#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 -2.97 -2.30 0.00 3.01 -1.26 -4.99 117.46 108.94 1a57 n PHE 2 Ca 0.00 1.17 -0.01 0.00 1.01 0.00 0.00 57.45 59.63 1a57 n PHE 2 Cb 0.00 -3.71 -0.01 0.00 -0.01 0.00 0.00 39.48 35.75 1a57 n PHE 2 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1a57 n ASP 3 N -1.33 0.15 0.00 4.37 5.75 -1.07 -4.26 116.55 120.16 1a57 n ASP 3 Ca -0.02 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1a57 n ASP 3 Cb 0.53 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.24 1.81 2.61 6.12 0.00 0.51 -4.84 105.19 111.64 1a57 n GLY 4 Ca -0.08 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 0.00 -3.51 2.61 -2.24 -1.26 -0.90 114.28 108.98 1a57 n THR 5 Ca 0.00 -0.98 -0.14 0.00 -2.27 0.00 0.00 64.05 60.66 1a57 n THR 5 Cb 0.00 -1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 67.00 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 -2.20 -0.54 0.33 4.78 0.52 0.35 -4.25 118.94 117.94 1a57 s TRP 6 Ca 0.46 0.76 0.00 0.00 0.02 0.00 0.00 56.10 57.34 1a57 s TRP 6 Cb -0.02 0.46 0.00 0.00 -1.15 0.00 0.00 33.47 32.76 1a57 s TRP 6 CO 0.31 -0.60 0.00 1.63 0.02 0.00 0.00 176.95 178.31 1a57 n LYS 7 N 0.48 -2.57 -2.59 4.98 5.02 -1.22 0.04 118.16 122.30 1a57 n LYS 7 Ca -0.16 1.77 -0.03 0.00 -2.02 0.00 0.00 58.31 57.87 1a57 n LYS 7 Cb 0.59 -3.11 -0.03 0.00 -0.02 0.00 0.00 35.03 32.47 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 -3.88-10.65 -4.19 -0.18 3.14 -1.26 -4.74 118.33 96.57 1a57 n VAL 8 Ca -0.01 2.34 -0.17 0.00 -2.96 0.00 0.00 64.34 63.54 1a57 n VAL 8 Cb 0.57 -5.60 -0.15 0.00 -1.06 0.00 0.00 33.84 27.60 1a57 n VAL 8 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1a57 s ASP 9 N -0.52 0.71 -0.89 6.55 2.15 -1.26 -4.85 116.67 118.56 1a57 s ASP 9 Ca -0.17 -0.11 -0.04 0.00 0.43 0.00 0.00 52.55 52.66 1a57 s ASP 9 Cb 0.01 -0.11 -0.03 0.00 -0.30 0.00 0.00 42.92 42.49 1a57 s ASP 9 CO 0.47 0.06 0.78 0.54 -0.17 0.00 0.00 175.17 176.85 1a57 n ARG 10 N 3.05 -1.66 -1.51 4.34 5.12 -1.26 -4.84 116.66 119.91 1a57 n ARG 10 Ca -0.14 1.14 -0.48 0.00 -1.93 0.00 0.00 57.85 56.44 1a57 n ARG 10 Cb 0.57 -5.47 -0.03 0.00 -1.16 0.00 0.00 32.46 26.36 1a57 n ARG 10 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1a57 n ASN 11 N -2.43 0.20 -4.33 0.55 4.13 -1.26 -4.89 115.26 107.23 1a57 n ASN 11 Ca -0.05 1.15 -0.46 0.00 1.68 0.00 0.00 54.58 56.90 1a57 n ASN 11 Cb 0.56 -1.11 -0.03 0.00 -1.54 0.00 0.00 39.78 37.66 1a57 n ASN 11 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1a57 s GLU 12 N -0.95 3.38 -0.58 3.52 2.02 -1.26 -4.84 118.70 120.00 1a57 s GLU 12 Ca 0.67 -2.13 0.01 0.00 0.02 0.00 0.00 54.97 53.54 1a57 s GLU 12 Cb -0.87 -4.41 0.43 0.00 0.10 0.00 0.00 34.13 29.38 1a57 s GLU 12 CO 0.56 -1.35 1.72 0.27 0.02 0.00 0.00 175.26 176.49 1a57 n ASN 13 N 4.65 6.65 -1.63 -0.19 6.94 -1.26 -4.46 115.26 125.96 1a57 n ASN 13 Ca 0.04 -3.78 -0.05 0.00 -0.02 0.00 0.00 54.58 50.77 1a57 n ASN 13 Cb 0.45 -0.77 0.09 0.00 -2.36 0.00 0.00 39.78 37.18 1a57 n ASN 13 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a57 n TYR 14 N -0.76 1.12 -4.35 -2.53 9.36 -1.26 -5.04 117.16 113.70 1a57 n TYR 14 Ca 0.54 -1.67 -0.19 0.00 3.32 0.00 0.00 57.90 59.90 1a57 n TYR 14 Cb 0.67 -0.26 -0.09 0.00 -0.63 0.00 0.00 39.34 39.03 1a57 n TYR 14 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1a57 s SER 15 N -3.24 1.65 -1.03 2.98 1.04 -1.26 -5.07 113.70 108.77 1a57 s SER 15 Ca 0.39 -1.57 -0.03 0.00 0.48 0.00 0.00 55.95 55.23 1a57 s SER 15 Cb 0.38 0.39 0.31 0.00 0.10 0.00 0.00 66.02 67.19 1a57 s SER 15 CO -0.05 -0.89 1.53 0.61 0.98 0.00 0.00 173.24 175.43 1a57 n GLY 16 N -0.61 5.44 2.71 7.32 0.00 -1.26 -4.69 105.19 114.10 1a57 n GLY 16 Ca 0.01 -2.65 -0.03 0.00 0.00 0.00 0.00 46.02 43.34 1a57 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a57 s ALA 17 N -3.23 -3.62 -0.68 4.61 0.00 -1.26 -5.11 121.76 112.48 1a57 s ALA 17 Ca 0.34 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 52.26 1a57 s ALA 17 Cb 0.10 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.36 1a57 s ALA 17 CO 0.03 -2.42 1.19 -1.58 0.00 0.00 0.00 175.76 172.98 1a57 s HIS 18 N 0.95 2.45 0.00 0.00 2.46 -1.26 -4.52 115.29 115.37 1a57 s HIS 18 Ca 0.26 -0.00 0.00 0.00 0.47 0.00 0.00 55.06 55.79 1a57 s HIS 18 Cb 0.08 -4.52 0.00 0.00 -0.13 0.00 0.00 32.58 28.02 1a57 s HIS 18 CO -0.09 -1.85 0.00 -0.40 -2.47 0.00 0.00 174.74 169.93 1a57 n ASP 19 N 8.79 0.00 -0.67 9.88 5.68 -1.26 -5.06 116.55 133.91 1a57 n ASP 19 Ca 0.03 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.41 1a57 n ASP 19 Cb 0.48 0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.47 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 -1.70 -3.72 -0.39 -1.12 5.15 -1.26 -4.89 115.26 107.32 1a57 n ASN 20 Ca 0.00 0.64 0.00 0.00 -0.60 0.00 0.00 54.58 54.62 1a57 n ASN 20 Cb 0.00 -2.28 0.00 0.00 -0.53 0.00 0.00 39.78 36.97 1a57 n ASN 20 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1a57 n LEU 21 N -3.15 0.00 0.00 1.20 4.32 -1.26 -4.62 117.00 113.49 1a57 n LEU 21 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1a57 n LEU 21 Cb 0.32 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 1a57 n LEU 21 CO 0.02 0.00 0.00 2.29 -1.22 0.00 0.00 177.39 178.48 1a57 n LYS 22 N 0.00 -0.88 -4.48 3.23 2.85 -1.26 -4.86 118.16 112.75 1a57 n LYS 22 Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 1a57 n LYS 22 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 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 2.76 0.00 -5.58 1.43 0.11 -3.86 118.68 113.53 1a57 s LEU 23 Ca 0.00 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 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 -0.15 0.00 0.41 0.23 0.00 0.00 176.35 176.84 1a57 n THR 24 N -0.78 0.00 -5.08 5.49 -1.04 -1.26 0.13 114.28 111.74 1a57 n THR 24 Ca -0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.64 1a57 n THR 24 Cb 0.62 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.99 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 2.53 -0.43 12.58 1.09 -0.08 -2.90 121.20 134.00 1a57 s ILE 25 Ca 0.00 -0.96 0.03 0.00 -1.10 0.00 0.00 60.65 58.62 1a57 s ILE 25 Cb 0.00 -1.94 0.19 0.00 -1.06 0.00 0.00 42.46 39.65 1a57 s ILE 25 CO 0.00 0.56 0.80 -0.89 -0.10 0.00 0.00 174.94 175.31 1a57 s THR 26 N -0.69 -0.76 0.22 2.92 2.01 -1.23 -0.36 115.64 117.75 1a57 s THR 26 Ca 0.11 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1a57 s THR 26 Cb -0.10 0.00 -0.16 0.00 0.01 0.00 0.00 72.50 72.25 1a57 s THR 26 CO 0.00 0.00 0.89 0.00 -0.69 0.00 0.00 174.62 174.82 1a57 n GLN 27 N 3.50 0.83 -0.08 4.92 -0.00 -1.26 -4.69 117.38 120.59 1a57 n GLN 27 Ca 0.13 0.29 0.10 0.00 -0.00 0.00 0.00 57.00 57.52 1a57 n GLN 27 Cb 0.59 -1.58 0.37 0.00 -0.00 0.00 0.00 30.24 29.62 1a57 n GLN 27 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1a57 n GLU 28 N 1.06 1.72 0.00 2.61 4.07 -0.99 -4.86 120.64 124.25 1a57 n GLU 28 Ca 0.14 -1.08 0.00 0.00 -0.06 0.00 0.00 57.16 56.16 1a57 n GLU 28 Cb 0.27 -1.39 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 1a57 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a57 n GLY 29 N 1.12 3.16 0.00 8.31 0.00 -1.26 -4.67 105.19 111.85 1a57 n GLY 29 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1a57 n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a57 n ASN 30 N 0.00 0.11 -4.96 1.61 3.02 -1.26 -5.04 115.26 108.74 1a57 n ASN 30 Ca 0.00 -0.22 -0.22 0.00 -0.03 0.00 0.00 54.58 54.10 1a57 n ASN 30 Cb 0.00 0.47 0.04 0.00 -0.61 0.00 0.00 39.78 39.68 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 -0.49 2.51 -0.44 3.52 1.02 -1.26 -0.36 119.74 124.24 1a57 s LYS 31 Ca 0.00 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.38 1a57 s LYS 31 Cb 0.00 -2.42 0.24 0.00 -0.52 0.00 0.00 37.83 35.13 1a57 s LYS 31 CO 0.00 -0.80 0.98 0.34 -0.92 0.00 0.00 175.35 174.95 1a57 n PHE 32 N -2.45 -2.43 -2.34 3.18 7.35 -1.24 -2.35 117.46 117.18 1a57 n PHE 32 Ca 0.07 -1.33 -0.41 0.00 -0.76 0.00 0.00 57.45 55.03 1a57 n PHE 32 Cb 0.60 1.39 -0.03 0.00 0.35 0.00 0.00 39.48 41.78 1a57 n PHE 32 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1a57 s THR 33 N 0.58 3.37 0.02 -2.13 2.01 -1.26 -4.63 115.64 113.59 1a57 s THR 33 Ca 0.29 1.24 0.06 0.00 0.31 0.00 0.00 61.69 63.59 1a57 s THR 33 Cb 0.19 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1a57 s THR 33 CO -0.17 0.24 -0.14 0.54 -0.69 0.00 0.00 174.62 174.40 1a57 s VAL 34 N -0.49 3.06 -0.97 3.82 0.11 -1.18 -3.56 120.40 121.19 1a57 s VAL 34 Ca 0.50 -1.02 -0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1a57 s VAL 34 Cb -0.34 -2.29 0.33 0.00 -1.53 0.00 0.00 36.38 32.54 1a57 s VAL 34 CO 0.40 0.38 1.79 1.17 -3.33 0.00 0.00 175.10 175.51 1a57 n LYS 35 N 1.63 4.99 -0.57 1.54 4.81 -1.14 -3.05 118.16 126.36 1a57 n LYS 35 Ca -0.16 -4.55 -0.06 0.00 -0.87 0.00 0.00 58.31 52.67 1a57 n LYS 35 Cb 0.52 -2.43 -0.08 0.00 0.02 0.00 0.00 35.03 33.06 1a57 n LYS 35 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1a57 n GLU 36 N -0.13 1.15 -1.73 1.64 -0.00 -1.26 -3.99 120.64 116.31 1a57 n GLU 36 Ca 0.47 -0.48 -0.42 0.00 -0.00 0.00 0.00 57.16 56.73 1a57 n GLU 36 Cb 0.27 -1.65 -0.01 0.00 -0.00 0.00 0.00 31.44 30.05 1a57 n GLU 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1a57 n SER 37 N 2.39 3.41 -3.56 -1.84 2.88 -1.25 -4.94 113.62 110.71 1a57 n SER 37 Ca 0.21 1.19 0.02 0.00 -1.33 0.00 0.00 58.87 58.96 1a57 n SER 37 Cb 0.53 -1.55 -0.06 0.00 -0.75 0.00 0.00 64.21 62.38 1a57 n SER 37 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1a57 s SER 38 N 0.04 -0.12 0.00 -3.46 1.04 -1.03 -4.62 113.70 105.55 1a57 s SER 38 Ca 0.58 0.19 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1a57 s SER 38 Cb -0.53 1.07 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1a57 s SER 38 CO 0.58 -0.03 0.00 -3.20 0.98 0.00 0.00 173.24 171.57 1a57 n ASN 39 N 3.47 0.00 -4.02 7.02 2.85 -1.26 -4.55 115.26 118.77 1a57 n ASN 39 Ca -0.15 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.01 1a57 n ASN 39 Cb 0.56 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.43 1a57 n ASN 39 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1a57 s PHE 40 N 0.00 3.57 0.09 1.20 0.08 -1.26 -4.88 117.98 116.78 1a57 s PHE 40 Ca 0.00 -2.80 0.00 0.00 0.12 0.00 0.00 56.93 54.25 1a57 s PHE 40 Cb 0.00 -2.66 0.00 0.00 -0.57 0.00 0.00 43.02 39.79 1a57 s PHE 40 CO 0.00 -0.93 0.00 0.54 -0.10 0.00 0.00 175.22 174.73 1a57 n ARG 41 N 4.32 -0.83 0.10 0.44 3.00 -1.26 -4.44 116.66 117.99 1a57 n ARG 41 Ca -0.00 0.54 0.11 0.00 -0.01 0.00 0.00 57.85 58.49 1a57 n ARG 41 Cb 0.42 -1.01 -0.01 0.00 0.00 0.00 0.00 32.46 31.86 1a57 n ARG 41 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1a57 n ASN 42 N -3.11 0.84 -0.50 0.55 2.04 -1.26 -2.47 115.26 111.35 1a57 n ASN 42 Ca 0.00 0.33 0.00 0.00 -0.44 0.00 0.00 54.58 54.47 1a57 n ASN 42 Cb 0.19 0.45 0.00 0.00 -2.53 0.00 0.00 39.78 37.89 1a57 n ASN 42 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1a57 n ILE 43 N -2.69 0.00 -1.57 1.53 0.13 -1.26 -3.83 119.36 111.68 1a57 n ILE 43 Ca -0.01 0.00 -0.38 0.00 -1.10 0.00 0.00 62.75 61.26 1a57 n ILE 43 Cb 0.57 0.00 0.04 0.00 -0.84 0.00 0.00 39.64 39.41 1a57 n ILE 43 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 1a57 n ASP 44 N 0.29 0.27 -4.16 9.51 5.75 -1.26 -4.86 116.55 122.08 1a57 n ASP 44 Ca 0.00 0.82 -0.38 0.00 -0.01 0.00 0.00 54.79 55.22 1a57 n ASP 44 Cb 0.00 -1.31 -0.10 0.00 -1.03 0.00 0.00 41.12 38.68 1a57 n ASP 44 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a57 s VAL 45 N -1.54 3.77 0.33 2.12 1.01 -1.17 -5.01 120.40 119.90 1a57 s VAL 45 Ca 0.71 -2.04 0.07 0.00 0.00 0.00 0.00 61.98 60.73 1a57 s VAL 45 Cb -0.45 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1a57 s VAL 45 CO 0.51 -0.75 0.27 0.54 0.00 0.00 0.00 175.10 175.67 1a57 s VAL 46 N 1.10 3.57 0.00 2.92 0.11 -1.26 -3.10 120.40 123.73 1a57 s VAL 46 Ca 0.08 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 57.73 1a57 s VAL 46 Cb -0.24 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1a57 s VAL 46 CO -0.03 -0.19 0.00 2.22 -3.33 0.00 0.00 175.10 173.77 1a57 n PHE 47 N -1.34 -0.07 -3.37 1.54 -1.74 -1.26 -5.04 117.46 106.18 1a57 n PHE 47 Ca -0.02 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.62 1a57 n PHE 47 Cb 0.60 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.50 1a57 n PHE 47 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1a57 s GLU 48 N 0.46 0.75 0.00 3.97 2.02 -1.26 -3.59 118.70 121.05 1a57 s GLU 48 Ca 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1a57 s GLU 48 Cb 0.00 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 33.07 1a57 s GLU 48 CO 0.00 -1.29 0.00 -0.11 0.02 0.00 0.00 175.26 173.88 1a57 n LEU 49 N 3.50 0.00 -0.32 1.80 -0.00 0.51 -3.81 117.00 118.68 1a57 n LEU 49 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 1a57 n LEU 49 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1a57 n LEU 49 CO 0.10 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.10 1a57 n GLY 50 N 0.67 0.64 2.78 -3.96 0.00 0.20 -4.90 105.19 100.62 1a57 n GLY 50 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.96 0.45 0.62 1.61 1.01 -1.25 -5.00 120.40 115.88 1a57 s VAL 51 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1a57 s VAL 51 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1a57 s VAL 51 CO 0.00 0.20 1.03 1.51 0.00 0.00 0.00 175.10 177.84 1a57 s ASP 52 N 1.93 6.21 -0.05 3.32 -4.77 -1.26 -4.26 116.67 117.79 1a57 s ASP 52 Ca 0.04 1.43 -0.31 0.00 -3.30 0.00 0.00 52.55 50.41 1a57 s ASP 52 Cb -0.13 -2.47 0.12 0.00 -1.09 0.00 0.00 42.92 39.34 1a57 s ASP 52 CO -0.06 -0.88 1.17 0.72 0.70 0.00 0.00 175.17 176.82 1a57 s PHE 53 N -3.16 -0.12 -0.47 2.11 -0.71 -0.79 -4.98 117.98 109.86 1a57 s PHE 53 Ca 0.55 -0.00 0.03 0.00 -1.04 0.00 0.00 56.93 56.47 1a57 s PHE 53 Cb -0.11 0.55 0.13 0.00 -1.21 0.00 0.00 43.02 42.38 1a57 s PHE 53 CO 0.53 -0.36 0.25 0.00 -1.34 0.00 0.00 175.22 174.30 1a57 s ALA 54 N -2.62 2.64 0.23 1.99 0.00 -1.26 -0.88 121.76 121.86 1a57 s ALA 54 Ca 0.11 -2.88 -0.20 0.00 0.00 0.00 0.00 51.96 48.99 1a57 s ALA 54 Cb 0.01 -2.00 -0.08 0.00 0.00 0.00 0.00 23.12 21.05 1a57 s ALA 54 CO -0.04 -2.05 0.75 -0.47 0.00 0.00 0.00 175.76 173.95 1a57 s TYR 55 N 0.08 3.65 -0.94 0.00 5.04 -1.22 -4.91 117.35 119.05 1a57 s TYR 55 Ca 0.17 1.43 -0.01 0.00 -2.44 0.00 0.00 57.07 56.22 1a57 s TYR 55 Cb -0.25 -2.65 0.28 0.00 0.35 0.00 0.00 41.96 39.70 1a57 s TYR 55 CO 0.00 0.32 1.20 -1.13 -1.34 0.00 0.00 175.55 174.61 1a57 n SER 56 N 0.69 5.46 0.00 4.32 3.41 -1.26 -1.83 113.62 124.41 1a57 n SER 56 Ca -0.02 -3.38 0.00 0.00 -0.26 0.00 0.00 58.87 55.21 1a57 n SER 56 Cb 0.51 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1a57 n SER 56 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1a57 n LEU 57 N 1.33 0.00 0.00 1.04 0.00 -1.26 -4.58 117.00 113.53 1a57 n LEU 57 Ca 0.27 0.40 0.00 0.00 0.00 0.00 0.00 56.01 56.67 1a57 n LEU 57 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.78 1a57 n LEU 57 CO 0.60 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.99 1a57 n ALA 58 N -1.16 0.00 -0.25 1.96 0.00 -1.26 -4.93 120.51 114.87 1a57 n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a57 n ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 1.10 0.00 0.00 8.00 -1.26 -4.89 116.55 119.50 1a57 n ASP 59 Ca 0.00 -1.35 0.00 0.00 0.71 0.00 0.00 54.79 54.15 1a57 n ASP 59 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a57 n GLY 60 N -0.18 -0.66 0.04 0.44 0.00 -1.26 -5.07 105.19 98.50 1a57 n GLY 60 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 46.02 46.26 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 0.73 -1.99 2.61 -2.24 -1.26 -5.00 114.28 107.12 1a57 n THR 61 Ca 0.00 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1a57 n THR 61 Cb 0.00 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.28 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 -3.46 0.00 -1.70 -0.78 0.00 -1.12 -4.23 120.64 109.35 1a57 n GLU 62 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.94 1a57 n GLU 62 Cb 0.16 -2.97 -0.10 0.00 0.00 0.00 0.00 31.44 28.54 1a57 n GLU 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1a57 s LEU 63 N -0.28 2.59 -0.15 4.31 1.02 -0.76 -4.46 118.68 120.95 1a57 s LEU 63 Ca 0.00 -0.93 -0.29 0.00 0.02 0.00 0.00 54.13 52.93 1a57 s LEU 63 Cb 0.00 -2.59 -0.04 0.00 0.02 0.00 0.00 46.19 43.59 1a57 s LEU 63 CO 0.00 -4.26 1.60 -0.89 0.02 0.00 0.00 176.35 172.81 1a57 s THR 64 N 15.39 3.71 0.00 5.49 2.01 -1.14 -3.40 115.64 137.71 1a57 s THR 64 Ca 0.80 0.83 0.00 0.00 0.31 0.00 0.00 61.69 63.64 1a57 s THR 64 Cb -0.06 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1a57 s THR 64 CO 0.15 -0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 1a57 n GLY 65 N 4.34 4.52 0.00 4.40 0.00 -0.06 -3.31 105.19 115.07 1a57 n GLY 65 Ca 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.97 2.61 5.66 -1.14 -1.88 114.28 115.56 1a57 n THR 66 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 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 0.45 -0.34 1.09 0.52 -1.26 -2.85 118.94 116.55 1a57 s TRP 67 Ca 0.00 -0.06 0.07 0.00 0.02 0.00 0.00 56.10 56.13 1a57 s TRP 67 Cb 0.00 -0.51 0.51 0.00 -1.15 0.00 0.00 33.47 32.33 1a57 s TRP 67 CO 0.00 -0.16 1.53 0.25 0.02 0.00 0.00 176.95 178.59 1a57 n THR 68 N 4.22 2.71 0.00 2.01 -2.24 -1.26 -0.62 114.28 119.09 1a57 n THR 68 Ca -0.24 -2.86 0.00 0.00 -2.27 0.00 0.00 64.05 58.68 1a57 n THR 68 Cb 0.50 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.07 0.00 -3.60 -0.78 1.56 -1.26 -4.80 117.12 107.17 1a57 n MET 69 Ca 0.39 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 57.43 1a57 n MET 69 Cb 1.06 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 36.35 1a57 n MET 69 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1a57 s GLU 70 N 0.00 2.62 2.35 2.12 0.41 -1.20 -4.92 118.70 120.09 1a57 s GLU 70 Ca 0.00 -2.14 0.00 0.00 -0.41 0.00 0.00 54.97 52.42 1a57 s GLU 70 Cb 0.00 -3.90 0.00 0.00 -1.78 0.00 0.00 34.13 28.45 1a57 s GLU 70 CO 0.00 -1.19 0.00 0.41 -0.49 0.00 0.00 175.26 173.99 1a57 n GLY 71 N 4.24 0.52 2.66 -1.39 0.00 -1.26 0.10 105.19 110.06 1a57 n GLY 71 Ca 0.02 0.58 -0.09 0.00 0.00 0.00 0.00 46.02 46.52 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 4.25 2.03 -4.33 1.61 0.23 -1.26 -4.73 115.26 113.05 1a57 n ASN 72 Ca 0.00 -2.68 -0.17 0.00 -0.53 0.00 0.00 54.58 51.19 1a57 n ASN 72 Cb 0.00 -0.50 -0.10 0.00 -2.08 0.00 0.00 39.78 37.10 1a57 n ASN 72 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1a57 s LYS 73 N -3.39 1.31 -0.40 -3.83 1.02 0.11 -2.87 119.74 111.70 1a57 s LYS 73 Ca 0.31 -1.63 0.08 0.00 0.02 0.00 0.00 55.97 54.75 1a57 s LYS 73 Cb 0.41 -0.82 0.27 0.00 -0.52 0.00 0.00 37.83 37.17 1a57 s LYS 73 CO -0.01 0.02 0.59 1.28 -0.92 0.00 0.00 175.35 176.31 1a57 n LEU 74 N -0.39 0.01 -4.43 3.17 4.77 -0.80 -3.20 117.00 116.13 1a57 n LEU 74 Ca -0.07 -4.62 -0.44 0.00 -0.03 0.00 0.00 56.01 50.84 1a57 n LEU 74 Cb 0.62 0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 42.38 1a57 n LEU 74 CO 0.36 2.10 1.11 -0.69 -1.33 0.00 0.00 177.39 178.93 1a57 s VAL 75 N -1.21 5.20 0.28 4.08 1.01 -1.26 -2.59 120.40 125.92 1a57 s VAL 75 Ca 0.35 -2.55 -0.03 0.00 0.00 0.00 0.00 61.98 59.75 1a57 s VAL 75 Cb 0.20 -4.79 0.01 0.00 0.00 0.00 0.00 36.38 31.81 1a57 s VAL 75 CO -0.11 -1.46 0.43 0.61 0.00 0.00 0.00 175.10 174.56 1a57 n GLY 76 N 4.13 2.12 3.65 4.51 0.00 -1.26 -4.23 105.19 114.11 1a57 n GLY 76 Ca 0.30 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.54 1.58 0.19 1.61 2.20 -1.13 -4.63 119.74 117.02 1a57 s LYS 77 Ca 0.21 -1.08 -0.09 0.00 -0.36 0.00 0.00 55.97 54.65 1a57 s LYS 77 Cb -0.01 0.52 -0.01 0.00 -1.51 0.00 0.00 37.83 36.82 1a57 s LYS 77 CO 0.15 -0.68 0.33 -0.06 -0.36 0.00 0.00 175.35 174.73 1a57 s PHE 78 N -3.95 0.44 -0.29 4.03 0.08 -1.25 -2.88 117.98 114.15 1a57 s PHE 78 Ca 0.16 -0.79 -0.19 0.00 0.12 0.00 0.00 56.93 56.23 1a57 s PHE 78 Cb -0.02 -0.03 0.17 0.00 -0.57 0.00 0.00 43.02 42.57 1a57 s PHE 78 CO 0.06 -0.79 1.13 0.21 -0.10 0.00 0.00 175.22 175.73 1a57 s LYS 79 N -4.00 0.26 -0.61 0.44 2.20 -1.21 -1.86 119.74 114.96 1a57 s LYS 79 Ca 0.20 0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 56.21 1a57 s LYS 79 Cb 0.03 0.07 0.49 0.00 -1.51 0.00 0.00 37.83 36.91 1a57 s LYS 79 CO 0.03 -0.05 1.98 2.89 -0.36 0.00 0.00 175.35 179.85 1a57 n ARG 80 N 3.02 2.64 0.00 4.03 1.85 0.18 -2.88 116.66 125.50 1a57 n ARG 80 Ca -0.16 -3.27 0.00 0.00 -1.00 0.00 0.00 57.85 53.41 1a57 n ARG 80 Cb 0.57 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.71 1a57 n ARG 80 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1a57 n VAL 81 N -0.95 0.00 -0.22 8.89 3.14 -1.26 0.45 118.33 128.37 1a57 n VAL 81 Ca 0.61 0.00 0.30 0.00 -2.96 0.00 0.00 64.34 62.29 1a57 n VAL 81 Cb 0.85 0.00 0.55 0.00 -1.06 0.00 0.00 33.84 34.17 1a57 n VAL 81 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1a57 h ASP 82 N 0.00 0.00 0.00 6.55 1.82 -1.90 -3.38 116.42 119.51 1a57 h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1a57 h ASP 82 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1a57 h ASP 82 CO 0.00 0.00 0.00 -0.46 -1.61 0.00 0.00 179.24 177.17 1a57 n ASN 83 N -3.44 0.00 -0.09 2.28 6.94 0.17 -4.97 115.26 116.16 1a57 n ASN 83 Ca 0.23 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.67 1a57 n ASN 83 Cb 1.42 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 38.70 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 -0.84 7.00 4.83 0.00 -1.05 -5.05 105.19 110.09 1a57 n GLY 84 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.95 0.00 -1.83 1.61 4.81 -1.25 -4.79 118.16 113.76 1a57 n LYS 85 Ca -0.33 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.69 1a57 n LYS 85 Cb 1.10 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 36.13 1a57 n LYS 85 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1a57 s GLU 86 N 0.00 4.16 -0.23 1.64 2.02 -1.26 -0.65 118.70 124.38 1a57 s GLU 86 Ca 0.00 2.50 0.21 0.00 0.02 0.00 0.00 54.97 57.70 1a57 s GLU 86 Cb 0.00 -3.07 0.49 0.00 0.10 0.00 0.00 34.13 31.65 1a57 s GLU 86 CO 0.00 -0.61 1.13 1.28 0.02 0.00 0.00 175.26 177.08 1a57 n LEU 87 N 2.79 2.00 -4.62 1.80 4.77 -0.77 -4.26 117.00 118.70 1a57 n LEU 87 Ca 0.10 -3.15 -0.30 0.00 -0.03 0.00 0.00 56.01 52.63 1a57 n LEU 87 Cb 0.38 0.28 0.19 0.00 -2.33 0.00 0.00 43.42 41.93 1a57 n LEU 87 CO 0.63 1.12 0.63 -0.63 -1.33 0.00 0.00 177.39 177.81 1a57 s ILE 88 N -3.41 2.16 -0.40 -0.08 1.01 -1.23 -4.58 121.20 114.68 1a57 s ILE 88 Ca 0.32 0.05 0.09 0.00 0.00 0.00 0.00 60.65 61.10 1a57 s ILE 88 Cb 0.34 -2.14 0.27 0.00 0.01 0.00 0.00 42.46 40.94 1a57 s ILE 88 CO -0.05 -0.07 0.60 0.00 0.00 0.00 0.00 174.94 175.43 1a57 n ALA 89 N -4.41 1.98 -2.05 9.38 0.00 -1.26 -1.99 120.51 122.16 1a57 n ALA 89 Ca 0.08 -3.20 -0.42 0.00 0.00 0.00 0.00 53.44 49.90 1a57 n ALA 89 Cb 0.53 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.23 3.06 0.00 0.00 1.01 0.12 -4.68 120.40 118.68 1a57 s VAL 90 Ca 0.35 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1a57 s VAL 90 Cb 0.21 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1a57 s VAL 90 CO -0.11 0.08 0.00 -1.14 0.00 0.00 0.00 175.10 173.92 1a57 n ARG 91 N 3.54 0.00 0.00 2.72 0.00 -1.07 -2.86 116.66 118.99 1a57 n ARG 91 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1a57 n ARG 91 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.87 1a57 n ARG 91 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1a57 n GLU 92 N 0.00 0.00 -0.31 -0.14 0.28 -1.26 -1.91 120.64 117.31 1a57 n GLU 92 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 1a57 n GLU 92 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1a57 n GLU 92 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1a57 n ILE 93 N 0.00 0.00 0.00 3.84 3.06 -1.14 -4.84 119.36 120.28 1a57 n ILE 93 Ca 0.00 -0.08 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 1a57 n ILE 93 Cb 0.00 -0.02 0.00 0.00 0.54 0.00 0.00 39.64 40.16 1a57 n ILE 93 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1a57 n SER 94 N 1.33 0.00 0.00 9.51 3.41 -1.19 -4.83 113.62 121.85 1a57 n SER 94 Ca 0.14 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1a57 n SER 94 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.31 1.26 2.36 5.00 0.00 -1.26 -4.87 105.19 107.37 1a57 n GLY 95 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1a57 n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a57 n ASN 96 N 0.00 5.16 -3.59 1.61 2.85 -1.26 -4.95 115.26 115.08 1a57 n ASN 96 Ca 0.00 -3.74 -0.07 0.00 -0.11 0.00 0.00 54.58 50.66 1a57 n ASN 96 Cb 0.00 -0.50 -0.04 0.00 1.24 0.00 0.00 39.78 40.48 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1a57 s GLU 97 N -3.62 0.42 -0.41 1.20 4.04 -1.26 -4.44 118.70 114.63 1a57 s GLU 97 Ca 0.50 0.03 -0.11 0.00 0.04 0.00 0.00 54.97 55.43 1a57 s GLU 97 Cb 0.41 0.20 0.05 0.00 0.02 0.00 0.00 34.13 34.81 1a57 s GLU 97 CO -0.12 -0.15 0.26 -1.17 -1.84 0.00 0.00 175.26 172.24 1a57 s LEU 98 N -1.38 5.05 0.00 1.83 0.20 -1.26 -3.18 118.68 119.95 1a57 s LEU 98 Ca 0.04 -1.23 0.00 0.00 0.69 0.00 0.00 54.13 53.62 1a57 s LEU 98 Cb -0.01 -2.04 0.00 0.00 -0.43 0.00 0.00 46.19 43.71 1a57 s LEU 98 CO -0.03 -0.49 0.40 -0.38 -0.29 0.00 0.00 176.35 175.56 1a57 n ILE 99 N 5.01 0.00 -0.04 6.68 5.41 -1.26 -4.43 119.36 130.72 1a57 n ILE 99 Ca -0.11 0.90 0.00 0.00 1.00 0.00 0.00 62.75 64.53 1a57 n ILE 99 Cb 0.44 -1.80 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 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 -0.47 0.00 -3.35 0.38 1.13 -1.25 -4.21 117.38 109.61 1a57 n GLN 100 Ca 0.00 0.01 -0.46 0.00 -1.94 0.00 0.00 57.00 54.62 1a57 n GLN 100 Cb 0.00 -0.03 -0.04 0.00 0.11 0.00 0.00 30.24 30.28 1a57 n GLN 100 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1a57 s THR 101 N 0.00 5.25 0.16 5.09 2.01 -1.14 -2.21 115.64 124.81 1a57 s THR 101 Ca 0.00 -1.99 -0.31 0.00 0.31 0.00 0.00 61.69 59.70 1a57 s THR 101 Cb 0.00 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 68.10 1a57 s THR 101 CO 0.00 -0.93 1.45 -0.31 -0.69 0.00 0.00 174.62 174.14 1a57 s TYR 102 N 0.91 3.15 -0.87 4.92 2.02 -0.10 -0.70 117.35 126.68 1a57 s TYR 102 Ca 0.10 0.89 -0.01 0.00 -0.37 0.00 0.00 57.07 57.68 1a57 s TYR 102 Cb -0.21 -3.78 0.21 0.00 -0.40 0.00 0.00 41.96 37.79 1a57 s TYR 102 CO -0.03 -2.72 0.75 0.99 -1.57 0.00 0.00 175.55 172.97 1a57 s THR 103 N 0.83 4.16 0.15 -0.71 2.01 -0.84 -2.03 115.64 119.21 1a57 s THR 103 Ca 0.65 -3.95 0.03 0.00 0.31 0.00 0.00 61.69 58.72 1a57 s THR 103 Cb -0.40 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1a57 s THR 103 CO 0.33 -1.08 0.25 -0.47 -0.69 0.00 0.00 174.62 172.97 1a57 s TYR 104 N -1.40 3.42 -0.63 4.92 6.14 -1.13 -3.93 117.35 124.74 1a57 s TYR 104 Ca 0.27 0.10 -0.13 0.00 0.64 0.00 0.00 57.07 57.95 1a57 s TYR 104 Cb -0.07 -1.64 -0.18 0.00 0.42 0.00 0.00 41.96 40.50 1a57 s TYR 104 CO -0.13 0.52 1.53 0.39 0.64 0.00 0.00 175.55 178.50 1a57 n GLU 105 N -0.48 0.00 -0.56 4.97 -0.58 -1.26 0.42 120.64 123.15 1a57 n GLU 105 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1a57 n GLU 105 Cb 0.54 -0.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.62 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 3.79 0.72 3.78 0.62 0.00 -1.26 -5.05 105.19 107.79 1a57 n GLY 106 Ca 0.42 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 1a57 n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a57 s VAL 107 N -2.00 0.00 -0.37 1.61 -7.23 0.17 -5.06 120.40 107.52 1a57 s VAL 107 Ca 0.00 -1.10 0.13 0.00 -1.81 0.00 0.00 61.98 59.20 1a57 s VAL 107 Cb 0.00 -2.35 0.37 0.00 0.56 0.00 0.00 36.38 34.95 1a57 s VAL 107 CO 0.00 0.00 0.77 -0.62 -0.31 0.00 0.00 175.10 174.94 1a57 n GLU 108 N -0.48 1.03 -2.69 4.82 4.71 -1.26 -2.86 120.64 123.92 1a57 n GLU 108 Ca -0.05 -3.38 -0.43 0.00 -0.01 0.00 0.00 57.16 53.29 1a57 n GLU 108 Cb 0.60 -1.65 -0.02 0.00 -1.01 0.00 0.00 31.44 29.36 1a57 n GLU 108 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a57 s ALA 109 N -2.55 3.60 0.58 0.62 0.00 -0.86 -4.74 121.76 118.41 1a57 s ALA 109 Ca 0.38 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.62 1a57 s ALA 109 Cb 0.37 -3.49 0.08 0.00 0.00 0.00 0.00 23.12 20.08 1a57 s ALA 109 CO -0.06 -0.90 0.64 0.15 0.00 0.00 0.00 175.76 175.59 1a57 s LYS 110 N 2.81 2.24 -0.26 0.00 1.02 -1.26 -0.93 119.74 123.35 1a57 s LYS 110 Ca 0.44 -1.85 -0.20 0.00 0.02 0.00 0.00 55.97 54.38 1a57 s LYS 110 Cb -0.16 -2.40 0.07 0.00 -0.52 0.00 0.00 37.83 34.83 1a57 s LYS 110 CO 0.10 -0.82 0.68 0.50 -0.92 0.00 0.00 175.35 174.88 1a57 s ARG 111 N -4.53 0.75 -0.31 1.68 3.52 -0.94 -4.90 118.95 114.21 1a57 s ARG 111 Ca 0.50 1.05 -0.05 0.00 -0.13 0.00 0.00 55.73 57.10 1a57 s ARG 111 Cb -0.04 0.28 0.03 0.00 -1.56 0.00 0.00 34.95 33.66 1a57 s ARG 111 CO 0.31 -0.12 0.06 0.96 -0.81 0.00 0.00 175.30 175.70 1a57 s ILE 112 N 0.89 3.52 0.00 4.11 -4.36 -1.26 -3.86 121.20 120.23 1a57 s ILE 112 Ca -0.04 -1.10 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 1a57 s ILE 112 Cb -0.05 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1a57 s ILE 112 CO -0.07 -0.07 0.00 0.49 0.24 0.00 0.00 174.94 175.53 1a57 n PHE 113 N 4.76 0.00 -1.57 1.37 3.72 -1.26 -5.08 117.46 119.40 1a57 n PHE 113 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1a57 n PHE 113 Cb 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 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 -3.42 -1.08 0.00 -1.26 -4.81 118.16 107.59 1a57 n LYS 114 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1a57 n LYS 114 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.99 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 0.67 0.00 -1.58 4.81 -1.26 -3.45 118.16 117.35 1a57 n LYS 115 Ca 0.00 -2.05 0.00 0.00 -0.87 0.00 0.00 58.31 55.39 1a57 n LYS 115 Cb 0.00 1.17 0.00 0.00 0.02 0.00 0.00 35.03 36.22 1a57 n LYS 115 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66