#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 4.63 -0.08 1.61 0.15 -1.26 -5.05 113.70 113.70 1x63 s SER 2 Ca 0.00 -3.25 -0.00 0.00 0.70 0.00 0.00 55.95 53.40 1x63 s SER 2 Cb 0.00 -1.68 0.02 0.00 -1.71 0.00 0.00 66.02 62.65 1x63 s SER 2 CO 0.00 -0.21 -0.05 -0.55 1.20 0.00 0.00 173.24 173.63 1x63 s SER 3 N -0.47 1.72 0.00 5.45 0.15 -1.26 -5.09 113.70 114.20 1x63 s SER 3 Ca 0.19 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1x63 s SER 3 Cb -0.19 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.47 1x63 s SER 3 CO -0.05 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1x63 n GLY 4 N 4.67 1.58 3.55 9.45 0.00 -1.26 -5.09 105.19 118.09 1x63 n GLY 4 Ca -0.15 -2.04 -0.16 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.65 0.51 1.61 0.15 -1.26 -5.13 113.70 108.94 1x63 s SER 5 Ca 0.00 0.86 -0.11 0.00 0.70 0.00 0.00 55.95 57.40 1x63 s SER 5 Cb 0.00 0.74 -0.06 0.00 -1.71 0.00 0.00 66.02 65.00 1x63 s SER 5 CO 0.00 -0.49 0.91 -0.44 1.20 0.00 0.00 173.24 174.42 1x63 s SER 6 N -0.77 6.42 0.00 5.45 0.01 -1.26 -4.88 113.70 118.66 1x63 s SER 6 Ca -0.07 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1x63 s SER 6 Cb -0.01 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1x63 s SER 6 CO 0.07 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1x63 n GLY 7 N -1.98 -0.82 3.64 3.44 0.00 -1.26 -5.14 105.19 103.07 1x63 n GLY 7 Ca 0.04 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1x63 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x63 s LYS 8 N -1.23 0.58 0.24 1.61 -2.85 -1.26 -5.18 119.74 111.66 1x63 s LYS 8 Ca 0.00 0.78 0.07 0.00 -1.00 0.00 0.00 55.97 55.82 1x63 s LYS 8 Cb 0.00 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 1x63 s LYS 8 CO 0.00 -0.08 0.14 0.00 0.10 0.00 0.00 175.35 175.50 1x63 s THR 10 N -2.13 3.64 -0.20 0.00 -4.23 -1.26 -4.98 115.64 106.48 1x63 s THR 10 Ca 0.32 0.75 -0.16 0.00 -1.18 0.00 0.00 61.69 61.42 1x63 s THR 10 Cb -0.08 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1x63 s THR 10 CO 0.23 -0.15 0.41 -0.89 -0.54 0.00 0.00 174.62 173.68 1x63 s THR 11 N 4.59 5.19 -0.47 3.99 2.01 -1.26 -4.97 115.64 124.72 1x63 s THR 11 Ca 0.73 0.73 -0.02 0.00 0.31 0.00 0.00 61.69 63.44 1x63 s THR 11 Cb -0.30 -3.74 0.28 0.00 0.01 0.00 0.00 72.50 68.75 1x63 s THR 11 CO 0.29 0.25 2.12 0.54 -0.69 0.00 0.00 174.62 177.13 1x63 n ARG 12 N 4.47 2.21 -4.29 4.92 1.74 -1.26 -4.91 116.66 119.54 1x63 n ARG 12 Ca -0.08 -2.31 -0.23 0.00 -0.77 0.00 0.00 57.85 54.46 1x63 n ARG 12 Cb 0.51 -1.93 -0.12 0.00 -1.02 0.00 0.00 32.46 29.90 1x63 n ARG 12 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1x63 s GLU 13 N -2.56 1.14 -0.65 5.56 2.02 -1.26 -5.10 118.70 117.84 1x63 s GLU 13 Ca 0.46 -1.20 -0.18 0.00 0.02 0.00 0.00 54.97 54.07 1x63 s GLU 13 Cb 0.35 -1.35 0.13 0.00 0.10 0.00 0.00 34.13 33.36 1x63 s GLU 13 CO -0.06 0.31 0.73 -0.51 0.02 0.00 0.00 175.26 175.75 1x63 s ASP 14 N -2.05 6.31 -0.08 -0.19 1.01 -1.26 -5.01 116.67 115.40 1x63 s ASP 14 Ca 0.08 -1.72 -0.12 0.00 0.71 0.00 0.00 52.55 51.50 1x63 s ASP 14 Cb -0.09 -2.29 0.03 0.00 1.01 0.00 0.00 42.92 41.58 1x63 s ASP 14 CO 0.05 -1.00 0.30 -0.44 0.21 0.00 0.00 175.17 174.29 1x63 s SER 15 N 3.42 -0.27 -0.60 0.27 0.01 -1.26 -5.11 113.70 110.17 1x63 s SER 15 Ca 0.13 0.44 -0.27 0.00 1.31 0.00 0.00 55.95 57.57 1x63 s SER 15 Cb -0.21 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.53 1x63 s SER 15 CO 0.02 -0.21 1.86 -2.16 0.41 0.00 0.00 173.24 173.16 1x63 s PRO 16 N -0.31 2.66 0.28 12.44 0.04 -1.24 -4.80 135.00 144.07 1x63 s PRO 16 Ca -0.04 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.35 1x63 s PRO 16 Cb -0.03 -4.38 -0.10 0.00 0.04 0.00 0.00 34.50 30.03 1x63 s PRO 16 CO 0.02 -2.69 1.12 0.15 0.04 0.00 0.00 177.00 175.64 1x63 s LYS 17 N 6.97 4.61 0.75 4.56 -0.14 -1.26 0.42 119.74 135.64 1x63 s LYS 17 Ca 0.68 1.85 -0.12 0.00 -1.36 0.00 0.00 55.97 57.02 1x63 s LYS 17 Cb -0.13 -3.18 0.04 0.00 -1.68 0.00 0.00 37.83 32.88 1x63 s LYS 17 CO 0.21 0.17 1.11 0.00 -0.76 0.00 0.00 175.35 176.08 1x63 n LYS 19 N -3.16 0.31 0.39 0.00 3.00 -1.24 -3.54 118.16 113.92 1x63 n LYS 19 Ca 0.07 0.08 -0.18 0.00 -0.00 0.00 0.00 58.31 58.28 1x63 n LYS 19 Cb 0.58 -1.23 -0.09 0.00 0.00 0.00 0.00 35.03 34.29 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 0.83 -1.03 0.39 3.14 0.00 -1.93 -3.29 103.07 101.17 1x63 h GLY 20 Ca -0.29 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1x63 h GLY 20 CO -0.06 -0.37 -1.45 0.00 0.00 0.00 0.00 176.54 174.65 1x63 n PHE 22 N -2.24 -1.06 -4.82 0.00 3.72 -1.23 -4.63 117.46 107.21 1x63 n PHE 22 Ca -0.01 0.28 -0.33 0.00 -0.05 0.00 0.00 57.45 57.34 1x63 n PHE 22 Cb 0.52 -2.90 -0.14 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 -5.15 3.00 -0.03 -1.08 1.02 -1.26 -4.74 119.74 111.51 1x63 s LYS 23 Ca 0.16 -0.69 -0.38 0.00 0.02 0.00 0.00 55.97 55.09 1x63 s LYS 23 Cb -0.07 -2.53 -0.16 0.00 -0.52 0.00 0.00 37.83 34.55 1x63 s LYS 23 CO 0.20 0.40 1.46 0.00 -0.92 0.00 0.00 175.35 176.49 1x63 n ALA 24 N 2.98 -0.79 -2.95 5.17 0.00 -1.26 -1.82 120.51 121.84 1x63 n ALA 24 Ca -0.18 0.48 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 1x63 n ALA 24 Cb 0.52 -2.12 -0.03 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 1.41 5.25 0.50 0.00 1.01 0.17 -4.84 121.20 124.70 1x63 s ILE 25 Ca 0.89 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.73 1x63 s ILE 25 Cb -1.00 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 37.69 1x63 s ILE 25 CO 0.53 -0.19 0.04 0.68 0.00 0.00 0.00 174.94 176.00 1x63 s VAL 26 N -1.85 1.35 -0.10 2.92 -7.23 -1.26 -3.62 120.40 110.60 1x63 s VAL 26 Ca 0.34 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1x63 s VAL 26 Cb -0.10 -2.30 -0.00 0.00 0.56 0.00 0.00 36.38 34.54 1x63 s VAL 26 CO 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 175.10 175.05 1x63 h ALA 27 N 1.36 0.00 -1.11 1.32 0.00 -2.00 -3.35 119.26 115.49 1x63 h ALA 27 Ca -0.43 -0.08 0.39 0.00 0.00 0.00 0.00 54.91 54.78 1x63 h ALA 27 Cb 1.30 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 19.02 1x63 h ALA 27 CO 0.74 0.08 0.65 0.78 0.00 0.00 0.00 179.25 181.50 1x63 h GLY 28 N -0.97 1.87 -3.24 0.00 0.00 -2.05 -3.40 103.07 95.29 1x63 h GLY 28 Ca 0.00 -0.17 -0.50 0.00 0.00 0.00 0.00 47.33 46.66 1x63 h GLY 28 CO 0.00 -0.55 0.49 -0.35 0.00 0.00 0.00 176.54 176.13 1x63 s ASP 29 N -4.66 6.72 -0.25 0.19 2.15 -1.26 -4.97 116.67 114.60 1x63 s ASP 29 Ca -0.09 2.30 -0.29 0.00 0.43 0.00 0.00 52.55 54.90 1x63 s ASP 29 Cb 0.31 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 40.31 1x63 s ASP 29 CO 0.80 -0.53 1.31 -1.10 -0.17 0.00 0.00 175.17 175.48 1x63 s GLN 30 N -2.14 4.02 0.30 4.34 1.11 -1.26 -4.84 119.66 121.19 1x63 s GLN 30 Ca 0.54 1.42 0.05 0.00 0.01 0.00 0.00 55.36 57.38 1x63 s GLN 30 Cb -0.30 -3.85 -0.03 0.00 -1.01 0.00 0.00 33.01 27.82 1x63 s GLN 30 CO 0.38 -0.99 0.23 -0.80 0.01 0.00 0.00 175.29 174.12 1x63 s ASN 31 N 2.62 1.41 -0.31 5.90 0.01 -1.26 -0.12 114.94 123.19 1x63 s ASN 31 Ca 0.57 -1.66 0.01 0.00 -0.71 0.00 0.00 52.86 51.07 1x63 s ASN 31 Cb -0.19 0.50 0.09 0.00 0.41 0.00 0.00 41.25 42.07 1x63 s ASN 31 CO 0.21 -1.00 0.06 -0.69 -1.51 0.00 0.00 177.10 174.17 1x63 s VAL 32 N -3.60 1.44 0.20 1.60 1.01 0.35 -4.61 120.40 116.80 1x63 s VAL 32 Ca 0.39 -1.70 -0.12 0.00 0.00 0.00 0.00 61.98 60.55 1x63 s VAL 32 Cb 0.04 -2.03 -0.07 0.00 0.00 0.00 0.00 36.38 34.31 1x63 s VAL 32 CO 0.23 -0.57 0.57 -0.70 0.00 0.00 0.00 175.10 174.63 1x63 s GLU 33 N 1.34 3.90 -0.27 2.72 2.12 -1.26 -0.98 118.70 126.27 1x63 s GLU 33 Ca 0.08 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.83 1x63 s GLU 33 Cb -0.18 -2.76 0.16 0.00 0.26 0.00 0.00 34.13 31.61 1x63 s GLU 33 CO -0.17 0.37 0.45 -0.47 -0.54 0.00 0.00 175.26 174.91 1x63 s TYR 34 N -1.67 -1.15 -1.57 5.30 6.14 0.98 -4.92 117.35 120.45 1x63 s TYR 34 Ca 0.44 0.86 -0.14 0.00 0.64 0.00 0.00 57.07 58.87 1x63 s TYR 34 Cb -0.13 0.10 0.10 0.00 0.42 0.00 0.00 41.96 42.45 1x63 s TYR 34 CO 0.20 -0.88 0.87 1.63 0.64 0.00 0.00 175.55 178.01 1x63 n LYS 35 N 5.38 -4.58 0.00 4.97 5.02 -1.26 -2.69 118.16 125.00 1x63 n LYS 35 Ca -0.01 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1x63 n LYS 35 Cb 0.50 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 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 -1.61 2.13 3.39 0.72 0.00 -1.26 -5.06 105.19 103.50 1x63 n GLY 36 Ca 0.01 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 0.02 -3.67 2.61 -2.24 -1.09 -4.96 114.28 104.95 1x63 n THR 37 Ca 0.00 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 1x63 n THR 37 Cb 0.00 -0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 67.56 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 -2.37 -0.01 -0.15 2.28 0.11 -1.26 -0.02 120.40 118.98 1x63 s VAL 38 Ca 0.56 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.66 1x63 s VAL 38 Cb -0.21 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1x63 s VAL 38 CO 0.68 0.02 -0.14 0.26 -3.33 0.00 0.00 175.10 172.59 1x63 s TRP 39 N 1.51 2.80 0.22 1.54 0.51 -0.15 -3.73 118.94 121.64 1x63 s TRP 39 Ca -0.10 -0.91 -0.31 0.00 -2.12 0.00 0.00 56.10 52.67 1x63 s TRP 39 Cb -0.07 -1.89 -0.15 0.00 -0.81 0.00 0.00 33.47 30.55 1x63 s TRP 39 CO -0.16 -0.40 1.06 0.72 -0.51 0.00 0.00 176.95 177.66 1x63 n HIS 40 N 3.94 1.15 -0.34 -1.98 8.25 -1.26 -0.49 115.22 124.48 1x63 n HIS 40 Ca -0.19 0.71 0.34 0.00 -0.26 0.00 0.00 57.72 58.32 1x63 n HIS 40 Cb 0.52 -2.24 0.52 0.00 1.12 0.00 0.00 29.99 29.90 1x63 n HIS 40 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1x63 n LYS 41 N 1.31 0.01 -0.08 -0.41 4.81 0.83 0.25 118.16 124.88 1x63 n LYS 41 Ca 0.13 0.98 -0.13 0.00 -0.87 0.00 0.00 58.31 58.43 1x63 n LYS 41 Cb 0.27 -2.39 -0.14 0.00 0.02 0.00 0.00 35.03 32.79 1x63 n LYS 41 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1x63 n ASP 42 N -3.33 0.88 -0.03 3.14 8.00 -1.26 -3.04 116.55 120.91 1x63 n ASP 42 Ca 0.28 0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.74 1x63 n ASP 42 Cb 1.59 0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 42.84 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 -4.79 1.73 -4.42 0.00 7.35 0.43 -4.88 117.46 112.88 1x63 n PHE 44 Ca -0.06 0.09 -0.21 0.00 -0.76 0.00 0.00 57.45 56.51 1x63 n PHE 44 Cb 0.23 -2.62 -0.10 0.00 0.35 0.00 0.00 39.48 37.33 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 8.07 1.60 0.77 -2.13 -4.23 -1.26 -0.67 115.64 117.80 1x63 s THR 45 Ca 1.06 -2.12 -0.12 0.00 -1.18 0.00 0.00 61.69 59.33 1x63 s THR 45 Cb -0.60 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 70.86 1x63 s THR 45 CO 0.42 -0.30 1.11 0.00 -0.54 0.00 0.00 174.62 175.31 1x63 n SER 47 N -3.28 0.25 -0.03 0.00 2.88 -1.16 -3.39 113.62 108.88 1x63 n SER 47 Ca 0.07 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.59 1x63 n SER 47 Cb 0.58 1.69 -0.01 0.00 -0.75 0.00 0.00 64.21 65.72 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 -2.35 0.72 0.15 -3.46 5.15 -1.26 -4.60 115.26 109.61 1x63 n ASN 48 Ca -0.11 0.33 0.09 0.00 -0.60 0.00 0.00 54.58 54.28 1x63 n ASN 48 Cb 0.70 -0.63 0.07 0.00 -0.53 0.00 0.00 39.78 39.38 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 -2.98 -6.05 -4.24 0.00 4.01 -1.22 -4.95 118.16 102.72 1x63 n LYS 50 Ca 0.01 0.78 -0.34 0.00 -0.51 0.00 0.00 58.31 58.25 1x63 n LYS 50 Cb 0.61 -5.59 -0.15 0.00 -0.51 0.00 0.00 35.03 29.39 1x63 n LYS 50 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 1x63 s GLN 51 N -5.24 3.26 -0.69 1.97 1.03 -1.26 -4.63 119.66 114.09 1x63 s GLN 51 Ca 0.00 -0.71 -0.36 0.00 0.04 0.00 0.00 55.36 54.34 1x63 s GLN 51 Cb -0.00 -2.76 -0.19 0.00 0.03 0.00 0.00 33.01 30.08 1x63 s GLN 51 CO 0.67 -0.08 2.26 0.28 -2.54 0.00 0.00 175.29 175.88 1x63 n VAL 52 N 4.37 0.00 0.03 3.63 0.31 -1.26 -3.06 118.33 122.35 1x63 n VAL 52 Ca -0.19 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.93 1x63 n VAL 52 Cb 0.51 -0.47 -0.14 0.00 -0.91 0.00 0.00 33.84 32.83 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 7.03 1.25 -0.46 2.52 2.04 -1.15 -3.48 117.51 125.26 1x63 h ILE 53 Ca -0.07 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.32 1x63 h ILE 53 Cb 1.29 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.30 1x63 h ILE 53 CO 1.16 0.71 0.00 0.61 0.00 0.00 0.00 178.15 180.63 1x63 n GLY 54 N 1.70 0.83 0.24 5.37 0.00 -1.09 -2.19 105.19 110.05 1x63 n GLY 54 Ca -0.20 -0.78 0.20 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.31 -0.92 2.61 -2.24 -1.26 -4.56 114.28 107.60 1x63 n THR 55 Ca 0.00 1.53 -0.29 0.00 -2.27 0.00 0.00 64.05 63.01 1x63 n THR 55 Cb 0.00 -2.41 0.01 0.00 -2.10 0.00 0.00 70.33 65.83 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 -1.24 -2.65 3.77 3.38 0.00 -0.93 -4.82 105.19 102.70 1x63 n GLY 56 Ca 0.25 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.76 6.54 0.36 1.61 0.01 -1.26 -5.00 113.70 115.19 1x63 s SER 57 Ca 0.41 2.52 0.05 0.00 1.31 0.00 0.00 55.95 60.24 1x63 s SER 57 Cb -0.34 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.24 1x63 s SER 57 CO 0.53 -0.68 0.17 2.22 0.41 0.00 0.00 173.24 175.89 1x63 n PHE 58 N 0.31 -0.13 -3.61 2.43 1.16 -1.26 -2.89 117.46 113.46 1x63 n PHE 58 Ca 0.03 -2.48 -0.20 0.00 -1.87 0.00 0.00 57.45 52.93 1x63 n PHE 58 Cb 0.44 0.08 -0.16 0.00 -1.61 0.00 0.00 39.48 38.23 1x63 n PHE 58 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1x63 s PHE 59 N -3.06 -0.09 0.09 2.97 0.40 0.12 -4.78 117.98 113.63 1x63 s PHE 59 Ca 0.24 0.27 -0.31 0.00 -0.60 0.00 0.00 56.93 56.53 1x63 s PHE 59 Cb 0.01 -0.41 -0.07 0.00 0.51 0.00 0.00 43.02 43.06 1x63 s PHE 59 CO 0.17 -0.40 1.37 -1.25 0.70 0.00 0.00 175.22 175.82 1x63 s PRO 60 N 2.25 4.33 -0.51 0.24 0.04 -1.26 0.28 135.00 140.37 1x63 s PRO 60 Ca 0.04 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.15 1x63 s PRO 60 Cb -0.14 -3.31 0.16 0.00 0.04 0.00 0.00 34.50 31.26 1x63 s PRO 60 CO -0.08 -0.44 0.36 0.15 0.04 0.00 0.00 177.00 177.04 1x63 s LYS 61 N 1.29 1.48 -0.15 4.56 -0.14 0.64 -4.92 119.74 122.51 1x63 s LYS 61 Ca 0.64 -2.46 -0.14 0.00 -1.36 0.00 0.00 55.97 52.65 1x63 s LYS 61 Cb -0.35 -2.26 0.02 0.00 -1.68 0.00 0.00 37.83 33.56 1x63 s LYS 61 CO 0.30 -1.30 0.23 0.41 -0.76 0.00 0.00 175.35 174.22 1x63 n GLY 62 N 2.75 0.07 3.05 -3.33 0.00 -1.26 -2.47 105.19 104.00 1x63 n GLY 62 Ca 0.21 0.40 -0.22 0.00 0.00 0.00 0.00 46.02 46.42 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 0.79 -5.24 -3.66 1.61 4.07 -1.26 -4.98 120.64 111.96 1x63 n GLU 63 Ca -0.03 0.85 -0.10 0.00 -0.06 0.00 0.00 57.16 57.82 1x63 n GLU 63 Cb 0.56 -5.65 -0.05 0.00 -0.06 0.00 0.00 31.44 26.25 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 -2.84 -0.19 -0.36 4.31 1.01 -1.03 -5.13 116.67 112.44 1x63 s ASP 64 Ca 0.34 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.26 1x63 s ASP 64 Cb -0.15 0.45 0.12 0.00 1.01 0.00 0.00 42.92 44.35 1x63 s ASP 64 CO 0.42 -0.83 0.16 -0.36 0.21 0.00 0.00 175.17 174.78 1x63 s PHE 65 N -3.74 1.62 -0.26 4.23 0.08 -1.26 -0.26 117.98 118.39 1x63 s PHE 65 Ca 0.03 -1.94 -0.21 0.00 0.12 0.00 0.00 56.93 54.93 1x63 s PHE 65 Cb 0.02 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.81 1x63 s PHE 65 CO -0.11 -0.84 0.66 0.71 -0.10 0.00 0.00 175.22 175.54 1x63 s TYR 66 N 1.11 3.27 0.66 0.36 1.51 0.14 -3.01 117.35 121.40 1x63 s TYR 66 Ca 0.14 0.83 -0.18 0.00 -1.01 0.00 0.00 57.07 56.85 1x63 s TYR 66 Cb -0.21 -2.90 -0.01 0.00 -0.11 0.00 0.00 41.96 38.73 1x63 s TYR 66 CO -0.13 -0.36 1.26 0.00 -1.11 0.00 0.00 175.55 175.21 1x63 n VAL 68 N -2.02 0.00 -0.06 0.00 0.31 -1.14 -1.47 118.33 113.95 1x63 n VAL 68 Ca 0.16 1.03 -0.02 0.00 -0.01 0.00 0.00 64.34 65.50 1x63 n VAL 68 Cb 0.48 -1.39 -0.01 0.00 -0.91 0.00 0.00 33.84 32.01 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 -2.47 -0.09 -0.33 2.52 -1.04 -1.26 0.45 114.28 112.05 1x63 n THR 69 Ca 0.00 1.37 0.11 0.00 -2.04 0.00 0.00 64.05 63.49 1x63 n THR 69 Cb 0.00 -1.80 0.22 0.00 -1.82 0.00 0.00 70.33 66.94 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 0.60 -0.50 0.00 2.76 0.11 0.42 115.15 118.53 1x63 h HIS 71 Ca 0.53 -0.16 -0.10 0.00 -2.20 0.00 0.00 60.37 58.44 1x63 h HIS 71 Cb 1.00 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.81 1x63 h HIS 71 CO -0.57 0.80 -0.08 0.93 -1.30 0.00 0.00 177.93 177.72 1x63 h GLU 72 N 0.43 0.94 0.18 5.26 4.39 0.74 0.23 114.58 126.75 1x63 h GLU 72 Ca 0.05 -0.34 -0.31 0.00 0.34 0.00 0.00 59.36 59.09 1x63 h GLU 72 Cb 0.83 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1x63 h GLU 72 CO 0.07 1.00 -1.45 0.00 -1.16 0.00 0.00 179.01 177.47 1x63 h THR 73 N 0.80 1.29 0.27 1.13 1.03 -0.31 -2.64 112.91 114.48 1x63 h THR 73 Ca 0.13 -2.82 -0.01 0.00 -0.01 0.00 0.00 66.41 63.70 1x63 h THR 73 Cb 0.62 2.92 0.00 0.00 -1.07 0.00 0.00 68.15 70.63 1x63 h THR 73 CO 0.04 0.85 -0.13 0.50 -0.01 0.00 0.00 175.52 176.77 1x63 h LYS 74 N 0.10 -0.35 0.00 0.00 3.64 -0.15 -3.43 116.57 116.39 1x63 h LYS 74 Ca -0.22 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1x63 h LYS 74 Cb 2.07 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.97 1x63 h LYS 74 CO 0.22 -0.23 0.00 1.19 -2.27 0.00 0.00 179.45 178.36 1x63 n PHE 75 N -4.06 0.00 -0.47 1.91 3.01 0.70 -4.95 117.46 113.60 1x63 n PHE 75 Ca -0.05 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.11 1x63 n PHE 75 Cb 0.14 -0.42 0.28 0.00 -0.01 0.00 0.00 39.48 39.48 1x63 n PHE 75 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x63 s ALA 76 N -3.02 -0.55 -0.53 4.37 0.00 -0.54 -4.99 121.76 116.50 1x63 s ALA 76 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1x63 s ALA 76 Cb 0.00 -2.91 0.13 0.00 0.00 0.00 0.00 23.12 20.34 1x63 s ALA 76 CO 0.00 -4.50 0.28 -1.54 0.00 0.00 0.00 175.76 170.00 1x63 s SER 77 N -3.31 4.31 0.08 0.00 1.04 -1.05 -4.12 113.70 110.66 1x63 s SER 77 Ca 0.69 -3.08 0.03 0.00 0.48 0.00 0.00 55.95 54.08 1x63 s SER 77 Cb -0.12 -1.60 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 1x63 s SER 77 CO 0.57 -0.22 0.05 -0.83 0.98 0.00 0.00 173.24 173.79 1x63 s GLY 78 N -0.37 1.98 -0.99 7.32 0.00 -1.20 -5.03 107.32 109.03 1x63 s GLY 78 Ca 0.18 -1.04 -0.24 0.00 0.00 0.00 0.00 44.72 43.62 1x63 s GLY 78 CO -0.02 -1.01 1.94 2.56 0.00 0.00 0.00 173.10 176.58 1x63 s PRO 79 N -2.30 2.53 -0.10 2.90 0.04 -1.26 -4.88 135.00 131.93 1x63 s PRO 79 Ca 0.27 -0.57 -0.09 0.00 0.04 0.00 0.00 61.00 60.66 1x63 s PRO 79 Cb -0.12 -5.12 -0.04 0.00 0.04 0.00 0.00 34.50 29.26 1x63 s PRO 79 CO 0.20 -3.57 0.20 -1.54 0.04 0.00 0.00 177.00 172.33 1x63 s SER 80 N 7.55 6.48 -0.86 6.66 1.04 -1.26 -5.04 113.70 128.26 1x63 s SER 80 Ca 0.70 0.57 -0.18 0.00 0.48 0.00 0.00 55.95 57.52 1x63 s SER 80 Cb -0.05 -2.11 0.14 0.00 0.10 0.00 0.00 66.02 64.10 1x63 s SER 80 CO 0.04 0.38 1.00 -0.44 0.98 0.00 0.00 173.24 175.19 1x63 s SER 81 N -0.96 6.59 0.00 7.02 0.01 -1.26 -5.24 113.70 119.86 1x63 s SER 81 Ca 0.17 -2.07 0.00 0.00 1.31 0.00 0.00 55.95 55.36 1x63 s SER 81 Cb -0.13 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1x63 s SER 81 CO 0.06 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.33