#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x63 s SER 2 N 0.00 4.12 -0.24 1.61 0.01 -1.26 -5.09 113.70 112.86 1x63 s SER 2 Ca 0.00 -1.30 -0.18 0.00 1.31 0.00 0.00 55.95 55.78 1x63 s SER 2 Cb 0.00 -1.34 0.07 0.00 0.21 0.00 0.00 66.02 64.96 1x63 s SER 2 CO 0.00 -0.22 0.60 -0.44 0.41 0.00 0.00 173.24 173.59 1x63 s SER 3 N 1.26 -0.72 0.00 2.44 0.01 -1.26 -5.13 113.70 110.31 1x63 s SER 3 Ca -0.06 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1x63 s SER 3 Cb -0.19 1.21 0.00 0.00 0.21 0.00 0.00 66.02 67.25 1x63 s SER 3 CO -0.06 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1x63 n GLY 4 N 3.50 0.52 2.83 3.44 0.00 -1.26 -5.17 105.19 109.05 1x63 n GLY 4 Ca -0.17 0.59 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.04 1.61 0.15 -1.26 -5.16 113.70 109.09 1x63 s SER 5 Ca 0.00 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.71 1x63 s SER 5 Cb 0.00 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.32 1x63 s SER 5 CO 0.00 -0.12 0.11 -0.94 1.20 0.00 0.00 173.24 173.49 1x63 s SER 6 N 0.98 0.15 0.01 5.45 1.04 -1.26 -5.17 113.70 114.90 1x63 s SER 6 Ca -0.08 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.87 1x63 s SER 6 Cb -0.11 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 1x63 s SER 6 CO -0.03 -0.51 -0.08 -0.83 0.98 0.00 0.00 173.24 172.76 1x63 s GLY 7 N -2.11 0.40 -0.30 7.32 0.00 -1.26 -5.13 107.32 106.25 1x63 s GLY 7 Ca -0.05 -0.41 -0.17 0.00 0.00 0.00 0.00 44.72 44.08 1x63 s GLY 7 CO -0.04 -0.38 1.14 1.25 0.00 0.00 0.00 173.10 175.06 1x63 s LYS 8 N -0.46 0.16 -0.17 2.90 2.20 -1.26 -5.15 119.74 117.96 1x63 s LYS 8 Ca 0.01 0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.98 1x63 s LYS 8 Cb -0.04 0.24 0.09 0.00 -1.51 0.00 0.00 37.83 36.60 1x63 s LYS 8 CO -0.00 -0.06 0.27 0.00 -0.36 0.00 0.00 175.35 175.20 1x63 s THR 10 N 2.41 2.15 -0.10 0.00 -4.23 -1.26 -5.11 115.64 109.49 1x63 s THR 10 Ca 0.05 -1.01 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 1x63 s THR 10 Cb -0.14 -1.96 -0.05 0.00 1.34 0.00 0.00 72.50 71.70 1x63 s THR 10 CO -0.11 0.46 0.24 -0.89 -0.54 0.00 0.00 174.62 173.77 1x63 s THR 11 N 1.28 5.34 0.03 3.99 2.01 -1.26 -5.09 115.64 121.93 1x63 s THR 11 Ca 0.03 0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.45 1x63 s THR 11 Cb -0.14 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1x63 s THR 11 CO -0.11 0.55 0.00 -0.60 -0.69 0.00 0.00 174.62 173.77 1x63 s ARG 12 N -0.63 0.43 0.16 4.92 6.06 -1.26 -5.06 118.95 123.56 1x63 s ARG 12 Ca 0.17 -0.74 -0.27 0.00 -2.50 0.00 0.00 55.73 52.39 1x63 s ARG 12 Cb -0.13 0.16 0.01 0.00 0.06 0.00 0.00 34.95 35.05 1x63 s ARG 12 CO 0.06 -0.08 1.57 1.49 -2.50 0.00 0.00 175.30 175.83 1x63 h GLU 13 N 4.17 -0.26 -1.36 5.12 4.81 -2.08 -3.44 114.58 121.54 1x63 h GLU 13 Ca -0.32 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1x63 h GLU 13 Cb 1.19 0.06 -0.29 0.00 0.63 0.00 0.00 28.75 30.34 1x63 h GLU 13 CO 0.47 -0.17 0.55 0.34 -0.73 0.00 0.00 179.01 179.47 1x63 s ASP 14 N -5.12 -0.33 -0.29 1.04 2.15 -1.26 -5.18 116.67 107.69 1x63 s ASP 14 Ca -0.14 0.55 -0.25 0.00 0.43 0.00 0.00 52.55 53.14 1x63 s ASP 14 Cb 0.12 0.97 0.14 0.00 -0.30 0.00 0.00 42.92 43.85 1x63 s ASP 14 CO 0.66 -0.09 1.12 -0.94 -0.17 0.00 0.00 175.17 175.74 1x63 s SER 15 N 0.93 -0.37 -0.60 -0.34 1.04 -1.26 -5.11 113.70 107.99 1x63 s SER 15 Ca -0.05 0.71 -0.27 0.00 0.48 0.00 0.00 55.95 56.82 1x63 s SER 15 Cb -0.04 0.73 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 1x63 s SER 15 CO -0.12 -0.12 1.85 -2.16 0.98 0.00 0.00 173.24 173.67 1x63 s PRO 16 N 0.23 2.67 0.21 4.02 0.04 -1.23 -4.79 135.00 136.15 1x63 s PRO 16 Ca 0.04 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 1x63 s PRO 16 Cb -0.05 -4.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.03 1x63 s PRO 16 CO -0.08 -2.68 1.24 0.15 0.04 0.00 0.00 177.00 175.67 1x63 s LYS 17 N 6.95 4.46 0.78 4.56 -0.14 -1.26 0.03 119.74 135.11 1x63 s LYS 17 Ca 0.68 1.97 -0.11 0.00 -1.36 0.00 0.00 55.97 57.14 1x63 s LYS 17 Cb -0.13 -3.20 0.06 0.00 -1.68 0.00 0.00 37.83 32.88 1x63 s LYS 17 CO 0.21 -0.13 1.10 0.00 -0.76 0.00 0.00 175.35 175.77 1x63 n LYS 19 N -3.37 0.88 0.35 0.00 3.00 -1.22 -3.49 118.16 114.30 1x63 n LYS 19 Ca 0.07 0.06 -0.16 0.00 -0.00 0.00 0.00 58.31 58.28 1x63 n LYS 19 Cb 0.56 -1.28 -0.08 0.00 0.00 0.00 0.00 35.03 34.23 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 1.39 -0.93 0.37 3.14 0.00 -1.92 -3.32 103.07 101.80 1x63 h GLY 20 Ca -0.31 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1x63 h GLY 20 CO -0.03 -0.34 -1.29 0.00 0.00 0.00 0.00 176.54 174.88 1x63 n PHE 22 N -2.03 -0.85 -4.69 0.00 3.72 -1.23 -5.02 117.46 107.36 1x63 n PHE 22 Ca 0.00 0.15 -0.33 0.00 -0.05 0.00 0.00 57.45 57.22 1x63 n PHE 22 Cb 0.47 -2.86 -0.12 0.00 -0.94 0.00 0.00 39.48 36.02 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 -4.90 2.86 -0.03 -1.08 1.02 -1.26 -4.73 119.74 111.63 1x63 s LYS 23 Ca 0.09 -0.60 -0.36 0.00 0.02 0.00 0.00 55.97 55.12 1x63 s LYS 23 Cb -0.04 -2.58 -0.15 0.00 -0.52 0.00 0.00 37.83 34.55 1x63 s LYS 23 CO 0.11 0.56 1.62 0.00 -0.92 0.00 0.00 175.35 176.71 1x63 n ALA 24 N 2.54 0.18 -2.66 5.17 0.00 -1.26 -1.47 120.51 123.00 1x63 n ALA 24 Ca -0.18 0.42 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 1x63 n ALA 24 Cb 0.53 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 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 2.13 5.21 0.54 0.00 1.01 0.10 -4.85 121.20 125.35 1x63 s ILE 25 Ca 0.88 0.44 0.08 0.00 0.00 0.00 0.00 60.65 62.05 1x63 s ILE 25 Cb -0.86 -3.60 0.05 0.00 0.01 0.00 0.00 42.46 38.06 1x63 s ILE 25 CO 0.50 0.46 0.57 0.68 0.00 0.00 0.00 174.94 177.16 1x63 s VAL 26 N -1.21 2.01 -0.11 2.92 -7.23 -1.26 -3.51 120.40 112.02 1x63 s VAL 26 Ca 0.25 -1.25 -0.03 0.00 -1.81 0.00 0.00 61.98 59.14 1x63 s VAL 26 Cb -0.14 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1x63 s VAL 26 CO 0.13 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 174.86 1x63 h ALA 27 N 0.53 0.00 -1.48 1.32 0.00 -1.99 -3.35 119.26 114.29 1x63 h ALA 27 Ca -0.34 -0.18 0.49 0.00 0.00 0.00 0.00 54.91 54.87 1x63 h ALA 27 Cb 1.29 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 19.13 1x63 h ALA 27 CO 0.50 0.17 0.98 0.41 0.00 0.00 0.00 179.25 181.31 1x63 n GLY 28 N 1.73 -0.86 3.69 0.00 0.00 -1.26 -4.42 105.19 104.07 1x63 n GLY 28 Ca -0.02 0.74 -0.30 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.19 1.88 -0.41 1.61 2.15 -1.26 -5.02 116.67 111.43 1x63 s ASP 29 Ca -0.07 0.70 -0.08 0.00 0.43 0.00 0.00 52.55 53.53 1x63 s ASP 29 Cb 0.30 -1.03 0.08 0.00 -0.30 0.00 0.00 42.92 41.97 1x63 s ASP 29 CO 0.82 -3.54 0.24 -1.10 -0.17 0.00 0.00 175.17 171.42 1x63 s GLN 30 N -5.40 2.54 0.44 4.34 -0.21 -1.26 -4.98 119.66 115.14 1x63 s GLN 30 Ca 0.70 -1.47 0.03 0.00 0.02 0.00 0.00 55.36 54.63 1x63 s GLN 30 Cb -0.11 -3.72 -0.03 0.00 1.00 0.00 0.00 33.01 30.15 1x63 s GLN 30 CO 0.55 -0.94 0.06 0.54 -2.12 0.00 0.00 175.29 173.39 1x63 s ASN 31 N 2.02 3.40 -0.38 5.90 2.20 -1.26 0.45 114.94 127.28 1x63 s ASN 31 Ca 0.03 -1.62 0.01 0.00 -0.94 0.00 0.00 52.86 50.34 1x63 s ASN 31 Cb -0.23 0.39 0.12 0.00 -2.00 0.00 0.00 41.25 39.53 1x63 s ASN 31 CO 0.01 -0.83 0.16 -0.69 -2.94 0.00 0.00 177.10 172.81 1x63 s VAL 32 N -3.04 1.29 0.19 3.54 1.01 0.94 -4.75 120.40 119.59 1x63 s VAL 32 Ca 0.18 -2.08 -0.27 0.00 0.00 0.00 0.00 61.98 59.81 1x63 s VAL 32 Cb 0.03 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 1x63 s VAL 32 CO 0.10 -0.78 0.85 -0.70 0.00 0.00 0.00 175.10 174.57 1x63 s GLU 33 N 0.91 4.69 -0.16 2.72 2.12 -1.26 -1.51 118.70 126.22 1x63 s GLU 33 Ca 0.14 1.30 -0.04 0.00 0.36 0.00 0.00 54.97 56.73 1x63 s GLU 33 Cb -0.21 -3.27 0.07 0.00 0.26 0.00 0.00 34.13 30.97 1x63 s GLU 33 CO -0.11 0.54 0.15 -0.47 -0.54 0.00 0.00 175.26 174.83 1x63 s TYR 34 N -1.12 -0.05 -1.77 5.30 6.14 0.74 -4.89 117.35 121.70 1x63 s TYR 34 Ca 0.38 0.08 -0.16 0.00 0.64 0.00 0.00 57.07 58.01 1x63 s TYR 34 Cb -0.24 -0.48 0.16 0.00 0.42 0.00 0.00 41.96 41.81 1x63 s TYR 34 CO 0.29 -0.48 0.43 1.63 0.64 0.00 0.00 175.55 178.05 1x63 n LYS 35 N 5.30 -0.97 0.00 4.97 5.02 -1.26 -1.56 118.16 129.66 1x63 n LYS 35 Ca -0.06 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1x63 n LYS 35 Cb 0.49 -4.40 0.00 0.00 -0.02 0.00 0.00 35.03 31.11 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 -1.55 2.27 3.23 0.72 0.00 -1.26 -5.07 105.19 103.53 1x63 n GLY 36 Ca -0.03 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.64 2.61 -2.24 -0.60 -4.97 114.28 105.44 1x63 n THR 37 Ca 0.00 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.46 1x63 n THR 37 Cb 0.00 -0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 67.53 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 -2.20 0.00 -0.07 2.28 0.11 -1.26 -0.18 120.40 119.07 1x63 s VAL 38 Ca 0.54 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.62 1x63 s VAL 38 Cb -0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1x63 s VAL 38 CO 0.60 0.00 -0.18 0.26 -3.33 0.00 0.00 175.10 172.45 1x63 s TRP 39 N 0.94 1.94 0.38 1.54 0.51 -0.57 -3.46 118.94 120.23 1x63 s TRP 39 Ca -0.04 -0.71 -0.26 0.00 -2.12 0.00 0.00 56.10 52.96 1x63 s TRP 39 Cb -0.05 -1.34 -0.11 0.00 -0.81 0.00 0.00 33.47 31.16 1x63 s TRP 39 CO -0.11 -0.30 1.14 0.72 -0.51 0.00 0.00 176.95 177.88 1x63 n HIS 40 N 3.53 1.68 -0.03 -1.98 8.25 -1.26 -0.04 115.22 125.36 1x63 n HIS 40 Ca -0.20 0.57 0.21 0.00 -0.26 0.00 0.00 57.72 58.04 1x63 n HIS 40 Cb 0.52 -2.31 0.46 0.00 1.12 0.00 0.00 29.99 29.79 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 1.99 0.00 0.00 -0.41 3.64 -0.29 1.43 116.57 122.93 1x63 h LYS 41 Ca -0.45 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.61 1x63 h LYS 41 Cb 1.32 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 1x63 h LYS 41 CO 0.60 0.00 -2.31 -0.40 -2.27 0.00 0.00 179.45 175.07 1x63 n ASP 42 N -3.21 0.04 -0.05 4.20 5.75 -1.26 -2.99 116.55 119.04 1x63 n ASP 42 Ca 0.15 0.02 -0.14 0.00 -0.01 0.00 0.00 54.79 54.81 1x63 n ASP 42 Cb 1.19 1.08 -0.08 0.00 -1.03 0.00 0.00 41.12 42.27 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 -4.47 1.99 -4.45 0.00 7.35 0.48 -4.88 117.46 113.48 1x63 n PHE 44 Ca -0.07 -0.09 -0.22 0.00 -0.76 0.00 0.00 57.45 56.31 1x63 n PHE 44 Cb 0.44 -2.71 -0.11 0.00 0.35 0.00 0.00 39.48 37.46 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 7.56 1.33 0.72 -2.13 -4.23 -1.26 -0.51 115.64 117.13 1x63 s THR 45 Ca 1.00 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 59.38 1x63 s THR 45 Cb -0.44 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 70.71 1x63 s THR 45 CO 0.39 -0.07 1.10 0.00 -0.54 0.00 0.00 174.62 175.49 1x63 n SER 47 N -3.05 0.74 -0.08 0.00 2.88 -0.56 -3.36 113.62 110.19 1x63 n SER 47 Ca 0.07 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.54 1x63 n SER 47 Cb 0.58 1.83 -0.02 0.00 -0.75 0.00 0.00 64.21 65.85 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 -2.16 1.87 0.10 -3.46 5.15 -1.26 -4.62 115.26 110.88 1x63 n ASN 48 Ca -0.04 0.44 0.12 0.00 -0.60 0.00 0.00 54.58 54.49 1x63 n ASN 48 Cb 0.50 -0.78 0.04 0.00 -0.53 0.00 0.00 39.78 39.00 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 -2.55 -6.79 -4.37 0.00 4.01 -1.21 -4.94 118.16 102.31 1x63 n LYS 50 Ca 0.01 0.84 -0.34 0.00 -0.51 0.00 0.00 58.31 58.32 1x63 n LYS 50 Cb 0.52 -5.86 -0.15 0.00 -0.51 0.00 0.00 35.03 29.03 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 -5.50 3.29 -0.47 1.97 -1.52 -1.26 -4.62 119.66 111.56 1x63 s GLN 51 Ca 0.08 -0.70 -0.44 0.00 -1.95 0.00 0.00 55.36 52.35 1x63 s GLN 51 Cb -0.04 -2.73 -0.18 0.00 -0.22 0.00 0.00 33.01 29.84 1x63 s GLN 51 CO 0.73 -0.01 1.96 0.28 -0.25 0.00 0.00 175.29 178.00 1x63 n VAL 52 N 4.18 0.04 -0.01 1.09 0.31 -1.26 -2.77 118.33 119.92 1x63 n VAL 52 Ca -0.19 -0.03 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 1x63 n VAL 52 Cb 0.52 -0.67 -0.14 0.00 -0.91 0.00 0.00 33.84 32.64 1x63 n VAL 52 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1x63 n ILE 53 N 5.72 1.75 -3.05 2.52 5.41 0.34 -4.94 119.36 127.11 1x63 n ILE 53 Ca 0.45 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1x63 n ILE 53 Cb -0.01 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.23 1x63 n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x63 n GLY 54 N 2.02 1.33 0.41 7.39 0.00 -1.14 -1.72 105.19 113.49 1x63 n GLY 54 Ca -0.33 -0.52 0.23 0.00 0.00 0.00 0.00 46.02 45.39 1x63 n GLY 54 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1x63 h THR 55 N 0.00 0.55 -1.68 2.61 1.35 -1.86 -3.43 112.91 110.46 1x63 h THR 55 Ca 0.00 -0.13 -0.63 0.00 -0.55 0.00 0.00 66.41 65.10 1x63 h THR 55 Cb 0.00 0.15 0.14 0.00 -1.73 0.00 0.00 68.15 66.71 1x63 h THR 55 CO 0.00 0.07 -0.63 0.61 -0.25 0.00 0.00 175.52 175.32 1x63 n GLY 56 N -1.50 -1.99 3.52 5.82 0.00 -0.70 -4.83 105.19 105.50 1x63 n GLY 56 Ca 0.24 0.13 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 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 1.92 -0.56 -3.83 1.61 7.64 -1.26 -4.96 113.62 114.18 1x63 n SER 57 Ca 0.13 0.65 -0.10 0.00 1.01 0.00 0.00 58.87 60.56 1x63 n SER 57 Cb 0.35 -1.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.22 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 -1.83 0.53 -0.26 1.43 -0.71 -1.26 -3.60 117.98 112.28 1x63 s PHE 58 Ca 0.69 -0.87 -0.02 0.00 -1.04 0.00 0.00 56.93 55.68 1x63 s PHE 58 Cb -0.37 0.12 0.08 0.00 -1.21 0.00 0.00 43.02 41.65 1x63 s PHE 58 CO 0.54 -1.03 0.08 -0.06 -1.34 0.00 0.00 175.22 173.42 1x63 s PHE 59 N -3.77 1.07 -0.69 3.49 0.40 0.21 -4.83 117.98 113.86 1x63 s PHE 59 Ca 0.25 -1.16 -0.26 0.00 -0.60 0.00 0.00 56.93 55.16 1x63 s PHE 59 Cb -0.00 -1.23 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 1x63 s PHE 59 CO 0.11 -0.76 1.89 -1.25 0.70 0.00 0.00 175.22 175.91 1x63 s PRO 60 N 1.84 2.60 0.50 0.24 0.04 -1.26 -0.80 135.00 138.16 1x63 s PRO 60 Ca 0.05 0.37 -0.02 0.00 0.04 0.00 0.00 61.00 61.44 1x63 s PRO 60 Cb -0.17 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.80 1x63 s PRO 60 CO -0.21 -2.91 0.76 0.21 0.04 0.00 0.00 177.00 174.88 1x63 s LYS 61 N 7.04 3.03 -0.48 4.56 2.47 0.81 -4.90 119.74 132.27 1x63 s LYS 61 Ca 0.68 -0.30 -0.31 0.00 -1.56 0.00 0.00 55.97 54.49 1x63 s LYS 61 Cb -0.11 -2.45 -0.15 0.00 -1.46 0.00 0.00 37.83 33.66 1x63 s LYS 61 CO 0.15 -0.42 1.73 0.41 0.16 0.00 0.00 175.35 177.38 1x63 n GLY 62 N -2.26 -0.18 4.16 5.54 0.00 -1.26 0.13 105.19 111.31 1x63 n GLY 62 Ca 0.03 0.86 -0.31 0.00 0.00 0.00 0.00 46.02 46.59 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 5.87 -2.54 -3.68 1.61 4.07 -1.26 -4.91 120.64 119.80 1x63 n GLU 63 Ca 0.44 0.31 -0.05 0.00 -0.06 0.00 0.00 57.16 57.79 1x63 n GLU 63 Cb -0.02 -4.49 -0.02 0.00 -0.06 0.00 0.00 31.44 26.86 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 -3.99 -0.25 -0.32 4.31 1.01 0.35 -5.14 116.67 112.65 1x63 s ASP 64 Ca 0.27 -0.30 -0.01 0.00 0.71 0.00 0.00 52.55 53.22 1x63 s ASP 64 Cb -0.15 0.49 0.10 0.00 1.01 0.00 0.00 42.92 44.37 1x63 s ASP 64 CO 0.94 -0.88 0.12 -0.36 0.21 0.00 0.00 175.17 175.20 1x63 s PHE 65 N -3.33 1.34 -0.08 4.23 0.40 -1.26 -0.14 117.98 119.15 1x63 s PHE 65 Ca 0.10 -1.57 -0.17 0.00 -0.60 0.00 0.00 56.93 54.69 1x63 s PHE 65 Cb -0.02 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 1x63 s PHE 65 CO -0.01 -0.86 0.44 0.71 0.70 0.00 0.00 175.22 176.20 1x63 s TYR 66 N 1.62 3.59 0.47 0.36 1.51 0.02 -1.49 117.35 123.42 1x63 s TYR 66 Ca 0.11 0.91 -0.20 0.00 -1.01 0.00 0.00 57.07 56.87 1x63 s TYR 66 Cb -0.18 -2.45 -0.09 0.00 -0.11 0.00 0.00 41.96 39.13 1x63 s TYR 66 CO -0.25 0.34 1.01 0.00 -1.11 0.00 0.00 175.55 175.54 1x63 n VAL 68 N -0.86 -0.39 -0.03 0.00 0.31 -1.24 -1.02 118.33 115.10 1x63 n VAL 68 Ca 0.09 1.53 -0.03 0.00 -0.01 0.00 0.00 64.34 65.92 1x63 n VAL 68 Cb 0.53 -1.90 -0.02 0.00 -0.91 0.00 0.00 33.84 31.54 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 -0.90 2.52 2.02 -1.92 0.77 112.91 115.40 1x63 h THR 69 Ca 0.09 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.45 1x63 h THR 69 Cb 0.24 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.48 1x63 h THR 69 CO -0.54 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 175.10 1x63 h HIS 71 N -0.01 0.21 -0.09 0.00 2.76 -0.03 1.11 115.15 119.10 1x63 h HIS 71 Ca 0.42 -0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.38 1x63 h HIS 71 Cb 0.65 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 1x63 h HIS 71 CO -0.72 0.37 -0.73 0.93 -1.30 0.00 0.00 177.93 176.48 1x63 h GLU 72 N 0.19 0.46 0.00 5.26 4.39 0.81 0.68 114.58 126.38 1x63 h GLU 72 Ca 0.04 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1x63 h GLU 72 Cb 0.41 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1x63 h GLU 72 CO 0.03 1.01 -1.11 -2.37 -1.16 0.00 0.00 179.01 175.40 1x63 n THR 73 N -3.86 0.54 -0.07 1.13 5.66 0.14 -2.80 114.28 115.02 1x63 n THR 73 Ca -0.05 -0.53 -0.07 0.00 -3.05 0.00 0.00 64.05 60.35 1x63 n THR 73 Cb 0.71 -0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 69.17 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 0.00 0.00 0.00 1.09 3.64 0.13 -3.38 116.57 118.05 1x63 h LYS 74 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1x63 h LYS 74 Cb 0.99 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1x63 h LYS 74 CO 0.00 0.16 -0.43 0.74 -2.27 0.00 0.00 179.45 177.65 1x63 h PHE 75 N -1.00 0.00 0.00 1.91 -1.00 -1.06 -3.37 116.94 112.41 1x63 h PHE 75 Ca -0.05 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.57 1x63 h PHE 75 Cb 0.56 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.06 1x63 h PHE 75 CO -0.13 0.23 -0.33 0.00 -1.61 0.00 0.00 178.31 176.47 1x63 n ALA 76 N -3.32 6.00 -2.24 2.45 0.00 -0.79 -4.83 120.51 117.79 1x63 n ALA 76 Ca -0.08 -1.60 -0.33 0.00 0.00 0.00 0.00 53.44 51.43 1x63 n ALA 76 Cb 0.25 -2.18 -0.04 0.00 0.00 0.00 0.00 19.45 17.48 1x63 n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x63 s SER 77 N 2.02 5.64 -0.01 0.00 0.15 -1.12 -4.45 113.70 115.93 1x63 s SER 77 Ca 0.59 -1.69 -0.24 0.00 0.70 0.00 0.00 55.95 55.30 1x63 s SER 77 Cb 0.28 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 62.06 1x63 s SER 77 CO 0.00 -2.41 0.53 -0.83 1.20 0.00 0.00 173.24 171.73 1x63 s GLY 78 N 6.02 -0.41 -0.23 9.45 0.00 -1.26 -5.09 107.32 115.80 1x63 s GLY 78 Ca 0.63 0.83 -0.29 0.00 0.00 0.00 0.00 44.72 45.89 1x63 s GLY 78 CO 0.08 0.53 1.62 2.56 0.00 0.00 0.00 173.10 177.88 1x63 s PRO 79 N -1.58 3.77 -0.40 2.90 0.04 -1.26 -4.98 135.00 133.48 1x63 s PRO 79 Ca -0.10 1.63 -0.16 0.00 0.04 0.00 0.00 61.00 62.40 1x63 s PRO 79 Cb -0.02 -4.04 0.02 0.00 0.04 0.00 0.00 34.50 30.50 1x63 s PRO 79 CO 0.05 -1.33 0.39 0.45 0.04 0.00 0.00 177.00 176.60 1x63 s SER 80 N 4.31 6.17 0.37 6.66 0.15 -1.26 -5.06 113.70 125.04 1x63 s SER 80 Ca 0.71 -0.66 -0.27 0.00 0.70 0.00 0.00 55.95 56.43 1x63 s SER 80 Cb -0.24 -2.20 -0.09 0.00 -1.71 0.00 0.00 66.02 61.77 1x63 s SER 80 CO 0.29 -0.50 1.29 -0.55 1.20 0.00 0.00 173.24 174.97 1x63 s SER 81 N 1.76 6.53 0.00 5.45 0.15 -1.26 -5.33 113.70 121.00 1x63 s SER 81 Ca 0.10 2.63 0.27 0.00 0.70 0.00 0.00 55.95 59.66 1x63 s SER 81 Cb -0.17 -2.64 1.63 0.00 -1.71 0.00 0.00 66.02 63.13 1x63 s SER 81 CO 0.12 -0.70 1.98 0.61 1.20 0.00 0.00 173.24 176.45