#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 6.67 -0.03 1.61 0.15 -1.26 -5.08 113.70 115.76 1x63 s SER 2 Ca 0.00 1.11 -0.29 0.00 0.70 0.00 0.00 55.95 57.47 1x63 s SER 2 Cb 0.00 -2.31 0.11 0.00 -1.71 0.00 0.00 66.02 62.11 1x63 s SER 2 CO 0.00 -0.19 0.90 -0.94 1.20 0.00 0.00 173.24 174.20 1x63 s SER 3 N -2.48 -0.38 0.13 5.45 1.04 -1.26 -5.19 113.70 111.02 1x63 s SER 3 Ca 0.51 0.09 0.02 0.00 0.48 0.00 0.00 55.95 57.05 1x63 s SER 3 Cb -0.11 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1x63 s SER 3 CO 0.21 -0.58 -0.03 -0.83 0.98 0.00 0.00 173.24 172.99 1x63 s GLY 4 N -2.22 0.99 0.16 7.32 0.00 -1.26 -5.17 107.32 107.14 1x63 s GLY 4 Ca 0.03 -1.47 -0.07 0.00 0.00 0.00 0.00 44.72 43.21 1x63 s GLY 4 CO -0.07 -1.49 0.24 -1.35 0.00 0.00 0.00 173.10 170.43 1x63 s SER 5 N -3.11 0.09 0.04 1.64 1.04 -1.26 -5.06 113.70 107.09 1x63 s SER 5 Ca 0.18 -0.94 0.08 0.00 0.48 0.00 0.00 55.95 55.75 1x63 s SER 5 Cb 0.06 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 1x63 s SER 5 CO -0.00 -0.86 -0.21 -0.44 0.98 0.00 0.00 173.24 172.70 1x63 s SER 6 N -2.99 3.56 0.91 7.02 0.01 -1.26 -5.14 113.70 115.82 1x63 s SER 6 Ca 0.19 -0.49 -0.07 0.00 1.31 0.00 0.00 55.95 56.89 1x63 s SER 6 Cb 0.04 -0.49 0.10 0.00 0.21 0.00 0.00 66.02 65.89 1x63 s SER 6 CO 0.00 0.26 0.64 0.61 0.41 0.00 0.00 173.24 175.16 1x63 n GLY 7 N 1.64 -0.90 3.44 3.44 0.00 -1.26 -4.99 105.19 106.55 1x63 n GLY 7 Ca -0.16 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 1x63 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x63 s LYS 8 N -4.32 3.18 -0.23 1.61 -0.14 -1.26 -5.01 119.74 113.57 1x63 s LYS 8 Ca 0.37 -1.08 -0.21 0.00 -1.36 0.00 0.00 55.97 53.70 1x63 s LYS 8 Cb -0.01 -4.36 -0.02 0.00 -1.68 0.00 0.00 37.83 31.76 1x63 s LYS 8 CO 0.26 -1.76 0.64 0.00 -0.76 0.00 0.00 175.35 173.72 1x63 n THR 10 N 5.00 2.75 -3.86 0.00 5.66 -1.26 -4.85 114.28 117.71 1x63 n THR 10 Ca -0.01 -1.65 -0.12 0.00 -3.05 0.00 0.00 64.05 59.23 1x63 n THR 10 Cb 0.49 -1.24 -0.12 0.00 -1.55 0.00 0.00 70.33 67.91 1x63 n THR 10 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1x63 s THR 11 N -2.39 0.03 0.16 1.09 2.01 -1.26 -5.12 115.64 110.16 1x63 s THR 11 Ca 0.33 -0.24 -0.33 0.00 0.31 0.00 0.00 61.69 61.76 1x63 s THR 11 Cb 0.26 -0.22 -0.13 0.00 0.01 0.00 0.00 72.50 72.42 1x63 s THR 11 CO 0.00 -0.13 1.68 0.54 -0.69 0.00 0.00 174.62 176.02 1x63 n ARG 12 N 2.55 2.47 -0.08 4.92 1.74 -1.26 -4.92 116.66 122.07 1x63 n ARG 12 Ca -0.16 0.89 -0.08 0.00 -0.77 0.00 0.00 57.85 57.74 1x63 n ARG 12 Cb 0.58 -2.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.28 1x63 n ARG 12 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1x63 n GLU 13 N 4.03 0.49 -4.13 5.56 2.13 -1.26 -4.98 120.64 122.47 1x63 n GLU 13 Ca 0.17 0.39 -0.31 0.00 0.66 0.00 0.00 57.16 58.07 1x63 n GLU 13 Cb 0.32 -1.58 -0.04 0.00 0.27 0.00 0.00 31.44 30.41 1x63 n GLU 13 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1x63 n ASP 14 N -4.54 -1.13 -4.13 4.31 5.75 -1.26 -4.95 116.55 110.61 1x63 n ASP 14 Ca -0.12 -1.07 -0.16 0.00 -0.01 0.00 0.00 54.79 53.43 1x63 n ASP 14 Cb 0.40 -2.64 -0.12 0.00 -1.03 0.00 0.00 41.12 37.74 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 -3.97 1.36 -0.45 -1.12 0.01 -1.26 -5.10 113.70 103.17 1x63 s SER 15 Ca 0.28 -0.57 -0.28 0.00 1.31 0.00 0.00 55.95 56.69 1x63 s SER 15 Cb -0.15 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 1x63 s SER 15 CO 0.93 -0.11 1.76 -2.16 0.41 0.00 0.00 173.24 174.06 1x63 s PRO 16 N -1.61 3.12 0.38 12.44 0.04 -1.24 -4.83 135.00 143.30 1x63 s PRO 16 Ca -0.05 1.05 -0.24 0.00 0.04 0.00 0.00 61.00 61.81 1x63 s PRO 16 Cb -0.10 -4.24 -0.10 0.00 0.04 0.00 0.00 34.50 30.10 1x63 s PRO 16 CO 0.01 -2.13 0.98 0.15 0.04 0.00 0.00 177.00 176.05 1x63 s LYS 17 N 6.05 4.32 0.63 4.56 -0.14 -1.26 0.09 119.74 133.99 1x63 s LYS 17 Ca 0.72 1.31 -0.05 0.00 -1.36 0.00 0.00 55.97 56.59 1x63 s LYS 17 Cb -0.17 -2.50 0.04 0.00 -1.68 0.00 0.00 37.83 33.51 1x63 s LYS 17 CO 0.29 0.04 0.93 0.00 -0.76 0.00 0.00 175.35 175.84 1x63 n LYS 19 N -2.69 0.85 -0.05 0.00 4.76 -1.24 -3.46 118.16 116.33 1x63 n LYS 19 Ca 0.07 0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 1x63 n LYS 19 Cb 0.59 -1.17 -0.06 0.00 -1.84 0.00 0.00 35.03 32.55 1x63 n LYS 19 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1x63 h GLY 20 N 0.82 0.30 0.00 0.72 0.00 -1.91 -3.32 103.07 99.68 1x63 h GLY 20 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1x63 h GLY 20 CO -0.02 0.21 -0.93 0.00 0.00 0.00 0.00 176.54 175.80 1x63 n PHE 22 N -1.52 -2.01 -4.83 0.00 3.72 -1.22 -4.87 117.46 106.72 1x63 n PHE 22 Ca 0.01 0.60 -0.33 0.00 -0.05 0.00 0.00 57.45 57.68 1x63 n PHE 22 Cb 0.24 -4.30 -0.14 0.00 -0.94 0.00 0.00 39.48 34.34 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 -5.76 3.00 0.02 -1.08 1.02 -1.26 -4.73 119.74 110.95 1x63 s LYS 23 Ca 0.35 -0.69 -0.38 0.00 0.02 0.00 0.00 55.97 55.27 1x63 s LYS 23 Cb -0.15 -2.52 -0.17 0.00 -0.52 0.00 0.00 37.83 34.47 1x63 s LYS 23 CO 0.43 0.39 1.38 0.00 -0.92 0.00 0.00 175.35 176.64 1x63 n ALA 24 N 2.99 -1.07 -2.77 5.17 0.00 -1.26 -2.45 120.51 121.12 1x63 n ALA 24 Ca -0.18 0.50 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 1x63 n ALA 24 Cb 0.52 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.83 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 0.93 4.61 0.55 0.00 1.01 0.11 -4.88 121.20 123.53 1x63 s ILE 25 Ca 0.87 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 61.03 1x63 s ILE 25 Cb -1.00 -3.14 0.05 0.00 0.01 0.00 0.00 42.46 38.37 1x63 s ILE 25 CO 0.51 0.27 0.46 0.68 0.00 0.00 0.00 174.94 176.87 1x63 s VAL 26 N -1.25 1.72 -0.02 2.92 -7.23 -1.26 -3.62 120.40 111.65 1x63 s VAL 26 Ca 0.25 -1.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1x63 s VAL 26 Cb -0.12 -2.13 -0.00 0.00 0.56 0.00 0.00 36.38 34.69 1x63 s VAL 26 CO 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 174.95 1x63 h ALA 27 N 0.66 0.00 -1.21 1.32 0.00 -2.00 -3.35 119.26 114.69 1x63 h ALA 27 Ca -0.36 -0.05 0.40 0.00 0.00 0.00 0.00 54.91 54.90 1x63 h ALA 27 Cb 1.30 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1x63 h ALA 27 CO 0.55 0.02 0.80 0.41 0.00 0.00 0.00 179.25 181.03 1x63 n GLY 28 N 1.92 -0.69 3.79 0.00 0.00 -1.26 -4.30 105.19 104.64 1x63 n GLY 28 Ca -0.00 0.59 -0.36 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.23 6.67 -0.08 1.61 -1.08 -1.26 -5.00 116.67 113.30 1x63 s ASP 29 Ca -0.05 1.98 -0.30 0.00 -0.52 0.00 0.00 52.55 53.66 1x63 s ASP 29 Cb 0.24 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 39.10 1x63 s ASP 29 CO 0.66 -0.55 1.04 -1.10 0.52 0.00 0.00 175.17 175.74 1x63 s GLN 30 N -2.72 4.43 0.31 4.34 -0.21 -1.26 -4.87 119.66 119.68 1x63 s GLN 30 Ca 0.60 1.45 -0.05 0.00 0.02 0.00 0.00 55.36 57.38 1x63 s GLN 30 Cb -0.20 -3.53 0.00 0.00 1.00 0.00 0.00 33.01 30.28 1x63 s GLN 30 CO 0.24 -0.30 0.46 -0.80 -2.12 0.00 0.00 175.29 172.77 1x63 s ASN 31 N 1.14 0.58 -0.31 5.90 0.01 -1.26 -0.59 114.94 120.42 1x63 s ASN 31 Ca 0.50 -1.33 0.01 0.00 -0.71 0.00 0.00 52.86 51.33 1x63 s ASN 31 Cb -0.20 0.63 0.09 0.00 0.41 0.00 0.00 41.25 42.19 1x63 s ASN 31 CO 0.20 -1.24 0.06 -0.69 -1.51 0.00 0.00 177.10 173.91 1x63 s VAL 32 N -3.33 1.49 0.11 1.60 1.01 0.23 -4.58 120.40 116.93 1x63 s VAL 32 Ca 0.29 -1.73 -0.16 0.00 0.00 0.00 0.00 61.98 60.38 1x63 s VAL 32 Cb -0.00 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.25 1x63 s VAL 32 CO 0.17 -0.57 0.54 -0.70 0.00 0.00 0.00 175.10 174.53 1x63 s GLU 33 N 1.32 4.03 -0.22 2.72 2.12 -1.26 -1.08 118.70 126.32 1x63 s GLU 33 Ca 0.08 0.55 -0.04 0.00 0.36 0.00 0.00 54.97 55.92 1x63 s GLU 33 Cb -0.18 -3.05 0.09 0.00 0.26 0.00 0.00 34.13 31.25 1x63 s GLU 33 CO -0.16 0.55 0.19 -0.47 -0.54 0.00 0.00 175.26 174.83 1x63 s TYR 34 N -1.32 -0.10 -1.72 5.30 5.04 0.01 -4.89 117.35 119.65 1x63 s TYR 34 Ca 0.34 -0.14 -0.17 0.00 -2.44 0.00 0.00 57.07 54.66 1x63 s TYR 34 Cb -0.16 -0.54 0.15 0.00 0.35 0.00 0.00 41.96 41.76 1x63 s TYR 34 CO 0.18 -0.67 0.60 1.63 -1.34 0.00 0.00 175.55 175.95 1x63 n LYS 35 N 5.30 -2.07 0.00 4.97 5.02 -1.26 -2.31 118.16 127.81 1x63 n LYS 35 Ca -0.05 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1x63 n LYS 35 Cb 0.48 -4.74 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 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 -1.47 2.26 3.19 0.72 0.00 -1.26 -5.08 105.19 103.55 1x63 n GLY 36 Ca 0.01 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.98 -4.95 114.28 105.09 1x63 n THR 37 Ca 0.00 -0.21 -0.06 0.00 -2.27 0.00 0.00 64.05 61.51 1x63 n THR 37 Cb 0.00 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.16 0.00 -0.14 2.28 0.11 -1.26 -0.81 120.40 118.42 1x63 s VAL 38 Ca 0.49 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.56 1x63 s VAL 38 Cb -0.05 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.81 1x63 s VAL 38 CO 0.67 0.00 -0.18 0.26 -3.33 0.00 0.00 175.10 172.51 1x63 s TRP 39 N 1.35 2.41 0.28 1.54 0.51 -0.24 -3.64 118.94 121.15 1x63 s TRP 39 Ca -0.08 -1.27 -0.26 0.00 -2.12 0.00 0.00 56.10 52.36 1x63 s TRP 39 Cb -0.05 -1.69 -0.15 0.00 -0.81 0.00 0.00 33.47 30.77 1x63 s TRP 39 CO -0.16 -0.63 0.64 0.72 -0.51 0.00 0.00 176.95 177.01 1x63 n HIS 40 N 4.36 -0.07 0.06 -1.98 8.25 -1.26 -0.60 115.22 123.97 1x63 n HIS 40 Ca -0.19 0.80 0.17 0.00 -0.26 0.00 0.00 57.72 58.23 1x63 n HIS 40 Cb 0.51 -2.04 0.38 0.00 1.12 0.00 0.00 29.99 29.95 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 1.21 0.00 0.00 -0.41 3.64 -1.13 1.20 116.57 121.09 1x63 h LYS 41 Ca -0.34 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 58.66 1x63 h LYS 41 Cb 1.40 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.15 1x63 h LYS 41 CO 0.56 0.00 -2.41 -0.25 -2.27 0.00 0.00 179.45 175.08 1x63 n ASP 42 N -3.03 0.59 -0.09 4.20 8.00 -1.26 -3.54 116.55 121.43 1x63 n ASP 42 Ca 0.11 -0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.45 1x63 n ASP 42 Cb 1.13 0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 42.77 1x63 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x63 n PHE 44 N -4.41 2.51 -4.19 0.00 7.35 0.69 -4.87 117.46 114.53 1x63 n PHE 44 Ca -0.04 -0.24 -0.12 0.00 -0.76 0.00 0.00 57.45 56.30 1x63 n PHE 44 Cb 0.39 -2.76 -0.10 0.00 0.35 0.00 0.00 39.48 37.37 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 3.81 0.04 0.68 -2.13 -4.23 -1.26 -1.58 115.64 110.96 1x63 s THR 45 Ca 0.87 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 59.30 1x63 s THR 45 Cb -0.50 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 70.94 1x63 s THR 45 CO 0.42 -0.09 1.05 0.00 -0.54 0.00 0.00 174.62 175.46 1x63 n SER 47 N -2.91 0.17 -0.02 0.00 7.64 0.17 -3.41 113.62 115.25 1x63 n SER 47 Ca 0.06 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.92 1x63 n SER 47 Cb 0.57 1.84 -0.01 0.00 -1.01 0.00 0.00 64.21 65.61 1x63 n SER 47 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x63 n ASN 48 N -2.30 0.56 0.15 6.43 5.15 -1.26 -4.62 115.26 119.37 1x63 n ASN 48 Ca -0.07 0.26 0.06 0.00 -0.60 0.00 0.00 54.58 54.23 1x63 n ASN 48 Cb 0.62 -0.60 0.05 0.00 -0.53 0.00 0.00 39.78 39.33 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 -3.08 -3.98 -4.64 0.00 4.76 -1.22 -4.96 118.16 105.04 1x63 n LYS 50 Ca 0.01 0.65 -0.33 0.00 -2.87 0.00 0.00 58.31 55.78 1x63 n LYS 50 Cb 0.66 -4.99 -0.16 0.00 -1.84 0.00 0.00 35.03 28.70 1x63 n LYS 50 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1x63 s GLN 51 N -4.72 3.08 -0.43 1.97 -1.52 -1.26 -4.65 119.66 112.13 1x63 s GLN 51 Ca 0.11 -0.82 -0.41 0.00 -1.95 0.00 0.00 55.36 52.29 1x63 s GLN 51 Cb -0.01 -2.49 -0.17 0.00 -0.22 0.00 0.00 33.01 30.12 1x63 s GLN 51 CO 0.56 -0.00 2.04 0.28 -0.25 0.00 0.00 175.29 177.92 1x63 n VAL 52 N 4.06 0.09 -0.02 1.09 0.31 -1.26 -2.65 118.33 119.94 1x63 n VAL 52 Ca -0.20 -0.08 -0.22 0.00 -0.01 0.00 0.00 64.34 63.84 1x63 n VAL 52 Cb 0.52 -0.92 -0.13 0.00 -0.91 0.00 0.00 33.84 32.40 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 6.58 0.79 0.00 2.52 2.04 -1.55 -3.48 117.51 124.41 1x63 h ILE 53 Ca -0.23 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.32 1x63 h ILE 53 Cb 1.37 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.92 1x63 h ILE 53 CO 1.04 0.69 0.00 0.61 0.00 0.00 0.00 178.15 180.49 1x63 n GLY 54 N 1.78 1.51 0.37 5.37 0.00 -1.23 -1.83 105.19 111.15 1x63 n GLY 54 Ca -0.30 -0.49 0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 0.57 -2.02 2.61 1.35 -1.82 -3.43 112.91 110.16 1x63 h THR 55 Ca 0.00 -0.19 -0.58 0.00 -0.55 0.00 0.00 66.41 65.09 1x63 h THR 55 Cb 0.00 -0.04 0.21 0.00 -1.73 0.00 0.00 68.15 66.59 1x63 h THR 55 CO 0.00 0.10 -1.47 0.61 -0.25 0.00 0.00 175.52 174.52 1x63 n GLY 56 N -1.37 -3.85 3.76 5.82 0.00 -0.76 -4.85 105.19 103.93 1x63 n GLY 56 Ca 0.26 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1x63 n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x63 s SER 57 N -1.01 5.29 0.29 1.61 1.04 -1.26 -4.98 113.70 114.68 1x63 s SER 57 Ca 0.49 2.41 -0.14 0.00 0.48 0.00 0.00 55.95 59.19 1x63 s SER 57 Cb -0.35 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.18 1x63 s SER 57 CO 0.74 -1.52 0.59 0.72 0.98 0.00 0.00 173.24 174.74 1x63 s PHE 58 N -1.56 0.25 -0.33 5.02 -0.71 -1.26 -3.34 117.98 116.04 1x63 s PHE 58 Ca 0.76 -0.67 -0.01 0.00 -1.04 0.00 0.00 56.93 55.97 1x63 s PHE 58 Cb -0.31 0.39 0.11 0.00 -1.21 0.00 0.00 43.02 42.01 1x63 s PHE 58 CO 0.34 -1.16 0.14 -0.06 -1.34 0.00 0.00 175.22 173.15 1x63 s PHE 59 N -3.66 1.30 0.27 3.49 0.40 0.26 -4.69 117.98 115.34 1x63 s PHE 59 Ca 0.19 -1.63 -0.29 0.00 -0.60 0.00 0.00 56.93 54.60 1x63 s PHE 59 Cb -0.03 -1.45 -0.09 0.00 0.51 0.00 0.00 43.02 41.96 1x63 s PHE 59 CO 0.10 -0.85 1.26 -1.25 0.70 0.00 0.00 175.22 175.18 1x63 s PRO 60 N 1.46 4.44 0.28 0.24 0.04 -1.26 -0.72 135.00 139.48 1x63 s PRO 60 Ca 0.12 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1x63 s PRO 60 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1x63 s PRO 60 CO -0.20 -0.12 0.02 1.63 0.04 0.00 0.00 177.00 178.37 1x63 n LYS 61 N 1.60 1.30 -1.65 4.56 4.01 -0.20 -4.87 118.16 122.91 1x63 n LYS 61 Ca 0.02 -2.05 -0.39 0.00 -0.51 0.00 0.00 58.31 55.38 1x63 n LYS 61 Cb 0.43 0.53 -0.03 0.00 -0.51 0.00 0.00 35.03 35.45 1x63 n LYS 61 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1x63 s GLY 62 N -2.59 -0.05 -1.30 0.72 0.00 -1.26 -2.27 107.32 100.56 1x63 s GLY 62 Ca 0.01 0.17 -0.07 0.00 0.00 0.00 0.00 44.72 44.83 1x63 s GLY 62 CO 0.01 3.93 1.13 1.18 0.00 0.00 0.00 173.10 179.35 1x63 n GLU 63 N 8.93 -7.58 -3.85 2.90 4.71 -1.26 -4.96 120.64 119.53 1x63 n GLU 63 Ca 0.32 0.82 -0.01 0.00 -0.01 0.00 0.00 57.16 58.28 1x63 n GLU 63 Cb 0.51 -5.83 0.01 0.00 -1.01 0.00 0.00 31.44 25.12 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1x63 s ASP 64 N -3.54 -0.03 -0.05 1.62 1.01 -0.96 -5.16 116.67 109.55 1x63 s ASP 64 Ca 0.45 -0.46 -0.02 0.00 0.71 0.00 0.00 52.55 53.23 1x63 s ASP 64 Cb -0.20 0.38 0.04 0.00 1.01 0.00 0.00 42.92 44.15 1x63 s ASP 64 CO 0.72 -0.74 0.10 -0.36 0.21 0.00 0.00 175.17 175.10 1x63 s PHE 65 N -2.34 -0.08 -0.24 4.23 0.08 -1.26 -1.03 117.98 117.34 1x63 s PHE 65 Ca 0.21 0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.66 1x63 s PHE 65 Cb -0.01 -0.23 0.05 0.00 -0.57 0.00 0.00 43.02 42.26 1x63 s PHE 65 CO 0.02 -0.17 -0.12 0.71 -0.10 0.00 0.00 175.22 175.56 1x63 s TYR 66 N 1.56 3.06 0.65 0.36 1.51 0.10 0.43 117.35 125.01 1x63 s TYR 66 Ca -0.04 -2.12 -0.18 0.00 -1.01 0.00 0.00 57.07 53.72 1x63 s TYR 66 Cb -0.12 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1x63 s TYR 66 CO -0.05 -0.85 1.12 0.00 -1.11 0.00 0.00 175.55 174.67 1x63 n VAL 68 N -1.98 -0.09 -0.08 0.00 0.31 -1.21 -1.21 118.33 114.06 1x63 n VAL 68 Ca 0.15 1.11 -0.02 0.00 -0.01 0.00 0.00 64.34 65.57 1x63 n VAL 68 Cb 0.48 -1.45 -0.02 0.00 -0.91 0.00 0.00 33.84 31.94 1x63 n VAL 68 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1x63 n THR 69 N -3.09 -0.13 -0.35 2.52 -1.04 -1.26 0.84 114.28 111.77 1x63 n THR 69 Ca 0.00 1.66 0.07 0.00 -2.04 0.00 0.00 64.05 63.74 1x63 n THR 69 Cb 0.03 -2.16 0.17 0.00 -1.82 0.00 0.00 70.33 66.55 1x63 n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x63 h HIS 71 N 0.00 0.18 -0.37 0.00 2.76 0.69 0.68 115.15 119.10 1x63 h HIS 71 Ca 0.49 -0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.47 1x63 h HIS 71 Cb 0.82 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 1x63 h HIS 71 CO -0.70 0.48 -0.37 0.93 -1.30 0.00 0.00 177.93 176.97 1x63 h GLU 72 N 0.14 0.88 0.00 5.26 4.39 0.86 0.20 114.58 126.31 1x63 h GLU 72 Ca 0.02 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1x63 h GLU 72 Cb 0.67 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1x63 h GLU 72 CO 0.05 1.10 -0.88 -2.37 -1.16 0.00 0.00 179.01 175.75 1x63 n THR 73 N -4.06 0.32 -0.04 1.13 5.66 0.73 -3.15 114.28 114.87 1x63 n THR 73 Ca -0.02 -0.31 -0.03 0.00 -3.05 0.00 0.00 64.05 60.64 1x63 n THR 73 Cb 0.53 -0.03 -0.01 0.00 -1.55 0.00 0.00 70.33 69.28 1x63 n THR 73 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1x63 n LYS 74 N -2.15 0.25 -0.05 1.09 4.81 0.24 -4.79 118.16 117.57 1x63 n LYS 74 Ca 0.02 0.35 -0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1x63 n LYS 74 Cb 0.46 -1.22 -0.00 0.00 0.02 0.00 0.00 35.03 34.29 1x63 n LYS 74 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1x63 h PHE 75 N -0.55 -0.01 -4.33 5.64 -1.00 -0.84 -3.47 116.94 112.40 1x63 h PHE 75 Ca 0.00 -0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.27 1x63 h PHE 75 Cb 0.32 0.00 0.11 0.00 3.61 0.00 0.00 35.95 39.99 1x63 h PHE 75 CO -0.14 0.01 0.35 0.00 -1.61 0.00 0.00 178.31 176.92 1x63 s ALA 76 N -2.57 2.54 0.03 2.45 0.00 -0.61 -5.02 121.76 118.58 1x63 s ALA 76 Ca -0.00 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.17 1x63 s ALA 76 Cb -0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 1x63 s ALA 76 CO 0.02 -1.40 -0.18 0.45 0.00 0.00 0.00 175.76 174.65 1x63 s SER 77 N -3.63 2.13 0.00 0.00 0.15 -1.24 -4.04 113.70 107.07 1x63 s SER 77 Ca 0.59 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.79 1x63 s SER 77 Cb -0.15 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 1x63 s SER 77 CO 0.55 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.73 1x63 n GLY 78 N 2.04 4.00 0.00 9.45 0.00 -1.26 -4.95 105.19 114.46 1x63 n GLY 78 Ca -0.17 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.33 1x63 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x63 n PRO 79 N -1.25 0.49 -0.38 1.61 -0.04 -1.26 -3.99 135.00 130.18 1x63 n PRO 79 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1x63 n PRO 79 Cb 0.00 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 1x63 n PRO 79 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x63 h SER 80 N 0.00 -2.00 -4.15 3.54 4.64 -1.99 -3.40 113.55 110.18 1x63 h SER 80 Ca 0.00 0.32 -0.65 0.00 -0.47 0.00 0.00 61.79 60.99 1x63 h SER 80 Cb 0.00 0.90 -0.24 0.00 -0.31 0.00 0.00 62.40 62.75 1x63 h SER 80 CO 0.00 -0.26 -0.86 -0.55 -0.87 0.00 0.00 176.83 174.29 1x63 s SER 81 N -5.42 2.98 0.00 4.97 0.15 -1.26 -5.23 113.70 109.89 1x63 s SER 81 Ca -0.13 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 55.88 1x63 s SER 81 Cb 0.12 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1x63 s SER 81 CO 0.63 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.87