#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x63 h SER 2 N 0.00 -0.76 -3.23 1.61 0.87 -2.09 -3.37 113.55 106.57 1x63 h SER 2 Ca 0.00 0.08 -0.60 0.00 -1.23 0.00 0.00 61.79 60.04 1x63 h SER 2 Cb 0.00 0.28 -0.40 0.00 -0.44 0.00 0.00 62.40 61.84 1x63 h SER 2 CO 0.00 -0.38 -0.77 -0.44 -0.53 0.00 0.00 176.83 174.71 1x63 s SER 3 N -4.76 3.43 0.00 6.23 0.01 -1.26 -5.05 113.70 112.30 1x63 s SER 3 Ca -0.16 -2.59 0.00 0.00 1.31 0.00 0.00 55.95 54.51 1x63 s SER 3 Cb 0.07 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.41 1x63 s SER 3 CO 0.64 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1x63 n GLY 4 N 3.57 1.54 3.59 3.44 0.00 -1.26 -5.11 105.19 110.95 1x63 n GLY 4 Ca 0.11 0.47 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 1x63 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x63 s SER 5 N 0.00 6.37 -0.17 1.61 0.15 -1.26 -4.20 113.70 116.20 1x63 s SER 5 Ca 0.00 0.37 -0.29 0.00 0.70 0.00 0.00 55.95 56.73 1x63 s SER 5 Cb 0.00 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1x63 s SER 5 CO 0.00 -1.50 1.50 -0.44 1.20 0.00 0.00 173.24 174.00 1x63 s SER 6 N 3.49 6.63 0.51 5.45 0.01 -1.26 -5.00 113.70 123.53 1x63 s SER 6 Ca 0.50 1.75 -0.09 0.00 1.31 0.00 0.00 55.95 59.43 1x63 s SER 6 Cb -0.09 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 1x63 s SER 6 CO 0.28 -1.02 0.88 -0.83 0.41 0.00 0.00 173.24 172.96 1x63 s GLY 7 N 3.25 1.68 -0.38 3.44 0.00 -1.26 -5.06 107.32 108.99 1x63 s GLY 7 Ca 0.66 -0.26 -0.04 0.00 0.00 0.00 0.00 44.72 45.08 1x63 s GLY 7 CO 0.25 -0.05 0.16 -1.59 0.00 0.00 0.00 173.10 171.87 1x63 s LYS 8 N -4.66 2.26 -0.10 2.90 -2.85 -1.26 -5.06 119.74 110.97 1x63 s LYS 8 Ca 0.51 -1.59 -0.05 0.00 -1.00 0.00 0.00 55.97 53.85 1x63 s LYS 8 Cb -0.10 -3.53 0.05 0.00 -2.06 0.00 0.00 37.83 32.19 1x63 s LYS 8 CO 0.44 -0.92 0.22 0.00 0.10 0.00 0.00 175.35 175.19 1x63 s THR 10 N 1.34 4.57 -0.40 0.00 -4.23 -1.26 -5.01 115.64 110.66 1x63 s THR 10 Ca -0.08 1.29 -0.14 0.00 -1.18 0.00 0.00 61.69 61.58 1x63 s THR 10 Cb -0.11 -4.34 0.02 0.00 1.34 0.00 0.00 72.50 69.40 1x63 s THR 10 CO -0.08 -0.52 0.28 0.42 -0.54 0.00 0.00 174.62 174.18 1x63 s THR 11 N 3.50 5.14 -0.08 3.99 -4.23 -1.26 -4.93 115.64 117.78 1x63 s THR 11 Ca 0.39 -0.64 -0.09 0.00 -1.18 0.00 0.00 61.69 60.17 1x63 s THR 11 Cb -0.12 -3.84 -0.29 0.00 1.34 0.00 0.00 72.50 69.59 1x63 s THR 11 CO 0.18 -0.26 0.54 -0.09 -0.54 0.00 0.00 174.62 174.45 1x63 h ARG 12 N 8.58 0.34 -3.39 3.99 2.43 -2.06 -3.40 114.38 120.87 1x63 h ARG 12 Ca -0.27 -0.59 -0.80 0.00 -0.81 0.00 0.00 59.98 57.51 1x63 h ARG 12 Cb 1.12 0.22 -0.27 0.00 -0.42 0.00 0.00 29.97 30.62 1x63 h ARG 12 CO 0.71 1.28 0.62 -0.85 -1.51 0.00 0.00 179.97 180.22 1x63 n GLU 13 N -3.55 3.85 -2.08 0.20 0.28 -1.26 -4.77 120.64 113.31 1x63 n GLU 13 Ca -0.28 -4.46 -0.23 0.00 -0.16 0.00 0.00 57.16 52.04 1x63 n GLU 13 Cb 1.07 -2.56 0.02 0.00 1.43 0.00 0.00 31.44 31.40 1x63 n GLU 13 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1x63 n ASP 14 N 2.35 4.75 -4.43 -1.84 5.75 -1.26 -5.04 116.55 116.83 1x63 n ASP 14 Ca 0.25 -3.66 -0.23 0.00 -0.01 0.00 0.00 54.79 51.14 1x63 n ASP 14 Cb 0.37 -0.35 -0.10 0.00 -1.03 0.00 0.00 41.12 40.01 1x63 n ASP 14 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1x63 s SER 15 N -3.61 3.27 -0.33 -1.12 0.01 -1.26 -5.09 113.70 105.57 1x63 s SER 15 Ca 0.50 -1.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.46 1x63 s SER 15 Cb 0.41 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 66.38 1x63 s SER 15 CO 0.03 -0.01 1.68 -2.16 0.41 0.00 0.00 173.24 173.18 1x63 s PRO 16 N -3.45 3.47 0.36 12.44 0.04 -1.23 -4.79 135.00 141.83 1x63 s PRO 16 Ca 0.27 1.36 -0.25 0.00 0.04 0.00 0.00 61.00 62.42 1x63 s PRO 16 Cb -0.04 -4.13 -0.10 0.00 0.04 0.00 0.00 34.50 30.27 1x63 s PRO 16 CO 0.12 -1.69 0.99 0.15 0.04 0.00 0.00 177.00 176.61 1x63 s LYS 17 N 5.32 4.39 0.60 4.56 -0.14 -1.26 0.45 119.74 133.66 1x63 s LYS 17 Ca 0.74 1.38 -0.08 0.00 -1.36 0.00 0.00 55.97 56.66 1x63 s LYS 17 Cb -0.21 -2.64 -0.00 0.00 -1.68 0.00 0.00 37.83 33.30 1x63 s LYS 17 CO 0.33 0.09 0.94 0.00 -0.76 0.00 0.00 175.35 175.95 1x63 n LYS 19 N -2.65 1.69 0.24 0.00 3.00 -1.22 -3.47 118.16 115.75 1x63 n LYS 19 Ca 0.05 0.02 -0.13 0.00 -0.00 0.00 0.00 58.31 58.25 1x63 n LYS 19 Cb 0.57 -1.29 -0.07 0.00 0.00 0.00 0.00 35.03 34.24 1x63 n LYS 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1x63 h GLY 20 N 1.91 -0.68 0.22 3.14 0.00 -1.92 -3.35 103.07 102.38 1x63 h GLY 20 Ca -0.31 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1x63 h GLY 20 CO -0.00 -0.25 -1.52 0.00 0.00 0.00 0.00 176.54 174.77 1x63 n PHE 22 N -2.10 -0.75 -4.72 0.00 3.72 -1.23 -5.02 117.46 107.36 1x63 n PHE 22 Ca -0.01 0.15 -0.33 0.00 -0.05 0.00 0.00 57.45 57.21 1x63 n PHE 22 Cb 0.50 -2.57 -0.13 0.00 -0.94 0.00 0.00 39.48 36.34 1x63 n PHE 22 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1x63 s LYS 23 N -4.85 2.94 0.13 -1.08 1.02 -1.26 -4.73 119.74 111.91 1x63 s LYS 23 Ca 0.09 -0.62 -0.35 0.00 0.02 0.00 0.00 55.97 55.10 1x63 s LYS 23 Cb -0.04 -2.57 -0.16 0.00 -0.52 0.00 0.00 37.83 34.54 1x63 s LYS 23 CO 0.11 0.49 1.38 0.00 -0.92 0.00 0.00 175.35 176.41 1x63 n ALA 24 N 2.73 -0.24 -2.82 5.17 0.00 -1.26 -1.94 120.51 122.15 1x63 n ALA 24 Ca -0.18 0.49 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 1x63 n ALA 24 Cb 0.53 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 1x63 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x63 s ILE 25 N 0.46 4.91 0.54 0.00 1.01 0.17 -4.86 121.20 123.44 1x63 s ILE 25 Ca 0.80 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 61.15 1x63 s ILE 25 Cb -0.85 -3.27 0.06 0.00 0.01 0.00 0.00 42.46 38.41 1x63 s ILE 25 CO 0.45 0.33 0.52 1.33 0.00 0.00 0.00 174.94 177.57 1x63 n VAL 26 N 1.07 0.00 -0.05 2.92 0.24 -1.26 -3.58 118.33 117.66 1x63 n VAL 26 Ca -0.12 -2.03 -0.02 0.00 -2.04 0.00 0.00 64.34 60.13 1x63 n VAL 26 Cb 0.53 -0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 32.69 1x63 n VAL 26 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x63 h ALA 27 N 0.50 0.00 -1.45 2.33 0.00 -2.00 -3.36 119.26 115.28 1x63 h ALA 27 Ca -0.31 -0.27 0.49 0.00 0.00 0.00 0.00 54.91 54.81 1x63 h ALA 27 Cb 1.22 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 19.13 1x63 h ALA 27 CO 0.48 0.25 0.95 0.41 0.00 0.00 0.00 179.25 181.34 1x63 n GLY 28 N 1.71 -0.86 3.71 0.00 0.00 -1.26 -4.43 105.19 104.05 1x63 n GLY 28 Ca -0.04 0.76 -0.29 0.00 0.00 0.00 0.00 46.02 46.46 1x63 n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x63 s ASP 29 N -4.22 2.80 -0.42 1.61 2.15 -1.26 -5.01 116.67 112.32 1x63 s ASP 29 Ca -0.07 1.10 -0.14 0.00 0.43 0.00 0.00 52.55 53.87 1x63 s ASP 29 Cb 0.31 -1.73 0.04 0.00 -0.30 0.00 0.00 42.92 41.23 1x63 s ASP 29 CO 0.83 -3.01 0.30 -1.10 -0.17 0.00 0.00 175.17 172.02 1x63 s GLN 30 N -5.06 2.91 0.39 4.34 1.11 -1.26 -4.96 119.66 117.13 1x63 s GLN 30 Ca 0.65 -1.15 0.04 0.00 0.01 0.00 0.00 55.36 54.90 1x63 s GLN 30 Cb -0.17 -3.95 -0.04 0.00 -1.01 0.00 0.00 33.01 27.83 1x63 s GLN 30 CO 0.56 -0.83 0.08 0.54 0.01 0.00 0.00 175.29 175.66 1x63 s ASN 31 N 1.92 2.83 -0.35 5.90 2.20 -1.26 0.59 114.94 126.77 1x63 s ASN 31 Ca 0.04 -1.55 0.01 0.00 -0.94 0.00 0.00 52.86 50.41 1x63 s ASN 31 Cb -0.21 0.27 0.11 0.00 -2.00 0.00 0.00 41.25 39.42 1x63 s ASN 31 CO 0.08 -0.79 0.14 -0.69 -2.94 0.00 0.00 177.10 172.89 1x63 s VAL 32 N -3.19 1.23 0.25 3.54 1.01 0.70 -4.67 120.40 119.28 1x63 s VAL 32 Ca 0.27 -1.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.17 1x63 s VAL 32 Cb 0.05 -1.91 -0.08 0.00 0.00 0.00 0.00 36.38 34.44 1x63 s VAL 32 CO 0.14 -0.74 0.73 -0.70 0.00 0.00 0.00 175.10 174.53 1x63 s GLU 33 N 1.12 4.20 -0.24 2.72 2.12 -1.26 -1.34 118.70 126.02 1x63 s GLU 33 Ca 0.12 0.84 -0.03 0.00 0.36 0.00 0.00 54.97 56.26 1x63 s GLU 33 Cb -0.20 -2.77 0.11 0.00 0.26 0.00 0.00 34.13 31.53 1x63 s GLU 33 CO -0.15 0.33 0.25 -0.47 -0.54 0.00 0.00 175.26 174.68 1x63 s TYR 34 N -1.63 -0.31 -1.77 5.30 5.04 0.82 -4.90 117.35 119.89 1x63 s TYR 34 Ca 0.46 0.01 -0.20 0.00 -2.44 0.00 0.00 57.07 54.90 1x63 s TYR 34 Cb -0.15 -0.43 0.19 0.00 0.35 0.00 0.00 41.96 41.92 1x63 s TYR 34 CO 0.20 -0.74 0.71 1.63 -1.34 0.00 0.00 175.55 176.01 1x63 n LYS 35 N 5.31 -2.23 0.00 4.97 5.02 -1.26 -2.27 118.16 127.70 1x63 n LYS 35 Ca -0.04 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1x63 n LYS 35 Cb 0.48 -4.94 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 1x63 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x63 n GLY 36 N -1.29 2.27 3.29 0.72 0.00 -1.26 -5.08 105.19 103.83 1x63 n GLY 36 Ca 0.08 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 1x63 n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x63 n THR 37 N 0.00 0.00 -3.63 2.61 -2.24 -0.96 -4.96 114.28 105.10 1x63 n THR 37 Ca 0.00 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 1x63 n THR 37 Cb 0.00 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.57 1x63 n THR 37 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x63 s VAL 38 N -2.25 0.00 -0.06 2.28 0.11 -1.26 -0.12 120.40 119.10 1x63 s VAL 38 Ca 0.56 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.63 1x63 s VAL 38 Cb -0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1x63 s VAL 38 CO 0.66 0.00 -0.14 0.26 -3.33 0.00 0.00 175.10 172.55 1x63 s TRP 39 N 0.45 1.57 0.35 1.54 0.51 -0.45 -3.45 118.94 119.46 1x63 s TRP 39 Ca -0.00 -0.55 -0.27 0.00 -2.12 0.00 0.00 56.10 53.16 1x63 s TRP 39 Cb -0.05 -1.12 -0.12 0.00 -0.81 0.00 0.00 33.47 31.37 1x63 s TRP 39 CO -0.02 -0.26 1.09 0.72 -0.51 0.00 0.00 176.95 177.96 1x63 n HIS 40 N 3.64 1.51 -0.11 -1.98 8.25 -1.26 -0.21 115.22 125.07 1x63 n HIS 40 Ca -0.21 0.61 0.23 0.00 -0.26 0.00 0.00 57.72 58.09 1x63 n HIS 40 Cb 0.52 -2.29 0.40 0.00 1.12 0.00 0.00 29.99 29.74 1x63 n HIS 40 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1x63 h LYS 41 N 1.98 0.00 0.00 -0.41 3.64 -0.15 1.73 116.57 123.36 1x63 h LYS 41 Ca -0.43 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.59 1x63 h LYS 41 Cb 1.32 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.08 1x63 h LYS 41 CO 0.60 0.00 -2.34 -0.40 -2.27 0.00 0.00 179.45 175.03 1x63 n ASP 42 N -3.16 0.26 -0.05 4.20 5.75 -1.26 -2.92 116.55 119.36 1x63 n ASP 42 Ca 0.18 -0.01 -0.13 0.00 -0.01 0.00 0.00 54.79 54.83 1x63 n ASP 42 Cb 1.38 0.93 -0.07 0.00 -1.03 0.00 0.00 41.12 42.32 1x63 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x63 n PHE 44 N -4.52 1.94 -4.48 0.00 7.35 0.67 -4.86 117.46 113.57 1x63 n PHE 44 Ca -0.06 -0.04 -0.23 0.00 -0.76 0.00 0.00 57.45 56.36 1x63 n PHE 44 Cb 0.39 -2.68 -0.10 0.00 0.35 0.00 0.00 39.48 37.44 1x63 n PHE 44 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1x63 s THR 45 N 7.51 1.07 0.61 -2.13 -4.23 -1.26 -0.35 115.64 116.86 1x63 s THR 45 Ca 1.02 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.47 1x63 s THR 45 Cb -0.50 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 70.68 1x63 s THR 45 CO 0.40 0.00 0.92 0.00 -0.54 0.00 0.00 174.62 175.40 1x63 n SER 47 N -2.64 0.53 -0.04 0.00 2.88 -0.02 -3.40 113.62 110.92 1x63 n SER 47 Ca 0.05 -0.05 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1x63 n SER 47 Cb 0.58 1.85 -0.01 0.00 -0.75 0.00 0.00 64.21 65.88 1x63 n SER 47 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1x63 n ASN 48 N -2.15 1.02 0.14 -3.46 5.15 -1.26 -4.63 115.26 110.08 1x63 n ASN 48 Ca -0.03 0.30 0.12 0.00 -0.60 0.00 0.00 54.58 54.37 1x63 n ASN 48 Cb 0.50 -0.66 0.08 0.00 -0.53 0.00 0.00 39.78 39.17 1x63 n ASN 48 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x63 n LYS 50 N -2.77 -5.17 -4.50 0.00 4.01 -1.22 -4.95 118.16 103.55 1x63 n LYS 50 Ca 0.02 0.84 -0.33 0.00 -0.51 0.00 0.00 58.31 58.33 1x63 n LYS 50 Cb 0.53 -5.79 -0.16 0.00 -0.51 0.00 0.00 35.03 29.10 1x63 n LYS 50 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1x63 s GLN 51 N -5.03 3.13 -0.51 1.97 -1.52 -1.26 -4.65 119.66 111.78 1x63 s GLN 51 Ca 0.14 -0.79 -0.41 0.00 -1.95 0.00 0.00 55.36 52.36 1x63 s GLN 51 Cb -0.02 -2.57 -0.17 0.00 -0.22 0.00 0.00 33.01 30.03 1x63 s GLN 51 CO 0.72 -0.03 2.20 0.28 -0.25 0.00 0.00 175.29 178.21 1x63 n VAL 52 N 4.16 0.04 0.05 1.09 0.31 -1.26 -2.93 118.33 119.79 1x63 n VAL 52 Ca -0.20 -0.07 -0.22 0.00 -0.01 0.00 0.00 64.34 63.84 1x63 n VAL 52 Cb 0.51 -0.80 -0.14 0.00 -0.91 0.00 0.00 33.84 32.50 1x63 n VAL 52 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1x63 h ILE 53 N 7.12 1.10 -0.36 2.52 2.04 -0.94 -3.48 117.51 125.51 1x63 h ILE 53 Ca -0.14 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.24 1x63 h ILE 53 Cb 1.39 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 40.31 1x63 h ILE 53 CO 1.10 0.76 0.00 0.61 0.00 0.00 0.00 178.15 180.62 1x63 n GLY 54 N 1.76 0.87 0.32 5.37 0.00 -1.13 -2.27 105.19 110.12 1x63 n GLY 54 Ca -0.22 -0.74 0.25 0.00 0.00 0.00 0.00 46.02 45.30 1x63 n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x63 n THR 55 N 0.00 -0.40 -1.04 2.61 -2.24 -1.26 -4.59 114.28 107.35 1x63 n THR 55 Ca 0.00 2.01 -0.33 0.00 -2.27 0.00 0.00 64.05 63.46 1x63 n THR 55 Cb 0.00 -3.14 0.01 0.00 -2.10 0.00 0.00 70.33 65.10 1x63 n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x63 n GLY 56 N -1.33 -2.61 3.63 3.38 0.00 -0.96 -4.84 105.19 102.45 1x63 n GLY 56 Ca 0.31 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1x63 n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x63 n SER 57 N 2.05 0.02 -3.84 1.61 7.64 -1.26 -4.99 113.62 114.85 1x63 n SER 57 Ca 0.07 0.44 -0.10 0.00 1.01 0.00 0.00 58.87 60.29 1x63 n SER 57 Cb 0.38 -1.43 -0.05 0.00 -1.01 0.00 0.00 64.21 62.10 1x63 n SER 57 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1x63 s PHE 58 N -2.50 0.46 -0.28 1.43 -0.12 -1.26 -3.86 117.98 111.84 1x63 s PHE 58 Ca 0.66 -0.82 -0.02 0.00 -0.05 0.00 0.00 56.93 56.70 1x63 s PHE 58 Cb -0.24 0.17 0.09 0.00 -0.63 0.00 0.00 43.02 42.42 1x63 s PHE 58 CO 0.58 -1.04 0.10 -0.06 -0.05 0.00 0.00 175.22 174.75 1x63 s PHE 59 N -3.80 1.15 0.09 3.49 0.40 0.17 -4.78 117.98 114.70 1x63 s PHE 59 Ca 0.24 -1.32 -0.31 0.00 -0.60 0.00 0.00 56.93 54.94 1x63 s PHE 59 Cb -0.01 -1.34 -0.07 0.00 0.51 0.00 0.00 43.02 42.11 1x63 s PHE 59 CO 0.11 -0.82 1.38 -1.25 0.70 0.00 0.00 175.22 175.34 1x63 s PRO 60 N 1.81 4.32 -0.10 0.24 0.04 -1.26 -1.76 135.00 138.30 1x63 s PRO 60 Ca 0.08 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.12 1x63 s PRO 60 Cb -0.17 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.10 1x63 s PRO 60 CO -0.26 -0.45 0.07 0.15 0.04 0.00 0.00 177.00 176.55 1x63 s LYS 61 N 1.33 0.03 2.08 4.56 -0.14 -1.08 -4.95 119.74 121.57 1x63 s LYS 61 Ca 0.64 0.15 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 1x63 s LYS 61 Cb -0.35 -1.13 0.00 0.00 -1.68 0.00 0.00 37.83 34.67 1x63 s LYS 61 CO 0.30 -0.48 0.00 0.41 -0.76 0.00 0.00 175.35 174.82 1x63 n GLY 62 N 5.28 1.79 1.96 -3.33 0.00 -1.26 -1.29 105.19 108.33 1x63 n GLY 62 Ca -0.05 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1x63 n GLY 62 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x63 n GLU 63 N 13.03 1.79 -3.89 1.61 4.07 -1.26 -4.83 120.64 131.16 1x63 n GLU 63 Ca 0.00 -1.18 -0.10 0.00 -0.06 0.00 0.00 57.16 55.82 1x63 n GLU 63 Cb 0.00 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 29.70 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1x63 s ASP 64 N 1.20 0.21 -0.06 4.31 1.01 -0.41 -5.16 116.67 117.77 1x63 s ASP 64 Ca 0.40 -1.18 -0.02 0.00 0.71 0.00 0.00 52.55 52.45 1x63 s ASP 64 Cb 0.23 0.79 0.04 0.00 1.01 0.00 0.00 42.92 44.99 1x63 s ASP 64 CO -0.05 -1.55 0.10 -0.36 0.21 0.00 0.00 175.17 173.52 1x63 s PHE 65 N -2.68 -0.04 -0.10 4.23 0.08 -1.26 -2.64 117.98 115.57 1x63 s PHE 65 Ca 0.19 0.40 -0.01 0.00 0.12 0.00 0.00 56.93 57.64 1x63 s PHE 65 Cb -0.04 -0.37 -0.03 0.00 -0.57 0.00 0.00 43.02 42.01 1x63 s PHE 65 CO 0.13 -0.22 -0.06 0.71 -0.10 0.00 0.00 175.22 175.68 1x63 s TYR 66 N 2.16 2.96 0.49 0.36 1.51 -0.72 -0.84 117.35 123.26 1x63 s TYR 66 Ca 0.03 -0.13 -0.19 0.00 -1.01 0.00 0.00 57.07 55.77 1x63 s TYR 66 Cb -0.12 -1.80 -0.09 0.00 -0.11 0.00 0.00 41.96 39.84 1x63 s TYR 66 CO -0.04 0.17 1.00 0.00 -1.11 0.00 0.00 175.55 175.57 1x63 n VAL 68 N -1.12 -0.19 -0.28 0.00 0.31 -1.25 -0.26 118.33 115.55 1x63 n VAL 68 Ca 0.08 1.29 -0.12 0.00 -0.01 0.00 0.00 64.34 65.58 1x63 n VAL 68 Cb 0.53 -1.65 -0.09 0.00 -0.91 0.00 0.00 33.84 31.72 1x63 n VAL 68 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1x63 h THR 69 N 0.00 0.00 -0.49 2.52 2.02 -1.92 1.94 112.91 116.98 1x63 h THR 69 Ca 0.04 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.32 1x63 h THR 69 Cb 0.11 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.44 1x63 h THR 69 CO -0.26 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.57 1x63 h HIS 71 N 0.06 0.00 0.07 0.00 2.76 0.15 0.35 115.15 118.53 1x63 h HIS 71 Ca 0.24 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.17 1x63 h HIS 71 Cb 0.37 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1x63 h HIS 71 CO -0.36 0.00 -1.13 0.93 -1.30 0.00 0.00 177.93 176.07 1x63 h GLU 72 N 0.00 0.14 0.01 5.26 4.39 0.69 -0.14 114.58 124.92 1x63 h GLU 72 Ca 0.00 -0.24 -0.40 0.00 0.34 0.00 0.00 59.36 59.06 1x63 h GLU 72 Cb 0.53 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.21 1x63 h GLU 72 CO 0.00 1.11 -2.25 -2.37 -1.16 0.00 0.00 179.01 174.34 1x63 n THR 73 N -3.44 1.54 0.08 1.13 5.66 0.04 -2.16 114.28 117.13 1x63 n THR 73 Ca -0.04 -0.37 -0.06 0.00 -3.05 0.00 0.00 64.05 60.52 1x63 n THR 73 Cb 0.98 -1.81 -0.04 0.00 -1.55 0.00 0.00 70.33 67.91 1x63 n THR 73 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1x63 h LYS 74 N -0.73 -0.32 0.00 1.09 3.64 -0.49 -3.40 116.57 116.35 1x63 h LYS 74 Ca -0.60 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1x63 h LYS 74 Cb 1.64 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.54 1x63 h LYS 74 CO -0.29 -0.21 -0.15 1.19 -2.27 0.00 0.00 179.45 177.71 1x63 n PHE 75 N -3.47 0.16 -0.36 1.91 3.72 -1.20 -4.99 117.46 113.22 1x63 n PHE 75 Ca -0.04 0.07 -0.27 0.00 -0.05 0.00 0.00 57.45 57.16 1x63 n PHE 75 Cb 0.16 -0.30 0.25 0.00 -0.94 0.00 0.00 39.48 38.65 1x63 n PHE 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x63 n ALA 76 N -2.69 -3.62 -3.46 4.37 0.00 -0.07 -4.98 120.51 110.06 1x63 n ALA 76 Ca -0.02 -1.58 -0.36 0.00 0.00 0.00 0.00 53.44 51.47 1x63 n ALA 76 Cb 0.08 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.97 1x63 n ALA 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x63 s SER 77 N -2.63 4.96 0.00 0.00 1.04 -0.92 -4.01 113.70 112.14 1x63 s SER 77 Ca 0.58 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1x63 s SER 77 Cb -0.12 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.22 1x63 s SER 77 CO 0.51 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1x63 n GLY 78 N 4.73 0.86 3.70 7.32 0.00 -0.99 -4.94 105.19 115.86 1x63 n GLY 78 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1x63 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x63 s PRO 79 N 3.41 4.30 0.24 1.61 0.04 -1.26 -4.98 135.00 138.36 1x63 s PRO 79 Ca 0.00 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1x63 s PRO 79 Cb 0.00 -3.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 1x63 s PRO 79 CO 0.00 -0.51 1.33 -1.54 0.04 0.00 0.00 177.00 176.32 1x63 s SER 80 N 1.53 6.84 0.49 6.66 1.04 -1.26 -4.94 113.70 124.05 1x63 s SER 80 Ca 0.65 2.50 -0.21 0.00 0.48 0.00 0.00 55.95 59.38 1x63 s SER 80 Cb -0.34 -2.62 -0.11 0.00 0.10 0.00 0.00 66.02 63.05 1x63 s SER 80 CO 0.29 -0.55 0.57 -1.20 0.98 0.00 0.00 173.24 173.33 1x63 n SER 81 N 2.16 -0.77 0.00 7.02 7.64 -1.26 -5.33 113.62 123.08 1x63 n SER 81 Ca 0.05 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1x63 n SER 81 Cb 0.42 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1x63 n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64