.93 120.51 121.26 1a57 n ALA 17 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1a57 n ALA 17 Cb 0.52 0.47 -0.00 0.00 0.00 0.00 0.00 19.45 20.44 1a57 n ALA 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1a57 h HIS 18 N 0.00 0.00 -2.68 0.00 2.76 -1.95 -3.46 115.15 109.82 1a57 h HIS 18 Ca 0.00 0.00 0.32 0.00 -2.20 0.00 0.00 60.37 58.49 1a57 h HIS 18 Cb 0.94 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.82 1a57 h HIS 18 CO 0.00 0.00 -0.42 -0.25 -1.30 0.00 0.00 177.93 175.96 1a57 n ASP 19 N -2.96 -7.18 0.00 3.26 8.00 -1.26 -4.82 116.55 111.59 1a57 n ASP 19 Ca -0.02 1.25 0.00 0.00 0.71 0.00 0.00 54.79 56.73 1a57 n ASP 19 Cb 0.07 -3.52 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 1a57 n ASP 19 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1a57 n ASN 20 N -3.69 0.00 -3.71 -2.24 2.85 -1.26 -4.96 115.26 102.26 1a57 n ASN 20 Ca 0.01 0.02 -0.03 0.00 -0.11 0.00 0.00 54.58 54.47 1a57 n ASN 20 Cb 0.53 -0.27 -0.01 0.00 1.24 0.00 0.00 39.78 41.27 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 -3.96 -0.15 0.00 1.20 0.05 -1.26 -4.42 118.68 110.14 1a57 s LEU 21 Ca 0.00 -0.40 0.00 0.00 0.05 0.00 0.00 54.13 53.78 1a57 s LEU 21 Cb 0.00 2.07 0.00 0.00 -2.05 0.00 0.00 46.19 46.21 1a57 s LEU 21 CO 0.00 -0.85 0.00 2.29 -0.55 0.00 0.00 176.35 177.24 1a57 n LYS 22 N -0.49 0.00 -4.03 1.48 2.85 -1.26 -4.70 118.16 112.01 1a57 n LYS 22 Ca -0.06 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.96 1a57 n LYS 22 Cb 0.61 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.92 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 3.15 0.00 -5.58 1.43 -1.09 -3.67 118.68 112.92 1a57 s LEU 23 Ca 0.00 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1a57 s LEU 23 Cb 0.00 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.69 1a57 s LEU 23 CO 0.00 -0.58 0.00 0.41 0.23 0.00 0.00 176.35 176.41 1a57 n THR 24 N -1.31 0.00 -0.90 5.49 -1.04 -1.26 0.30 114.28 115.56 1a57 n THR 24 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1a57 n THR 24 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 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 -0.84 -3.45 -2.75 12.58 -0.00 -1.26 -3.36 119.36 120.28 1a57 n ILE 25 Ca 0.00 1.28 -0.04 0.00 -0.00 0.00 0.00 62.75 63.99 1a57 n ILE 25 Cb 0.00 -2.23 0.01 0.00 -0.00 0.00 0.00 39.64 37.42 1a57 n ILE 25 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1a57 s THR 26 N -1.42 -0.87 0.60 1.39 2.01 -1.26 -1.81 115.64 114.29 1a57 s THR 26 Ca 0.00 -0.86 -0.20 0.00 0.31 0.00 0.00 61.69 60.95 1a57 s THR 26 Cb 0.00 0.00 -0.03 0.00 0.01 0.00 0.00 72.50 72.48 1a57 s THR 26 CO 0.00 0.00 1.33 0.00 -0.69 0.00 0.00 174.62 175.26 1a57 s GLN 27 N 0.91 2.80 -0.64 4.92 0.00 -1.26 -4.82 119.66 121.56 1a57 s GLN 27 Ca 0.29 2.16 0.02 0.00 -0.00 0.00 0.00 55.36 57.83 1a57 s GLN 27 Cb 0.02 -2.03 0.16 0.00 0.00 0.00 0.00 33.01 31.16 1a57 s GLN 27 CO -0.06 -1.44 0.43 -1.21 0.00 0.00 0.00 175.29 173.02 1a57 s GLU 28 N -3.17 2.42 5.87 9.60 2.02 0.12 -4.93 118.70 130.64 1a57 s GLU 28 Ca 0.78 -2.87 0.00 0.00 0.02 0.00 0.00 54.97 52.90 1a57 s GLU 28 Cb -0.39 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.30 1a57 s GLU 28 CO 0.44 -1.19 0.00 0.41 0.02 0.00 0.00 175.26 174.94 1a57 n GLY 29 N 2.81 0.52 2.74 -1.39 0.00 -1.26 -3.29 105.19 105.33 1a57 n GLY 29 Ca 0.12 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 6.81 7.44 -3.68 1.61 5.03 -1.26 -4.86 115.26 126.35 1a57 n ASN 30 Ca 0.00 -3.72 -0.13 0.00 0.87 0.00 0.00 54.58 51.59 1a57 n ASN 30 Cb 0.00 -1.14 -0.13 0.00 -1.02 0.00 0.00 39.78 37.49 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1a57 s LYS 31 N -4.10 0.16 0.42 3.52 2.20 -1.21 -3.46 119.74 117.28 1a57 s LYS 31 Ca 0.45 0.70 0.06 0.00 -0.36 0.00 0.00 55.97 56.82 1a57 s LYS 31 Cb 0.29 -0.06 -0.07 0.00 -1.51 0.00 0.00 37.83 36.49 1a57 s LYS 31 CO -0.24 -0.25 0.02 -0.06 -0.36 0.00 0.00 175.35 174.46 1a57 s PHE 32 N 2.13 2.44 -0.27 4.03 0.40 -0.82 -0.70 117.98 125.18 1a57 s PHE 32 Ca -0.01 -0.70 -0.14 0.00 -0.60 0.00 0.00 56.93 55.48 1a57 s PHE 32 Cb -0.12 -1.77 0.09 0.00 0.51 0.00 0.00 43.02 41.73 1a57 s PHE 32 CO -0.09 0.40 0.64 -0.08 0.70 0.00 0.00 175.22 176.79 1a57 s THR 33 N -2.72 -0.20 0.01 0.64 -1.32 -1.26 -2.31 115.64 108.47 1a57 s THR 33 Ca 0.32 0.02 -0.01 0.00 -1.21 0.00 0.00 61.69 60.80 1a57 s THR 33 Cb 0.08 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 70.09 1a57 s THR 33 CO 0.17 0.01 0.15 -0.69 -2.21 0.00 0.00 174.62 172.04 1a57 s VAL 34 N 1.87 5.17 -0.48 5.08 1.01 -0.90 -3.98 120.40 128.17 1a57 s VAL 34 Ca -0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 1a57 s VAL 34 Cb -0.07 -3.43 0.12 0.00 0.00 0.00 0.00 36.38 33.00 1a57 s VAL 34 CO -0.19 0.29 2.60 1.17 0.00 0.00 0.00 175.10 178.97 1a57 n LYS 35 N 0.86 2.37 -2.01 2.72 4.81 -1.26 -3.12 118.16 122.53 1a57 n LYS 35 Ca -0.10 -2.39 -0.26 0.00 -0.87 0.00 0.00 58.31 54.69 1a57 n LYS 35 Cb 0.52 -2.10 -0.05 0.00 0.02 0.00 0.00 35.03 33.42 1a57 n LYS 35 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1a57 s GLU 36 N -2.00 2.47 -0.10 1.64 2.02 -1.26 -4.02 118.70 117.44 1a57 s GLU 36 Ca 0.55 -0.36 -0.23 0.00 0.02 0.00 0.00 54.97 54.95 1a57 s GLU 36 Cb 0.38 -5.07 -0.03 0.00 0.10 0.00 0.00 34.13 29.51 1a57 s GLU 36 CO -0.21 -3.56 0.71 -1.12 0.02 0.00 0.00 175.26 171.10 1a57 s SER 37 N 8.01 6.94 0.03 -0.19 0.01 -1.24 -4.41 113.70 122.86 1a57 s SER 37 Ca 0.71 1.13 0.00 0.00 1.31 0.00 0.00 55.95 59.11 1a57 s SER 37 Cb -0.06 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1a57 s SER 37 CO 0.02 -0.18 0.00 -0.24 0.41 0.00 0.00 173.24 173.25 1a57 n SER 38 N 4.20 0.00 -0.22 2.44 2.88 0.36 -4.59 113.62 118.69 1a57 n SER 38 Ca -0.00 -0.20 0.11 0.00 -1.33 0.00 0.00 58.87 57.45 1a57 n SER 38 Cb 0.51 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.05 1a57 n SER 38 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a57 n ASN 39 N -0.59 1.27 -0.03 -3.46 3.02 -1.26 -4.41 115.26 109.79 1a57 n ASN 39 Ca 0.00 -1.02 -0.02 0.00 -0.03 0.00 0.00 54.58 53.50 1a57 n ASN 39 Cb 0.00 0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 39.68 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 -0.83 0.30 -2.47 3.10 3.01 -1.26 -5.09 117.46 114.23 1a57 n PHE 40 Ca 0.08 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1a57 n PHE 40 Cb 0.38 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1a57 n PHE 40 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1a57 n ARG 41 N -3.24 0.00 0.02 -1.08 0.00 -1.26 -4.97 116.66 106.13 1a57 n ARG 41 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.80 1a57 n ARG 41 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.59 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 0.00 -0.06 -3.88 2.89 2.35 -1.88 -2.14 115.58 112.86 1a57 h ASN 42 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a57 h ASN 42 Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1a57 h ASN 42 CO 0.00 0.05 -0.10 0.00 -1.65 0.00 0.00 177.43 175.73 1a57 n ILE 43 N -2.76 -5.00 -3.03 2.81 3.06 -1.26 -0.49 119.36 112.69 1a57 n ILE 43 Ca -0.01 0.14 -0.32 0.00 -2.50 0.00 0.00 62.75 60.06 1a57 n ILE 43 Cb 0.03 -5.04 -0.05 0.00 0.54 0.00 0.00 39.64 35.12 1a57 n ILE 43 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 1a57 s ASP 44 N -1.98 6.67 -0.21 9.51 1.01 -1.26 -4.42 116.67 126.00 1a57 s ASP 44 Ca 0.05 1.21 0.01 0.00 0.71 0.00 0.00 52.55 54.54 1a57 s ASP 44 Cb -0.01 -2.35 0.03 0.00 1.01 0.00 0.00 42.92 41.60 1a57 s ASP 44 CO 0.29 -0.28 -0.16 0.54 0.21 0.00 0.00 175.17 175.77 1a57 s VAL 45 N -2.13 2.19 0.20 -1.27 0.11 -1.18 -5.00 120.40 113.32 1a57 s VAL 45 Ca 0.53 -1.10 0.09 0.00 -2.93 0.00 0.00 61.98 58.57 1a57 s VAL 45 Cb -0.10 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.68 1a57 s VAL 45 CO 0.23 0.37 -0.10 0.54 -3.33 0.00 0.00 175.10 172.81 1a57 s VAL 46 N 1.25 3.10 0.21 2.04 0.11 -1.26 -2.12 120.40 123.74 1a57 s VAL 46 Ca 0.01 -1.77 -0.21 0.00 -2.93 0.00 0.00 61.98 57.08 1a57 s VAL 46 Cb -0.15 -2.55 0.07 0.00 -1.53 0.00 0.00 36.38 32.22 1a57 s VAL 46 CO -0.10 -0.16 0.99 0.72 -3.33 0.00 0.00 175.10 173.22 1a57 s PHE 47 N -1.83 0.06 -0.64 1.54 -0.71 -0.98 -5.02 117.98 110.41 1a57 s PHE 47 Ca 0.26 -0.49 0.05 0.00 -1.04 0.00 0.00 56.93 55.71 1a57 s PHE 47 Cb -0.08 0.72 0.27 0.00 -1.21 0.00 0.00 43.02 42.72 1a57 s PHE 47 CO 0.15 -1.02 0.83 0.39 -1.34 0.00 0.00 175.22 174.23 1a57 n GLU 48 N -0.65 2.78 -1.97 1.99 1.02 -1.26 -1.95 120.64 120.60 1a57 n GLU 48 Ca -0.04 -4.72 -0.06 0.00 -0.02 0.00 0.00 57.16 52.32 1a57 n GLU 48 Cb 0.60 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 1a57 n GLU 48 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1a57 n LEU 49 N 0.58 -0.36 0.00 -4.62 7.94 -1.22 -4.03 117.00 115.28 1a57 n LEU 49 Ca 0.30 -0.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 1a57 n LEU 49 Cb 0.40 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 44.09 1a57 n LEU 49 CO 0.40 0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.32 1a57 n GLY 50 N -0.31 0.65 3.20 -3.96 0.00 -1.13 -4.89 105.19 98.75 1a57 n GLY 50 Ca -0.03 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.80 -0.54 0.40 1.61 1.01 -1.26 -5.05 120.40 115.77 1a57 s VAL 51 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1a57 s VAL 51 Cb 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 36.38 35.69 1a57 s VAL 51 CO 0.00 0.08 0.83 1.51 0.00 0.00 0.00 175.10 177.52 1a57 s ASP 52 N 2.46 6.71 -0.11 3.32 1.47 -1.26 -3.98 116.67 125.29 1a57 s ASP 52 Ca -0.02 1.37 -0.33 0.00 1.18 0.00 0.00 52.55 54.76 1a57 s ASP 52 Cb -0.12 -2.41 0.13 0.00 -0.34 0.00 0.00 42.92 40.17 1a57 s ASP 52 CO -0.12 -0.35 1.17 0.72 0.68 0.00 0.00 175.17 177.27 1a57 s PHE 53 N -2.23 -0.14 -0.07 2.11 -0.71 0.49 -4.96 117.98 112.47 1a57 s PHE 53 Ca 0.56 0.05 -0.02 0.00 -1.04 0.00 0.00 56.93 56.48 1a57 s PHE 53 Cb -0.10 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.21 1a57 s PHE 53 CO 0.22 -0.30 0.03 0.00 -1.34 0.00 0.00 175.22 173.84 1a57 s ALA 54 N -2.57 3.41 -0.28 1.99 0.00 -1.26 -1.09 121.76 121.96 1a57 s ALA 54 Ca 0.10 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1a57 s ALA 54 Cb 0.00 -1.55 0.17 0.00 0.00 0.00 0.00 23.12 21.74 1a57 s ALA 54 CO -0.05 0.62 0.45 -0.47 0.00 0.00 0.00 175.76 176.31 1a57 s TYR 55 N -0.98 -1.19 -0.81 0.00 6.14 0.20 -4.97 117.35 115.74 1a57 s TYR 55 Ca 0.16 0.70 -0.25 0.00 0.64 0.00 0.00 57.07 58.31 1a57 s TYR 55 Cb -0.12 0.04 0.00 0.00 0.42 0.00 0.00 41.96 42.30 1a57 s TYR 55 CO 0.05 -0.94 1.64 -1.12 0.64 0.00 0.00 175.55 175.82 1a57 s SER 56 N 2.63 5.74 0.00 4.32 0.01 -1.26 -3.25 113.70 121.89 1a57 s SER 56 Ca 0.11 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1a57 s SER 56 Cb -0.13 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1a57 s SER 56 CO -0.26 -2.14 0.00 0.18 0.41 0.00 0.00 173.24 171.44 1a57 n LEU 57 N 11.33 0.00 -4.63 2.44 4.77 -1.26 -4.85 117.00 124.80 1a57 n LEU 57 Ca 0.24 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.92 1a57 n LEU 57 Cb 0.50 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.82 1a57 n LEU 57 CO 0.67 0.00 0.65 0.00 -1.33 0.00 0.00 177.39 177.38 1a57 s ALA 58 N -2.41 0.78 -1.48 -1.18 0.00 -1.26 -4.83 121.76 111.38 1a57 s ALA 58 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 1a57 s ALA 58 Cb 0.00 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1a57 s ALA 58 CO 0.00 -3.42 2.47 -3.47 0.00 0.00 0.00 175.76 171.35 1a57 n ASP 59 N -4.62 5.55 0.00 0.00 2.03 -1.26 -2.83 116.55 115.42 1a57 n ASP 59 Ca 0.13 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.71 1a57 n ASP 59 Cb 0.59 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a57 n GLY 60 N 3.93 0.81 3.34 0.27 0.00 -1.26 -5.16 105.19 107.11 1a57 n GLY 60 Ca 0.61 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 -2.68 2.61 -2.24 -1.13 -5.01 114.28 105.82 1a57 n THR 61 Ca 0.00 -0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.45 1a57 n THR 61 Cb 0.00 -0.64 0.08 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.17 0.91 -2.16 -0.78 2.13 -1.26 -4.44 120.64 112.87 1a57 n GLU 62 Ca 0.03 -1.44 -0.42 0.00 0.66 0.00 0.00 57.16 55.99 1a57 n GLU 62 Cb 0.59 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.27 1a57 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1a57 s LEU 63 N -2.92 4.33 -0.34 4.31 1.02 -1.20 -4.18 118.68 119.70 1a57 s LEU 63 Ca 0.16 2.21 0.01 0.00 0.02 0.00 0.00 54.13 56.53 1a57 s LEU 63 Cb 0.30 -3.56 0.10 0.00 0.02 0.00 0.00 46.19 43.05 1a57 s LEU 63 CO -0.07 -0.74 0.10 -0.89 0.02 0.00 0.00 176.35 174.76 1a57 s THR 64 N 2.29 1.51 0.00 5.49 2.01 -1.26 0.59 115.64 126.27 1a57 s THR 64 Ca 0.66 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.73 1a57 s THR 64 Cb -0.34 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.05 1a57 s THR 64 CO 0.28 -0.67 0.00 0.61 -0.69 0.00 0.00 174.62 174.15 1a57 n GLY 65 N 4.45 2.28 3.00 4.40 0.00 -0.25 -3.97 105.19 115.09 1a57 n GLY 65 Ca 0.01 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.88 0.11 -0.10 2.61 -1.32 -1.13 -0.38 115.64 112.56 1a57 s THR 66 Ca 0.00 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 1a57 s THR 66 Cb 0.00 -0.36 0.02 0.00 -1.51 0.00 0.00 72.50 70.65 1a57 s THR 66 CO 0.00 -0.52 -0.09 0.26 -2.21 0.00 0.00 174.62 172.06 1a57 s TRP 67 N -1.62 1.46 -0.33 9.09 0.23 -1.26 -2.35 118.94 124.16 1a57 s TRP 67 Ca -0.14 -0.68 -0.00 0.00 -2.03 0.00 0.00 56.10 53.25 1a57 s TRP 67 Cb -0.09 -1.18 0.11 0.00 0.03 0.00 0.00 33.47 32.35 1a57 s TRP 67 CO -0.01 -0.44 0.13 -0.08 0.96 0.00 0.00 176.95 177.50 1a57 s THR 68 N 1.41 0.86 0.24 2.01 -1.32 -0.69 -2.83 115.64 115.32 1a57 s THR 68 Ca -0.01 -1.59 -0.30 0.00 -1.21 0.00 0.00 61.69 58.59 1a57 s THR 68 Cb -0.13 -1.64 -0.09 0.00 -1.51 0.00 0.00 72.50 69.13 1a57 s THR 68 CO -0.05 -0.74 1.12 -0.32 -2.21 0.00 0.00 174.62 172.42 1a57 s MET 69 N 1.39 4.60 -0.06 7.08 1.75 -1.26 -3.70 119.30 129.10 1a57 s MET 69 Ca 0.12 1.80 -0.02 0.00 -1.25 0.00 0.00 55.69 56.33 1a57 s MET 69 Cb -0.19 -3.22 0.04 0.00 2.84 0.00 0.00 34.83 34.30 1a57 s MET 69 CO -0.20 0.12 0.10 -1.83 -0.65 0.00 0.00 175.02 172.56 1a57 s GLU 70 N -0.94 -0.03 1.53 4.11 4.04 -0.94 -4.96 118.70 121.50 1a57 s GLU 70 Ca 0.47 0.44 0.00 0.00 0.04 0.00 0.00 54.97 55.92 1a57 s GLU 70 Cb -0.31 -0.41 0.00 0.00 0.02 0.00 0.00 34.13 33.43 1a57 s GLU 70 CO 0.39 -0.31 0.00 0.41 -1.84 0.00 0.00 175.26 173.91 1a57 n GLY 71 N 5.24 0.47 2.56 -3.83 0.00 -1.26 0.18 105.19 108.54 1a57 n GLY 71 Ca -0.05 0.68 -0.22 0.00 0.00 0.00 0.00 46.02 46.43 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 4.49 3.65 -4.14 1.61 6.94 -1.26 -5.01 115.26 121.55 1a57 n ASN 72 Ca 0.00 -3.41 -0.09 0.00 -0.02 0.00 0.00 54.58 51.05 1a57 n ASN 72 Cb 0.00 -0.49 -0.10 0.00 -2.36 0.00 0.00 39.78 36.83 1a57 n ASN 72 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1a57 s LYS 73 N -3.38 0.76 -0.40 -3.83 1.02 0.47 -3.41 119.74 110.97 1a57 s LYS 73 Ca 0.42 -1.30 0.09 0.00 0.02 0.00 0.00 55.97 55.20 1a57 s LYS 73 Cb 0.41 -0.05 0.30 0.00 -0.52 0.00 0.00 37.83 37.96 1a57 s LYS 73 CO -0.12 -0.06 0.71 1.28 -0.92 0.00 0.00 175.35 176.25 1a57 n LEU 74 N 0.01 -0.14 -4.86 3.17 4.77 0.59 -2.20 117.00 118.33 1a57 n LEU 74 Ca -0.13 -4.58 -0.34 0.00 -0.03 0.00 0.00 56.01 50.94 1a57 n LEU 74 Cb 0.61 0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 42.37 1a57 n LEU 74 CO 0.29 2.16 0.18 -0.69 -1.33 0.00 0.00 177.39 178.00 1a57 s VAL 75 N -1.35 4.95 -3.65 4.08 1.01 -1.24 -3.64 120.40 120.55 1a57 s VAL 75 Ca 0.35 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1a57 s VAL 75 Cb 0.26 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1a57 s VAL 75 CO -0.10 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1a57 n GLY 76 N 0.46 -0.27 0.00 4.51 0.00 -1.26 -1.70 105.19 106.93 1a57 n GLY 76 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.90 1.61 0.00 -0.99 -4.74 118.16 112.14 1a57 n LYS 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1a57 n LYS 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1a57 n LYS 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1a57 n PHE 78 N -0.74 0.00 -0.85 5.64 3.01 -1.26 -2.82 117.46 120.44 1a57 n PHE 78 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1a57 n PHE 78 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1a57 n PHE 78 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1a57 n LYS 79 N 0.00 0.00 -2.99 -1.08 0.00 -1.25 -3.30 118.16 109.53 1a57 n LYS 79 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.33 1a57 n LYS 79 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 1a57 n LYS 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1a57 s ARG 80 N 3.30 0.48 0.31 1.64 3.52 -1.26 -3.26 118.95 123.68 1a57 s ARG 80 Ca 0.00 -0.14 0.25 0.00 -0.13 0.00 0.00 55.73 55.71 1a57 s ARG 80 Cb 0.00 0.06 1.00 0.00 -1.56 0.00 0.00 34.95 34.45 1a57 s ARG 80 CO 0.00 -0.70 0.98 0.28 -0.81 0.00 0.00 175.30 175.05 1a57 n VAL 81 N 4.08 -0.10 -0.10 7.11 0.31 -1.26 -0.05 118.33 128.32 1a57 n VAL 81 Ca 0.08 1.06 -0.05 0.00 -0.01 0.00 0.00 64.34 65.42 1a57 n VAL 81 Cb 0.60 -1.75 0.01 0.00 -0.91 0.00 0.00 33.84 31.80 1a57 n VAL 81 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1a57 h ASP 82 N 0.00 -0.25 0.00 4.52 1.82 -1.94 -3.36 116.42 117.21 1a57 h ASP 82 Ca 0.57 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 57.31 1a57 h ASP 82 Cb 2.03 0.19 0.00 0.00 0.68 0.00 0.00 39.33 42.23 1a57 h ASP 82 CO -0.18 -0.08 -0.39 0.59 -1.61 0.00 0.00 179.24 177.57 1a57 n ASN 83 N -5.24 0.34 -3.01 2.28 3.02 0.93 -4.99 115.26 108.59 1a57 n ASN 83 Ca 0.02 -2.06 -0.13 0.00 -0.03 0.00 0.00 54.58 52.37 1a57 n ASN 83 Cb 0.20 -0.21 0.07 0.00 -0.61 0.00 0.00 39.78 39.22 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 -0.20 -0.55 0.00 7.41 0.00 -1.01 -4.99 105.19 105.85 1a57 n GLY 84 Ca 0.02 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.28 0.00 -0.98 1.61 3.00 -1.23 -5.00 118.16 112.28 1a57 n LYS 85 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1a57 n LYS 85 Cb 0.62 -0.39 0.00 0.00 0.00 0.00 0.00 35.03 35.26 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 -0.45 0.00 -2.68 1.64 1.02 -1.26 -3.94 120.64 114.98 1a57 n GLU 86 Ca 0.00 0.33 -0.24 0.00 -0.02 0.00 0.00 57.16 57.23 1a57 n GLU 86 Cb 0.00 -0.65 -0.01 0.00 -0.02 0.00 0.00 31.44 30.76 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 0.00 3.95 0.00 -4.62 7.94 -1.21 -2.63 117.00 120.43 1a57 n LEU 87 Ca 0.00 -5.13 -0.24 0.00 -1.11 0.00 0.00 56.01 49.53 1a57 n LEU 87 Cb 0.00 -0.29 0.17 0.00 0.53 0.00 0.00 43.42 43.84 1a57 n LEU 87 CO 0.00 2.18 0.69 -0.38 -1.11 0.00 0.00 177.39 178.77 1a57 n ILE 88 N -0.31 0.00 -3.10 1.96 5.41 -1.23 -4.45 119.36 117.64 1a57 n ILE 88 Ca 0.32 -0.74 0.01 0.00 1.00 0.00 0.00 62.75 63.33 1a57 n ILE 88 Cb 0.61 -1.54 -0.01 0.00 -0.71 0.00 0.00 39.64 37.99 1a57 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1a57 s ALA 89 N -3.84 -2.69 -0.22 -1.39 0.00 -1.26 -2.12 121.76 110.24 1a57 s ALA 89 Ca 0.61 0.32 -0.27 0.00 0.00 0.00 0.00 51.96 52.63 1a57 s ALA 89 Cb -0.02 -2.78 -0.00 0.00 0.00 0.00 0.00 23.12 20.31 1a57 s ALA 89 CO 0.43 -2.27 0.92 0.08 0.00 0.00 0.00 175.76 174.93 1a57 s VAL 90 N 1.77 4.78 -0.04 0.00 1.01 -1.26 -4.56 120.40 122.10 1a57 s VAL 90 Ca 0.17 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.64 1a57 s VAL 90 Cb -0.02 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.26 1a57 s VAL 90 CO -0.08 -0.09 1.05 -0.60 0.00 0.00 0.00 175.10 175.38 1a57 s ARG 91 N 2.80 0.67 -0.16 2.72 6.06 -1.24 -3.79 118.95 126.02 1a57 s ARG 91 Ca 0.40 -0.29 -0.10 0.00 -2.50 0.00 0.00 55.73 53.24 1a57 s ARG 91 Cb -0.16 0.28 0.05 0.00 0.06 0.00 0.00 34.95 35.19 1a57 s ARG 91 CO 0.08 -0.30 0.39 -1.83 -2.50 0.00 0.00 175.30 171.14 1a57 s GLU 92 N -2.84 0.39 0.06 5.12 -1.05 -1.26 0.22 118.70 119.33 1a57 s GLU 92 Ca 0.09 0.71 -0.37 0.00 -0.15 0.00 0.00 54.97 55.25 1a57 s GLU 92 Cb -0.00 0.02 -0.17 0.00 -0.44 0.00 0.00 34.13 33.54 1a57 s GLU 92 CO -0.05 -0.14 1.37 1.51 0.95 0.00 0.00 175.26 178.90 1a57 n ILE 93 N 3.95 0.02 -0.00 1.83 0.13 -1.22 -4.78 119.36 119.29 1a57 n ILE 93 Ca -0.21 -0.00 -0.00 0.00 -1.10 0.00 0.00 62.75 61.43 1a57 n ILE 93 Cb 0.55 -0.85 -0.00 0.00 -0.84 0.00 0.00 39.64 38.50 1a57 n ILE 93 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1a57 h SER 94 N 4.75 -0.01 0.00 9.51 4.64 -1.91 -3.48 113.55 127.05 1a57 h SER 94 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1a57 h SER 94 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1a57 h SER 94 CO 0.79 0.09 -0.03 0.61 -0.87 0.00 0.00 176.83 177.42 1a57 n GLY 95 N 1.79 0.01 1.17 -0.77 0.00 -1.26 -4.91 105.19 101.22 1a57 n GLY 95 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1a57 n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a57 n ASN 96 N -2.83 0.36 -3.61 1.61 0.23 -1.26 -5.05 115.26 104.70 1a57 n ASN 96 Ca -0.00 -1.94 -0.01 0.00 -0.53 0.00 0.00 54.58 52.10 1a57 n ASN 96 Cb 0.01 -0.14 -0.04 0.00 -2.08 0.00 0.00 39.78 37.53 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1a57 s GLU 97 N 0.00 0.57 -0.21 -3.83 4.04 -1.26 -4.08 118.70 113.93 1a57 s GLU 97 Ca 0.19 1.41 -0.24 0.00 0.04 0.00 0.00 54.97 56.38 1a57 s GLU 97 Cb 0.22 0.84 -0.01 0.00 0.02 0.00 0.00 34.13 35.20 1a57 s GLU 97 CO -0.10 -0.23 0.79 -1.17 -1.84 0.00 0.00 175.26 172.71 1a57 s LEU 98 N 2.89 4.12 0.00 1.83 0.20 -1.26 -2.99 118.68 123.46 1a57 s LEU 98 Ca -0.04 1.04 0.00 0.00 0.69 0.00 0.00 54.13 55.82 1a57 s LEU 98 Cb -0.12 -3.14 0.00 0.00 -0.43 0.00 0.00 46.19 42.49 1a57 s LEU 98 CO -0.19 -0.44 0.14 -0.38 -0.29 0.00 0.00 176.35 175.19 1a57 n ILE 99 N 5.00 0.00 -0.01 6.68 5.41 -1.26 -4.27 119.36 130.91 1a57 n ILE 99 Ca 0.04 0.29 0.00 0.00 1.00 0.00 0.00 62.75 64.07 1a57 n ILE 99 Cb 0.48 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 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 -0.46 0.00 0.05 0.38 6.02 -1.26 -4.50 117.38 117.61 1a57 n GLN 100 Ca 0.00 0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.89 1a57 n GLN 100 Cb 0.00 -0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.12 1a57 n GLN 100 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1a57 h THR 101 N 0.00 1.39 -5.34 5.09 1.35 -1.88 -3.38 112.91 110.14 1a57 h THR 101 Ca 0.00 -3.09 0.00 0.00 -0.55 0.00 0.00 66.41 62.77 1a57 h THR 101 Cb 0.00 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1a57 h THR 101 CO 0.00 0.84 -0.01 -1.22 -0.25 0.00 0.00 175.52 174.88 1a57 n TYR 102 N -3.34 -2.96 -1.43 4.73 4.01 -1.26 -0.29 117.16 116.61 1a57 n TYR 102 Ca -0.08 1.13 -0.38 0.00 -0.16 0.00 0.00 57.90 58.41 1a57 n TYR 102 Cb 1.00 -4.09 -0.06 0.00 -0.31 0.00 0.00 39.34 35.87 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 -1.73 1.68 -3.04 -0.72 -1.04 -0.90 -3.64 114.28 104.88 1a57 n THR 103 Ca 0.00 -1.58 -0.42 0.00 -2.04 0.00 0.00 64.05 60.02 1a57 n THR 103 Cb 0.50 -2.24 -0.06 0.00 -1.82 0.00 0.00 70.33 66.71 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 7.53 3.19 -1.20 -1.42 6.14 -0.57 -3.57 117.35 127.45 1a57 s TYR 104 Ca 0.63 0.63 -0.03 0.00 0.64 0.00 0.00 57.07 58.93 1a57 s TYR 104 Cb 0.09 -3.12 0.00 0.00 0.42 0.00 0.00 41.96 39.35 1a57 s TYR 104 CO 0.14 -0.55 1.02 -1.91 0.64 0.00 0.00 175.55 174.90 1a57 n GLU 105 N 6.06 -6.82 -0.88 4.97 2.13 -1.08 -2.31 120.64 122.71 1a57 n GLU 105 Ca 0.01 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1a57 n GLU 105 Cb 0.48 -5.71 0.00 0.00 0.27 0.00 0.00 31.44 26.49 1a57 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a57 n GLY 106 N -1.45 0.47 3.31 8.31 0.00 -1.26 -4.99 105.19 109.58 1a57 n GLY 106 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.29 2.20 0.12 1.61 1.01 -0.98 -5.09 120.40 116.98 1a57 s VAL 107 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1a57 s VAL 107 Cb 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1a57 s VAL 107 CO 0.00 0.57 1.22 -1.61 0.00 0.00 0.00 175.10 175.29 1a57 s GLU 108 N -0.36 4.44 -0.29 2.72 2.02 -1.26 -1.51 118.70 124.46 1a57 s GLU 108 Ca 0.02 1.85 0.20 0.00 0.02 0.00 0.00 54.97 57.07 1a57 s GLU 108 Cb -0.12 -3.29 0.49 0.00 0.10 0.00 0.00 34.13 31.31 1a57 s GLU 108 CO 0.02 -0.21 1.05 0.00 0.02 0.00 0.00 175.26 176.14 1a57 n ALA 109 N 3.32 3.04 -1.52 5.21 0.00 0.60 -4.96 120.51 126.19 1a57 n ALA 109 Ca 0.07 -2.97 -0.29 0.00 0.00 0.00 0.00 53.44 50.26 1a57 n ALA 109 Cb 0.45 -0.88 0.13 0.00 0.00 0.00 0.00 19.45 19.15 1a57 n ALA 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1a57 s LYS 110 N -3.54 1.29 0.00 0.00 -2.85 -0.73 -4.66 119.74 109.25 1a57 s LYS 110 Ca 0.28 0.37 0.00 0.00 -1.00 0.00 0.00 55.97 55.62 1a57 s LYS 110 Cb 0.38 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 34.30 1a57 s LYS 110 CO -0.01 -2.11 0.00 0.54 0.10 0.00 0.00 175.35 173.87 1a57 n ARG 111 N -3.72 0.00 -3.97 1.78 1.74 -1.26 -5.02 116.66 106.22 1a57 n ARG 111 Ca 0.07 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.16 1a57 n ARG 111 Cb 0.59 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.04 1a57 n ARG 111 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1a57 s ILE 112 N 0.06 0.00 0.00 0.55 -4.36 -1.26 -5.01 121.20 111.18 1a57 s ILE 112 Ca 0.00 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.12 1a57 s ILE 112 Cb 0.00 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.76 1a57 s ILE 112 CO 0.00 0.00 0.00 0.49 0.24 0.00 0.00 174.94 175.67 1a57 n PHE 113 N -0.86 0.00 -1.50 1.37 3.72 -1.26 -4.91 117.46 114.02 1a57 n PHE 113 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1a57 n PHE 113 Cb 0.59 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 -0.68 0.00 0.00 -1.08 0.00 -1.26 -4.48 118.16 110.66 1a57 n LYS 114 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1a57 n LYS 114 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1a57 n LYS 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1a57 n LYS 115 N 0.00 2.52 0.00 -1.58 4.81 -1.26 -1.37 118.16 121.28 1a57 n LYS 115 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1a57 n LYS 115 Cb 0.00 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.09 1a57 n LYS 115 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66