#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 -0.88 0.07 1.61 1.04 -1.26 -5.17 113.70 109.12 1x63 s SER 2 Ca 0.00 1.36 0.05 0.00 0.48 0.00 0.00 55.95 57.84 1x63 s SER 2 Cb 0.00 1.49 -0.03 0.00 0.10 0.00 0.00 66.02 67.58 1x63 s SER 2 CO 0.00 -0.21 -0.14 -0.55 0.98 0.00 0.00 173.24 173.32 1x63 s SER 3 N 1.78 1.71 -0.40 7.02 0.15 -1.26 -5.11 113.70 117.59 1x63 s SER 3 Ca -0.09 -0.62 0.03 0.00 0.70 0.00 0.00 55.95 55.97 1x63 s SER 3 Cb -0.06 -0.05 0.16 0.00 -1.71 0.00 0.00 66.02 64.36 1x63 s SER 3 CO -0.19 -0.07 0.39 -0.83 1.20 0.00 0.00 173.24 173.74 1x63 s GLY 4 N -1.76 0.21 -0.28 9.45 0.00 -1.26 -5.10 107.32 108.58 1x63 s GLY 4 Ca -0.01 -1.37 -0.08 0.00 0.00 0.00 0.00 44.72 43.26 1x63 s GLY 4 CO 0.02 2.63 0.60 -0.45 0.00 0.00 0.00 173.10 175.90 1x63 s SER 5 N 0.99 -1.01 -0.29 1.64 0.15 -1.26 -5.15 113.70 108.78 1x63 s SER 5 Ca 0.22 1.32 -0.17 0.00 0.70 0.00 0.00 55.95 58.02 1x63 s SER 5 Cb -0.10 2.10 0.16 0.00 -1.71 0.00 0.00 66.02 66.46 1x63 s SER 5 CO -0.06 -0.23 1.06 -0.55 1.20 0.00 0.00 173.24 174.66 1x63 s SER 6 N 2.84 -0.39 0.00 5.45 0.15 -1.26 -5.19 113.70 115.30 1x63 s SER 6 Ca 0.00 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1x63 s SER 6 Cb -0.13 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 1x63 s SER 6 CO -0.18 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1x63 n GLY 7 N 3.32 6.25 2.84 9.45 0.00 -1.26 -5.14 105.19 120.64 1x63 n GLY 7 Ca -0.17 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 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 0.16 1.12 -0.26 1.61 1.02 -1.26 -5.10 119.74 117.03 1x63 s LYS 8 Ca 0.00 -0.82 -0.16 0.00 0.02 0.00 0.00 55.97 55.01 1x63 s LYS 8 Cb 0.00 -2.35 0.08 0.00 -0.52 0.00 0.00 37.83 35.04 1x63 s LYS 8 CO 0.00 -0.68 0.65 0.00 -0.92 0.00 0.00 175.35 174.39 1x63 s THR 10 N 1.50 -0.88 -0.72 0.00 -1.32 -1.26 -5.11 115.64 107.85 1x63 s THR 10 Ca -0.09 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.31 1x63 s THR 10 Cb -0.05 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.12 1x63 s THR 10 CO -0.17 0.00 0.60 0.42 -2.21 0.00 0.00 174.62 173.26 1x63 s THR 11 N 2.81 4.63 0.00 5.08 -4.23 -1.26 -5.02 115.64 117.65 1x63 s THR 11 Ca -0.01 -2.74 -0.20 0.00 -1.18 0.00 0.00 61.69 57.56 1x63 s THR 11 Cb -0.11 -3.92 0.04 0.00 1.34 0.00 0.00 72.50 69.84 1x63 s THR 11 CO -0.19 -0.95 0.45 -0.60 -0.54 0.00 0.00 174.62 172.79 1x63 s ARG 12 N 0.03 0.87 1.37 3.99 6.06 -1.26 -5.17 118.95 124.84 1x63 s ARG 12 Ca 0.17 -0.15 -0.22 0.00 -2.50 0.00 0.00 55.73 53.04 1x63 s ARG 12 Cb -0.15 0.40 0.35 0.00 0.06 0.00 0.00 34.95 35.60 1x63 s ARG 12 CO -0.06 -0.28 0.98 -1.83 -2.50 0.00 0.00 175.30 171.61 1x63 s GLU 13 N -1.77 -2.52 -0.08 5.12 -1.05 -1.26 -4.82 118.70 112.31 1x63 s GLU 13 Ca -0.10 0.06 -0.39 0.00 -0.15 0.00 0.00 54.97 54.40 1x63 s GLU 13 Cb -0.02 -1.43 -0.18 0.00 -0.44 0.00 0.00 34.13 32.06 1x63 s GLU 13 CO 0.03 -4.59 1.40 -0.25 0.95 0.00 0.00 175.26 172.79 1x63 n ASP 14 N -5.42 1.39 -3.77 0.83 9.92 -1.26 -4.95 116.55 113.29 1x63 n ASP 14 Ca 0.13 1.13 -0.10 0.00 -0.53 0.00 0.00 54.79 55.42 1x63 n ASP 14 Cb 0.60 -1.08 -0.06 0.00 -0.64 0.00 0.00 41.12 39.94 1x63 n ASP 14 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1x63 s SER 15 N 1.33 -0.07 -0.53 -2.24 0.01 -1.26 -5.11 113.70 105.83 1x63 s SER 15 Ca 0.91 -0.54 -0.27 0.00 1.31 0.00 0.00 55.95 57.37 1x63 s SER 15 Cb -1.11 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 65.53 1x63 s SER 15 CO 0.57 -0.83 1.81 -2.16 0.41 0.00 0.00 173.24 173.04 1x63 s PRO 16 N -3.86 2.85 0.35 12.44 0.04 -1.24 -4.81 135.00 140.78 1x63 s PRO 16 Ca 0.06 0.82 -0.26 0.00 0.04 0.00 0.00 61.00 61.66 1x63 s PRO 16 Cb 0.03 -4.32 -0.09 0.00 0.04 0.00 0.00 34.50 30.16 1x63 s PRO 16 CO -0.09 -2.45 1.09 0.15 0.04 0.00 0.00 177.00 175.74 1x63 s LYS 17 N 6.58 4.34 0.67 4.56 -0.14 -1.26 0.54 119.74 135.03 1x63 s LYS 17 Ca 0.70 1.70 -0.10 0.00 -1.36 0.00 0.00 55.97 56.91 1x63 s LYS 17 Cb -0.15 -2.84 0.02 0.00 -1.68 0.00 0.00 37.83 33.18 1x63 s LYS 17 CO 0.24 -0.03 1.04 0.00 -0.76 0.00 0.00 175.35 175.84 1x63 n LYS 19 N -2.89 0.39 0.31 0.00 0.00 -1.21 -3.58 118.16 111.18 1x63 n LYS 19 Ca 0.06 0.10 -0.12 0.00 0.00 0.00 0.00 58.31 58.35 1x63 n LYS 19 Cb 0.58 -1.29 -0.06 0.00 0.00 0.00 0.00 35.03 34.26 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 1.00 -0.83 0.96 3.14 0.00 -1.92 -3.30 103.07 102.10 1x63 h GLY 20 Ca -0.36 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1x63 h GLY 20 CO -0.08 -0.30 -0.90 0.00 0.00 0.00 0.00 176.54 175.26 1x63 n PHE 22 N -2.33 -0.84 -4.66 0.00 3.72 -1.23 -5.02 117.46 107.10 1x63 n PHE 22 Ca 0.01 0.15 -0.33 0.00 -0.05 0.00 0.00 57.45 57.23 1x63 n PHE 22 Cb 0.49 -2.85 -0.13 0.00 -0.94 0.00 0.00 39.48 36.05 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 -4.89 3.13 0.07 -1.08 1.02 -1.26 -4.71 119.74 112.02 1x63 s LYS 23 Ca 0.08 -0.60 -0.37 0.00 0.02 0.00 0.00 55.97 55.10 1x63 s LYS 23 Cb -0.04 -2.65 -0.18 0.00 -0.52 0.00 0.00 37.83 34.45 1x63 s LYS 23 CO 0.10 0.42 1.24 0.00 -0.92 0.00 0.00 175.35 176.19 1x63 n ALA 24 N 2.94 -1.82 -2.86 5.17 0.00 -1.26 -2.07 120.51 120.62 1x63 n ALA 24 Ca -0.18 0.54 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 1x63 n ALA 24 Cb 0.53 -1.97 -0.05 0.00 0.00 0.00 0.00 19.45 17.95 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 0.28 5.13 0.56 0.00 1.01 0.19 -4.83 121.20 123.54 1x63 s ILE 25 Ca 0.86 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 61.20 1x63 s ILE 25 Cb -1.05 -3.42 0.05 0.00 0.01 0.00 0.00 42.46 38.05 1x63 s ILE 25 CO 0.50 0.26 0.41 0.68 0.00 0.00 0.00 174.94 176.79 1x63 s VAL 26 N -1.35 1.55 -0.08 2.92 -7.23 -1.26 -3.66 120.40 111.30 1x63 s VAL 26 Ca 0.28 -1.50 -0.02 0.00 -1.81 0.00 0.00 61.98 58.93 1x63 s VAL 26 Cb -0.12 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 1x63 s VAL 26 CO 0.20 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.95 1x63 h ALA 27 N 0.71 0.00 -1.23 1.32 0.00 -1.99 -3.36 119.26 114.70 1x63 h ALA 27 Ca -0.36 -0.17 0.45 0.00 0.00 0.00 0.00 54.91 54.83 1x63 h ALA 27 Cb 1.31 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 19.08 1x63 h ALA 27 CO 0.57 0.13 0.76 0.41 0.00 0.00 0.00 179.25 181.12 1x63 n GLY 28 N 1.78 -0.79 3.78 0.00 0.00 -1.26 -4.40 105.19 104.30 1x63 n GLY 28 Ca -0.02 0.75 -0.33 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.35 5.52 -0.50 1.61 -1.08 -1.26 -4.98 116.67 111.62 1x63 s ASP 29 Ca -0.08 1.95 -0.23 0.00 -0.52 0.00 0.00 52.55 53.67 1x63 s ASP 29 Cb 0.31 -2.55 0.04 0.00 -1.46 0.00 0.00 42.92 39.26 1x63 s ASP 29 CO 0.78 -1.35 0.83 -1.10 0.52 0.00 0.00 175.17 174.85 1x63 s GLN 30 N -3.93 3.33 0.46 4.34 -1.52 -1.26 -4.90 119.66 116.19 1x63 s GLN 30 Ca 0.66 -0.28 0.02 0.00 -1.95 0.00 0.00 55.36 53.82 1x63 s GLN 30 Cb -0.19 -4.01 -0.01 0.00 -0.22 0.00 0.00 33.01 28.58 1x63 s GLN 30 CO 0.37 -1.28 0.08 0.27 -0.25 0.00 0.00 175.29 174.47 1x63 n ASN 31 N 6.95 2.28 -3.69 5.90 0.23 -1.26 0.66 115.26 126.33 1x63 n ASN 31 Ca 0.01 -3.21 -0.29 0.00 -0.53 0.00 0.00 54.58 50.56 1x63 n ASN 31 Cb 0.47 0.71 -0.15 0.00 -2.08 0.00 0.00 39.78 38.73 1x63 n ASN 31 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1x63 s VAL 32 N -2.97 0.56 -0.09 3.53 1.01 0.66 -4.68 120.40 118.42 1x63 s VAL 32 Ca 0.11 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1x63 s VAL 32 Cb 0.01 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1x63 s VAL 32 CO 0.08 -0.56 0.41 -0.70 0.00 0.00 0.00 175.10 174.32 1x63 s GLU 33 N 1.79 4.18 -0.21 2.72 2.12 -1.26 -0.52 118.70 127.52 1x63 s GLU 33 Ca 0.07 0.34 -0.04 0.00 0.36 0.00 0.00 54.97 55.70 1x63 s GLU 33 Cb -0.17 -3.36 0.09 0.00 0.26 0.00 0.00 34.13 30.95 1x63 s GLU 33 CO -0.23 0.35 0.22 -0.47 -0.54 0.00 0.00 175.26 174.59 1x63 s TYR 34 N 0.03 -0.26 -1.40 5.30 6.14 0.65 -4.89 117.35 122.92 1x63 s TYR 34 Ca 0.23 0.17 -0.07 0.00 0.64 0.00 0.00 57.07 58.03 1x63 s TYR 34 Cb -0.15 -0.39 0.04 0.00 0.42 0.00 0.00 41.96 41.88 1x63 s TYR 34 CO 0.10 -0.62 0.93 1.63 0.64 0.00 0.00 175.55 178.22 1x63 n LYS 35 N 5.32 -5.88 0.00 4.97 5.02 -1.26 -3.37 118.16 122.96 1x63 n LYS 35 Ca -0.05 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1x63 n LYS 35 Cb 0.49 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 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 -1.65 2.02 3.43 0.72 0.00 -1.26 -5.03 105.19 103.41 1x63 n GLY 36 Ca -0.11 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 1x63 n GLY 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x63 n THR 37 N 0.00 1.55 -3.74 2.61 -1.04 -1.22 -4.93 114.28 107.51 1x63 n THR 37 Ca 0.00 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.05 61.47 1x63 n THR 37 Cb 0.00 -0.66 -0.14 0.00 -1.82 0.00 0.00 70.33 67.71 1x63 n THR 37 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1x63 s VAL 38 N -1.93 -0.05 -0.16 12.58 0.11 -1.26 -0.25 120.40 129.43 1x63 s VAL 38 Ca 0.64 0.18 -0.02 0.00 -2.93 0.00 0.00 61.98 59.85 1x63 s VAL 38 Cb -0.35 -0.27 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 1x63 s VAL 38 CO 0.60 0.07 -0.09 0.26 -3.33 0.00 0.00 175.10 172.61 1x63 s TRP 39 N 1.22 2.89 0.40 1.54 0.51 0.32 -3.33 118.94 122.48 1x63 s TRP 39 Ca -0.09 -0.72 -0.24 0.00 -2.12 0.00 0.00 56.10 52.93 1x63 s TRP 39 Cb -0.11 -1.94 -0.12 0.00 -0.81 0.00 0.00 33.47 30.48 1x63 s TRP 39 CO -0.07 -0.31 0.85 0.72 -0.51 0.00 0.00 176.95 177.64 1x63 n HIS 40 N 3.96 0.63 -0.26 -1.98 8.25 -1.26 -0.25 115.22 124.31 1x63 n HIS 40 Ca -0.18 0.60 0.32 0.00 -0.26 0.00 0.00 57.72 58.20 1x63 n HIS 40 Cb 0.52 -2.15 0.59 0.00 1.12 0.00 0.00 29.99 30.07 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 1.34 0.00 0.00 -0.41 3.64 -0.04 1.31 116.57 122.41 1x63 h LYS 41 Ca -0.42 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.62 1x63 h LYS 41 Cb 1.36 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.12 1x63 h LYS 41 CO 0.56 0.00 -2.21 -3.47 -2.27 0.00 0.00 179.45 172.06 1x63 n ASP 42 N -3.53 0.22 -0.02 4.20 -0.08 -1.26 -3.12 116.55 112.95 1x63 n ASP 42 Ca 0.24 0.10 -0.13 0.00 -1.51 0.00 0.00 54.79 53.50 1x63 n ASP 42 Cb 1.43 0.75 -0.09 0.00 2.34 0.00 0.00 41.12 45.56 1x63 n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x63 n PHE 44 N -4.79 1.44 -4.60 0.00 7.35 0.42 -4.88 117.46 112.40 1x63 n PHE 44 Ca -0.07 0.15 -0.27 0.00 -0.76 0.00 0.00 57.45 56.49 1x63 n PHE 44 Cb 0.26 -2.59 -0.11 0.00 0.35 0.00 0.00 39.48 37.39 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 9.90 1.84 0.69 -2.13 -4.23 -1.26 0.39 115.64 120.84 1x63 s THR 45 Ca 1.07 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.48 1x63 s THR 45 Cb -0.53 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.41 1x63 s THR 45 CO 0.37 0.00 1.05 0.00 -0.54 0.00 0.00 174.62 175.50 1x63 n SER 47 N -2.94 0.08 0.00 0.00 3.41 -0.82 -3.46 113.62 109.88 1x63 n SER 47 Ca 0.07 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1x63 n SER 47 Cb 0.58 1.57 0.00 0.00 -0.26 0.00 0.00 64.21 66.10 1x63 n SER 47 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1x63 n ASN 48 N -2.44 0.00 0.20 4.04 5.15 -1.26 -4.61 115.26 116.33 1x63 n ASN 48 Ca -0.12 0.15 0.09 0.00 -0.60 0.00 0.00 54.58 54.10 1x63 n ASN 48 Cb 0.75 -0.48 0.19 0.00 -0.53 0.00 0.00 39.78 39.70 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 -3.16 -5.69 -4.38 0.00 4.76 -1.22 -4.95 118.16 103.51 1x63 n LYS 50 Ca 0.03 0.69 -0.34 0.00 -2.87 0.00 0.00 58.31 55.82 1x63 n LYS 50 Cb 0.57 -5.25 -0.13 0.00 -1.84 0.00 0.00 35.03 28.38 1x63 n LYS 50 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1x63 s GLN 51 N -5.36 3.49 -0.44 1.97 -2.07 -1.26 -4.59 119.66 111.40 1x63 s GLN 51 Ca 0.13 -0.61 -0.43 0.00 -1.82 0.00 0.00 55.36 52.64 1x63 s GLN 51 Cb -0.06 -2.85 -0.17 0.00 -1.09 0.00 0.00 33.01 28.84 1x63 s GLN 51 CO 0.59 0.10 1.94 0.28 -1.32 0.00 0.00 175.29 176.89 1x63 n VAL 52 N 3.91 0.09 -0.04 3.63 0.31 -1.26 -2.56 118.33 122.40 1x63 n VAL 52 Ca -0.18 -0.05 -0.22 0.00 -0.01 0.00 0.00 64.34 63.88 1x63 n VAL 52 Cb 0.52 -0.82 -0.13 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 6.20 0.76 -0.03 2.52 2.04 -0.32 -3.48 117.51 125.21 1x63 h ILE 53 Ca -0.28 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1x63 h ILE 53 Cb 1.37 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1x63 h ILE 53 CO 1.03 0.63 0.00 0.61 0.00 0.00 0.00 178.15 180.42 1x63 n GLY 54 N 1.74 0.96 0.33 5.37 0.00 -1.07 -2.12 105.19 110.39 1x63 n GLY 54 Ca -0.32 -0.61 0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 0.07 -1.51 2.61 1.35 -1.85 -3.42 112.91 110.16 1x63 h THR 55 Ca 0.00 -0.02 -0.44 0.00 -0.55 0.00 0.00 66.41 65.40 1x63 h THR 55 Cb 0.00 0.01 0.15 0.00 -1.73 0.00 0.00 68.15 66.58 1x63 h THR 55 CO 0.00 0.01 -1.01 0.61 -0.25 0.00 0.00 175.52 174.88 1x63 n GLY 56 N -1.39 -2.71 3.76 5.82 0.00 -0.90 -4.82 105.19 104.96 1x63 n GLY 56 Ca 0.28 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1x63 n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x63 s SER 57 N -0.75 5.93 0.28 1.61 0.01 -1.26 -5.00 113.70 114.51 1x63 s SER 57 Ca 0.40 2.53 0.01 0.00 1.31 0.00 0.00 55.95 60.19 1x63 s SER 57 Cb -0.31 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.27 1x63 s SER 57 CO 0.53 -1.10 0.28 0.72 0.41 0.00 0.00 173.24 174.08 1x63 s PHE 58 N -1.40 1.28 -0.33 2.43 -0.71 -1.26 -3.38 117.98 114.60 1x63 s PHE 58 Ca 0.64 -1.40 -0.01 0.00 -1.04 0.00 0.00 56.93 55.12 1x63 s PHE 58 Cb -0.34 -0.46 0.11 0.00 -1.21 0.00 0.00 43.02 41.12 1x63 s PHE 58 CO 0.42 -0.84 0.14 -0.06 -1.34 0.00 0.00 175.22 173.54 1x63 s PHE 59 N -3.70 1.23 -0.63 3.49 0.40 0.18 -4.82 117.98 114.13 1x63 s PHE 59 Ca 0.37 -1.58 -0.26 0.00 -0.60 0.00 0.00 56.93 54.85 1x63 s PHE 59 Cb 0.03 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 42.14 1x63 s PHE 59 CO 0.19 -0.85 1.87 -1.25 0.70 0.00 0.00 175.22 175.88 1x63 s PRO 60 N 1.50 2.62 -1.04 0.24 0.04 -1.26 -1.88 135.00 135.21 1x63 s PRO 60 Ca 0.12 0.55 -0.19 0.00 0.04 0.00 0.00 61.00 61.52 1x63 s PRO 60 Cb -0.19 -4.43 0.12 0.00 0.04 0.00 0.00 34.50 30.04 1x63 s PRO 60 CO -0.21 -2.78 1.32 0.21 0.04 0.00 0.00 177.00 175.58 1x63 s LYS 61 N 7.04 3.74 0.00 4.56 2.47 -0.67 -4.78 119.74 132.10 1x63 s LYS 61 Ca 0.67 -1.81 0.00 0.00 -1.56 0.00 0.00 55.97 53.27 1x63 s LYS 61 Cb -0.12 -5.11 0.00 0.00 -1.46 0.00 0.00 37.83 31.14 1x63 s LYS 61 CO 0.19 -1.92 0.00 0.41 0.16 0.00 0.00 175.35 174.20 1x63 n GLY 62 N 5.51 1.07 0.00 5.54 0.00 -1.26 -2.00 105.19 114.05 1x63 n GLY 62 Ca 0.31 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 2.55 -1.87 1.61 2.13 -1.26 -5.08 120.64 118.72 1x63 n GLU 63 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1x63 n GLU 63 Cb 0.00 -0.84 0.12 0.00 0.27 0.00 0.00 31.44 30.99 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1x63 s ASP 64 N -2.15 4.02 -0.35 4.31 1.01 -0.85 -5.07 116.67 117.59 1x63 s ASP 64 Ca 0.00 0.66 -0.00 0.00 0.71 0.00 0.00 52.55 53.91 1x63 s ASP 64 Cb 0.00 -1.03 0.12 0.00 1.01 0.00 0.00 42.92 43.02 1x63 s ASP 64 CO 0.00 -2.20 0.16 -0.36 0.21 0.00 0.00 175.17 172.98 1x63 s PHE 65 N -3.63 1.38 -0.05 4.23 0.08 -1.26 -1.67 117.98 117.06 1x63 s PHE 65 Ca 0.65 -1.78 -0.18 0.00 0.12 0.00 0.00 56.93 55.74 1x63 s PHE 65 Cb -0.09 -1.48 -0.05 0.00 -0.57 0.00 0.00 43.02 40.82 1x63 s PHE 65 CO 0.50 -0.84 0.51 0.71 -0.10 0.00 0.00 175.22 176.01 1x63 s TYR 66 N 1.23 3.62 0.42 0.36 1.51 -0.78 -1.95 117.35 121.76 1x63 s TYR 66 Ca 0.14 1.04 -0.23 0.00 -1.01 0.00 0.00 57.07 57.01 1x63 s TYR 66 Cb -0.20 -2.52 -0.09 0.00 -0.11 0.00 0.00 41.96 39.03 1x63 s TYR 66 CO -0.14 0.34 1.01 0.00 -1.11 0.00 0.00 175.55 175.65 1x63 n VAL 68 N -0.34 -0.14 -0.07 0.00 0.31 -1.22 -0.57 118.33 116.31 1x63 n VAL 68 Ca 0.06 1.06 -0.03 0.00 -0.01 0.00 0.00 64.34 65.42 1x63 n VAL 68 Cb 0.51 -1.37 -0.02 0.00 -0.91 0.00 0.00 33.84 32.05 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 -0.92 2.52 2.02 -1.92 1.77 112.91 116.38 1x63 h THR 69 Ca 0.03 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.48 1x63 h THR 69 Cb 0.08 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.34 1x63 h THR 69 CO -0.19 0.00 0.26 0.00 0.37 0.00 0.00 175.52 175.96 1x63 h HIS 71 N 0.17 0.00 0.10 0.00 2.76 0.17 0.57 115.15 118.91 1x63 h HIS 71 Ca 0.60 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 58.52 1x63 h HIS 71 Cb 1.29 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.24 1x63 h HIS 71 CO -0.26 0.21 -1.19 0.93 -1.30 0.00 0.00 177.93 176.32 1x63 h GLU 72 N 0.00 0.20 0.04 5.26 4.39 1.38 -2.86 114.58 122.99 1x63 h GLU 72 Ca -0.00 -0.35 -0.36 0.00 0.34 0.00 0.00 59.36 58.99 1x63 h GLU 72 Cb 0.95 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.68 1x63 h GLU 72 CO 0.03 1.16 -2.20 -2.37 -1.16 0.00 0.00 179.01 174.47 1x63 n THR 73 N -3.49 1.59 0.23 1.13 5.66 0.14 -3.33 114.28 116.20 1x63 n THR 73 Ca -0.06 -0.68 -0.15 0.00 -3.05 0.00 0.00 64.05 60.11 1x63 n THR 73 Cb 1.00 -1.31 -0.08 0.00 -1.55 0.00 0.00 70.33 68.39 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 0.02 -0.54 0.00 1.09 3.64 -0.00 -3.35 116.57 117.43 1x63 h LYS 74 Ca -0.48 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1x63 h LYS 74 Cb 2.02 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.96 1x63 h LYS 74 CO 0.01 -0.28 0.00 1.19 -2.27 0.00 0.00 179.45 178.11 1x63 n PHE 75 N -5.27 0.00 -0.74 1.91 3.72 -1.12 -4.98 117.46 110.99 1x63 n PHE 75 Ca -0.11 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.96 1x63 n PHE 75 Cb 0.28 -0.04 0.14 0.00 -0.94 0.00 0.00 39.48 38.92 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 -1.76 -4.53 -1.70 4.37 0.00 -1.09 -4.70 120.51 111.09 1x63 n ALA 76 Ca 0.00 -1.33 -0.35 0.00 0.00 0.00 0.00 53.44 51.76 1x63 n ALA 76 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.66 4.63 0.98 0.00 0.15 -1.24 -4.25 113.70 112.32 1x63 s SER 77 Ca 0.52 0.74 -0.16 0.00 0.70 0.00 0.00 55.95 57.74 1x63 s SER 77 Cb -0.07 -2.51 0.22 0.00 -1.71 0.00 0.00 66.02 61.95 1x63 s SER 77 CO 0.66 -2.83 1.34 -0.83 1.20 0.00 0.00 173.24 172.78 1x63 s GLY 78 N 10.88 1.81 0.70 9.45 0.00 -1.21 -4.80 107.32 124.15 1x63 s GLY 78 Ca 0.88 -1.31 -0.12 0.00 0.00 0.00 0.00 44.72 44.18 1x63 s GLY 78 CO 0.22 -0.49 0.62 -1.55 0.00 0.00 0.00 173.10 171.89 1x63 n PRO 79 N -3.82 -2.24 -0.20 2.90 -0.04 -1.26 -4.91 135.00 125.42 1x63 n PRO 79 Ca 0.16 -0.99 -0.02 0.00 -0.04 0.00 0.00 63.50 62.62 1x63 n PRO 79 Cb 0.59 -0.93 0.05 0.00 -0.04 0.00 0.00 33.50 33.17 1x63 n PRO 79 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1x63 h SER 80 N -2.00 -0.61 -3.32 3.54 0.02 -2.03 -3.38 113.55 105.77 1x63 h SER 80 Ca -0.23 0.18 -0.57 0.00 -0.84 0.00 0.00 61.79 60.33 1x63 h SER 80 Cb 0.71 0.39 -0.06 0.00 0.14 0.00 0.00 62.40 63.58 1x63 h SER 80 CO 0.15 -0.21 -0.04 -0.44 -1.14 0.00 0.00 176.83 175.15 1x63 s SER 81 N -5.22 6.87 0.00 3.07 0.01 -1.26 -5.29 113.70 111.88 1x63 s SER 81 Ca -0.14 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1x63 s SER 81 Cb 0.18 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1x63 s SER 81 CO 0.73 0.01 0.00 0.61 0.41 0.00 0.00 173.24 175.00