#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 -0.46 -0.15 1.61 0.01 -1.26 -5.16 113.70 108.29 1x63 s SER 2 Ca 0.00 0.83 -0.13 0.00 1.31 0.00 0.00 55.95 57.96 1x63 s SER 2 Cb 0.00 0.75 0.04 0.00 0.21 0.00 0.00 66.02 67.02 1x63 s SER 2 CO 0.00 -0.17 0.40 -0.55 0.41 0.00 0.00 173.24 173.32 1x63 s SER 3 N 1.03 -0.43 0.00 2.44 0.15 -1.26 -5.14 113.70 110.49 1x63 s SER 3 Ca -0.07 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1x63 s SER 3 Cb -0.07 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1x63 s SER 3 CO -0.08 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1x63 n GLY 4 N 3.20 4.07 1.92 9.45 0.00 -1.26 -5.00 105.19 117.57 1x63 n GLY 4 Ca -0.16 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 1x63 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x63 n SER 5 N 0.00 6.27 -0.32 1.61 7.64 -1.26 -4.62 113.62 122.94 1x63 n SER 5 Ca 0.00 -2.97 0.18 0.00 1.01 0.00 0.00 58.87 57.09 1x63 n SER 5 Cb 0.00 -1.10 0.38 0.00 -1.01 0.00 0.00 64.21 62.47 1x63 n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1x63 h SER 6 N 1.66 0.18 -4.45 6.43 4.64 -2.01 -3.46 113.55 116.55 1x63 h SER 6 Ca 0.26 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1x63 h SER 6 Cb 0.92 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1x63 h SER 6 CO 0.65 -0.18 -0.22 0.61 -0.87 0.00 0.00 176.83 176.83 1x63 n GLY 7 N -1.35 -1.02 0.31 -0.77 0.00 -1.26 -4.87 105.19 96.22 1x63 n GLY 7 Ca 0.26 0.59 -0.03 0.00 0.00 0.00 0.00 46.02 46.85 1x63 n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x63 n LYS 8 N -0.72 -0.22 -3.67 1.61 5.02 -1.26 -2.93 118.16 115.99 1x63 n LYS 8 Ca 0.05 1.19 -0.38 0.00 -2.02 0.00 0.00 58.31 57.15 1x63 n LYS 8 Cb 0.35 -1.77 -0.09 0.00 -0.02 0.00 0.00 35.03 33.51 1x63 n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x63 n THR 10 N 4.03 0.00 -3.58 0.00 5.66 -1.15 -5.10 114.28 114.14 1x63 n THR 10 Ca 0.03 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.98 1x63 n THR 10 Cb 0.40 0.34 -0.02 0.00 -1.55 0.00 0.00 70.33 69.50 1x63 n THR 10 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1x63 s THR 11 N -1.60 0.00 -0.09 1.09 -1.32 -1.26 -5.05 115.64 107.41 1x63 s THR 11 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1x63 s THR 11 Cb 0.00 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.87 1x63 s THR 11 CO 0.00 0.00 0.22 -2.11 -2.21 0.00 0.00 174.62 170.52 1x63 n ARG 12 N 0.01 1.13 -2.45 7.08 0.00 -1.26 -5.02 116.66 116.15 1x63 n ARG 12 Ca -0.02 -0.06 -0.32 0.00 -0.00 0.00 0.00 57.85 57.44 1x63 n ARG 12 Cb 0.59 -1.13 -0.04 0.00 -0.00 0.00 0.00 32.46 31.88 1x63 n ARG 12 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1x63 s GLU 13 N -2.41 3.95 0.35 2.89 2.02 -1.26 -5.07 118.70 119.16 1x63 s GLU 13 Ca -0.02 0.92 0.02 0.00 0.02 0.00 0.00 54.97 55.91 1x63 s GLU 13 Cb 0.06 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 1x63 s GLU 13 CO 0.35 -0.24 0.54 0.16 0.02 0.00 0.00 175.26 176.09 1x63 s ASP 14 N -3.04 6.17 -0.02 -0.19 -4.77 -1.26 -5.12 116.67 108.44 1x63 s ASP 14 Ca 0.58 0.31 0.02 0.00 -3.30 0.00 0.00 52.55 50.16 1x63 s ASP 14 Cb -0.10 -1.83 0.01 0.00 -1.09 0.00 0.00 42.92 39.91 1x63 s ASP 14 CO 0.31 -0.36 -0.06 -0.44 0.70 0.00 0.00 175.17 175.32 1x63 s SER 15 N -4.08 0.84 -0.62 2.11 0.01 -1.26 -5.09 113.70 105.60 1x63 s SER 15 Ca 0.41 -0.12 -0.26 0.00 1.31 0.00 0.00 55.95 57.29 1x63 s SER 15 Cb -0.10 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 65.86 1x63 s SER 15 CO 0.35 0.02 1.87 -2.16 0.41 0.00 0.00 173.24 173.73 1x63 s PRO 16 N 0.33 2.62 0.11 12.44 0.04 -1.22 -4.81 135.00 144.51 1x63 s PRO 16 Ca -0.04 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.27 1x63 s PRO 16 Cb -0.08 -4.42 -0.07 0.00 0.04 0.00 0.00 34.50 29.98 1x63 s PRO 16 CO -0.00 -2.76 1.20 0.15 0.04 0.00 0.00 177.00 175.63 1x63 s LYS 17 N 7.05 4.46 0.87 4.56 -0.14 -1.26 0.32 119.74 135.60 1x63 s LYS 17 Ca 0.67 1.81 -0.11 0.00 -1.36 0.00 0.00 55.97 56.98 1x63 s LYS 17 Cb -0.12 -3.31 0.12 0.00 -1.68 0.00 0.00 37.83 32.83 1x63 s LYS 17 CO 0.20 -0.19 1.09 0.00 -0.76 0.00 0.00 175.35 175.69 1x63 n LYS 19 N -3.84 2.90 -0.05 0.00 3.00 -1.22 -3.48 118.16 115.48 1x63 n LYS 19 Ca 0.08 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.24 1x63 n LYS 19 Cb 0.55 -1.17 -0.08 0.00 0.00 0.00 0.00 35.03 34.33 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 1.29 0.38 0.00 3.14 0.00 -1.93 -3.35 103.07 102.60 1x63 h GLY 20 Ca -0.18 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1x63 h GLY 20 CO 0.01 0.40 -1.11 0.00 0.00 0.00 0.00 176.54 175.84 1x63 n PHE 22 N -1.63 -0.38 -4.41 0.00 3.72 -1.23 -5.02 117.46 108.50 1x63 n PHE 22 Ca -0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.05 1x63 n PHE 22 Cb 0.25 -2.24 -0.11 0.00 -0.94 0.00 0.00 39.48 36.45 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 -4.28 3.22 0.05 -1.08 1.02 -1.26 -4.73 119.74 112.69 1x63 s LYS 23 Ca 0.00 -0.47 -0.36 0.00 0.02 0.00 0.00 55.97 55.16 1x63 s LYS 23 Cb 0.00 -2.82 -0.15 0.00 -0.52 0.00 0.00 37.83 34.34 1x63 s LYS 23 CO 0.00 0.52 1.52 0.00 -0.92 0.00 0.00 175.35 176.47 1x63 n ALA 24 N 2.69 0.11 -2.86 5.17 0.00 -1.26 -1.27 120.51 123.09 1x63 n ALA 24 Ca -0.18 0.45 -0.32 0.00 0.00 0.00 0.00 53.44 53.40 1x63 n ALA 24 Cb 0.53 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 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 1.34 5.10 0.54 0.00 1.01 0.15 -4.82 121.20 124.51 1x63 s ILE 25 Ca 0.85 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 61.16 1x63 s ILE 25 Cb -0.85 -3.42 0.04 0.00 0.01 0.00 0.00 42.46 38.24 1x63 s ILE 25 CO 0.46 0.24 0.42 0.68 0.00 0.00 0.00 174.94 176.75 1x63 s VAL 26 N -1.36 1.76 -0.07 2.92 -7.23 -1.26 -3.40 120.40 111.76 1x63 s VAL 26 Ca 0.29 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1x63 s VAL 26 Cb -0.13 -2.22 -0.00 0.00 0.56 0.00 0.00 36.38 34.59 1x63 s VAL 26 CO 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 175.10 174.98 1x63 h ALA 27 N 0.74 0.00 -1.14 1.32 0.00 -2.00 -3.35 119.26 114.84 1x63 h ALA 27 Ca -0.37 -0.07 0.44 0.00 0.00 0.00 0.00 54.91 54.91 1x63 h ALA 27 Cb 1.30 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.98 1x63 h ALA 27 CO 0.56 0.06 0.67 0.41 0.00 0.00 0.00 179.25 180.95 1x63 n GLY 28 N 1.83 -0.78 3.75 0.00 0.00 -1.26 -4.34 105.19 104.39 1x63 n GLY 28 Ca -0.01 0.78 -0.41 0.00 0.00 0.00 0.00 46.02 46.38 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 -4.42 7.01 -0.22 1.61 2.15 -1.26 -4.95 116.67 116.59 1x63 s ASP 29 Ca -0.08 2.42 -0.29 0.00 0.43 0.00 0.00 52.55 55.03 1x63 s ASP 29 Cb 0.32 -2.63 -0.02 0.00 -0.30 0.00 0.00 42.92 40.29 1x63 s ASP 29 CO 0.78 -0.38 1.54 -1.10 -0.17 0.00 0.00 175.17 175.85 1x63 s GLN 30 N -1.09 3.87 0.27 4.34 -0.21 -1.26 -4.84 119.66 120.74 1x63 s GLN 30 Ca 0.50 1.63 0.03 0.00 0.02 0.00 0.00 55.36 57.54 1x63 s GLN 30 Cb -0.35 -3.99 -0.04 0.00 1.00 0.00 0.00 33.01 29.63 1x63 s GLN 30 CO 0.43 -1.19 0.19 -0.80 -2.12 0.00 0.00 175.29 171.81 1x63 s ASN 31 N 3.77 0.95 -0.31 5.90 0.01 -1.26 -1.03 114.94 122.97 1x63 s ASN 31 Ca 0.68 -1.56 0.02 0.00 -0.71 0.00 0.00 52.86 51.29 1x63 s ASN 31 Cb -0.24 0.45 0.09 0.00 0.41 0.00 0.00 41.25 41.96 1x63 s ASN 31 CO 0.27 -0.94 0.03 -0.69 -1.51 0.00 0.00 177.10 174.27 1x63 s VAL 32 N -3.80 1.77 -0.05 1.60 1.01 -0.48 -4.78 120.40 115.66 1x63 s VAL 32 Ca 0.39 -1.84 -0.14 0.00 0.00 0.00 0.00 61.98 60.39 1x63 s VAL 32 Cb 0.05 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1x63 s VAL 32 CO 0.19 -0.49 0.35 -0.70 0.00 0.00 0.00 175.10 174.46 1x63 s GLU 33 N 1.19 3.94 -0.36 2.72 2.12 -1.26 -0.88 118.70 126.16 1x63 s GLU 33 Ca 0.06 0.28 -0.00 0.00 0.36 0.00 0.00 54.97 55.67 1x63 s GLU 33 Cb -0.19 -3.27 0.12 0.00 0.26 0.00 0.00 34.13 31.06 1x63 s GLU 33 CO -0.12 0.58 0.18 -0.47 -0.54 0.00 0.00 175.26 174.89 1x63 s TYR 34 N -0.67 1.34 -1.27 5.30 6.14 0.14 -4.85 117.35 123.49 1x63 s TYR 34 Ca 0.21 -1.82 -0.04 0.00 0.64 0.00 0.00 57.07 56.06 1x63 s TYR 34 Cb -0.15 -1.44 0.03 0.00 0.42 0.00 0.00 41.96 40.81 1x63 s TYR 34 CO 0.10 -0.83 0.30 1.63 0.64 0.00 0.00 175.55 177.39 1x63 n LYS 35 N 4.26 -3.14 0.00 4.97 5.02 -1.26 -2.80 118.16 125.22 1x63 n LYS 35 Ca 0.05 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1x63 n LYS 35 Cb 0.38 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 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 -1.09 2.38 3.67 0.72 0.00 -1.26 -5.07 105.19 104.54 1x63 n GLY 36 Ca -0.09 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 0.61 -4.94 2.61 -2.24 -1.12 -4.93 114.28 104.28 1x63 n THR 37 Ca 0.00 -0.11 -0.31 0.00 -2.27 0.00 0.00 64.05 61.36 1x63 n THR 37 Cb 0.00 -2.25 -0.15 0.00 -2.10 0.00 0.00 70.33 65.84 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 3.78 2.28 -0.11 2.28 0.11 -1.26 0.26 120.40 127.74 1x63 s VAL 38 Ca 0.86 -1.27 -0.00 0.00 -2.93 0.00 0.00 61.98 58.64 1x63 s VAL 38 Cb -0.45 -1.88 0.02 0.00 -1.53 0.00 0.00 36.38 32.54 1x63 s VAL 38 CO 0.40 0.41 -0.09 0.26 -3.33 0.00 0.00 175.10 172.76 1x63 s TRP 39 N -0.79 1.56 0.23 1.54 0.51 -0.06 -3.39 118.94 118.54 1x63 s TRP 39 Ca 0.12 -0.79 -0.28 0.00 -2.12 0.00 0.00 56.10 53.03 1x63 s TRP 39 Cb -0.10 -1.27 -0.16 0.00 -0.81 0.00 0.00 33.47 31.13 1x63 s TRP 39 CO 0.02 -0.52 0.70 0.72 -0.51 0.00 0.00 176.95 177.36 1x63 n HIS 40 N 4.86 0.14 0.21 -1.98 8.25 -1.26 -1.39 115.22 124.06 1x63 n HIS 40 Ca -0.14 0.88 0.11 0.00 -0.26 0.00 0.00 57.72 58.31 1x63 n HIS 40 Cb 0.50 -2.06 0.37 0.00 1.12 0.00 0.00 29.99 29.92 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 1.39 0.00 0.00 -0.41 3.64 -1.39 1.20 116.57 121.00 1x63 h LYS 41 Ca -0.32 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.71 1x63 h LYS 41 Cb 1.41 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.16 1x63 h LYS 41 CO 0.58 0.00 -2.31 -0.25 -2.27 0.00 0.00 179.45 175.20 1x63 n ASP 42 N -2.85 0.27 -0.04 4.20 8.00 -1.26 -3.49 116.55 121.38 1x63 n ASP 42 Ca 0.04 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.40 1x63 n ASP 42 Cb 0.89 0.98 -0.09 0.00 -0.02 0.00 0.00 41.12 42.88 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 -4.55 1.88 -4.47 0.00 7.35 0.44 -4.89 117.46 113.22 1x63 n PHE 44 Ca -0.08 0.11 -0.23 0.00 -0.76 0.00 0.00 57.45 56.49 1x63 n PHE 44 Cb 0.41 -2.62 -0.10 0.00 0.35 0.00 0.00 39.48 37.53 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 6.76 0.99 0.71 -2.13 -4.23 -1.26 -0.60 115.64 115.87 1x63 s THR 45 Ca 1.03 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.45 1x63 s THR 45 Cb -0.68 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 70.56 1x63 s THR 45 CO 0.46 0.00 1.06 0.00 -0.54 0.00 0.00 174.62 175.60 1x63 n SER 47 N -2.99 0.71 -0.06 0.00 2.88 0.17 -3.22 113.62 111.12 1x63 n SER 47 Ca 0.07 -0.64 -0.12 0.00 -1.33 0.00 0.00 58.87 56.85 1x63 n SER 47 Cb 0.59 1.33 -0.04 0.00 -0.75 0.00 0.00 64.21 65.34 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 -1.73 1.10 -1.15 -3.46 5.15 -1.26 -4.68 115.26 109.22 1x63 n ASN 48 Ca 0.01 0.18 0.12 0.00 -0.60 0.00 0.00 54.58 54.29 1x63 n ASN 48 Cb 0.39 -0.43 0.20 0.00 -0.53 0.00 0.00 39.78 39.41 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 1.50 -0.89 -3.92 0.00 0.00 -1.20 -4.83 118.16 108.81 1x63 n LYS 50 Ca 0.19 0.08 -0.35 0.00 -0.00 0.00 0.00 58.31 58.23 1x63 n LYS 50 Cb 0.61 -3.05 -0.11 0.00 -0.00 0.00 0.00 35.03 32.49 1x63 n LYS 50 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1x63 s GLN 51 N -6.18 3.86 -0.53 -1.58 -2.07 -1.26 -4.52 119.66 107.38 1x63 s GLN 51 Ca 0.22 -0.39 -0.36 0.00 -1.82 0.00 0.00 55.36 53.00 1x63 s GLN 51 Cb -0.13 -3.27 -0.15 0.00 -1.09 0.00 0.00 33.01 28.37 1x63 s GLN 51 CO 0.78 0.09 2.29 0.28 -1.32 0.00 0.00 175.29 177.41 1x63 n VAL 52 N 4.09 0.07 0.03 3.63 0.31 -1.26 -2.39 118.33 122.80 1x63 n VAL 52 Ca -0.16 -0.17 -0.22 0.00 -0.01 0.00 0.00 64.34 63.78 1x63 n VAL 52 Cb 0.52 -1.16 -0.14 0.00 -0.91 0.00 0.00 33.84 32.15 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 7.29 1.00 0.00 2.52 2.04 -1.12 -3.48 117.51 125.75 1x63 h ILE 53 Ca -0.17 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.26 1x63 h ILE 53 Cb 1.35 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 40.16 1x63 h ILE 53 CO 1.12 0.75 0.00 0.61 0.00 0.00 0.00 178.15 180.64 1x63 n GLY 54 N 1.78 2.39 0.36 5.37 0.00 -1.16 -1.52 105.19 112.42 1x63 n GLY 54 Ca -0.25 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.54 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 1.04 -1.82 2.61 1.35 -1.86 -3.44 112.91 110.79 1x63 h THR 55 Ca 0.00 -0.33 -0.52 0.00 -0.55 0.00 0.00 66.41 65.01 1x63 h THR 55 Cb 0.00 -0.01 0.20 0.00 -1.73 0.00 0.00 68.15 66.61 1x63 h THR 55 CO 0.00 0.18 -1.45 0.61 -0.25 0.00 0.00 175.52 174.60 1x63 n GLY 56 N -1.41 -3.75 3.76 5.82 0.00 -0.57 -4.83 105.19 104.21 1x63 n GLY 56 Ca 0.14 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.91 5.61 0.35 1.61 0.01 -1.26 -4.99 113.70 114.11 1x63 s SER 57 Ca 0.42 2.50 0.05 0.00 1.31 0.00 0.00 55.95 60.23 1x63 s SER 57 Cb -0.27 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.32 1x63 s SER 57 CO 0.70 -1.32 0.36 0.72 0.41 0.00 0.00 173.24 174.11 1x63 s PHE 58 N -1.46 1.57 -0.23 2.43 -0.71 -1.26 -3.37 117.98 114.94 1x63 s PHE 58 Ca 0.70 -1.57 -0.04 0.00 -1.04 0.00 0.00 56.93 54.98 1x63 s PHE 58 Cb -0.34 -0.50 0.09 0.00 -1.21 0.00 0.00 43.02 41.07 1x63 s PHE 58 CO 0.39 -1.00 0.17 -0.06 -1.34 0.00 0.00 175.22 173.39 1x63 s PHE 59 N -3.21 -0.01 -0.11 3.49 0.40 0.13 -4.78 117.98 113.90 1x63 s PHE 59 Ca 0.37 -0.31 -0.29 0.00 -0.60 0.00 0.00 56.93 56.09 1x63 s PHE 59 Cb 0.01 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.88 1x63 s PHE 59 CO 0.26 -0.70 1.54 -1.25 0.70 0.00 0.00 175.22 175.77 1x63 s PRO 60 N 2.22 4.14 0.53 0.24 0.04 -1.26 -1.60 135.00 139.30 1x63 s PRO 60 Ca 0.07 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.11 1x63 s PRO 60 Cb -0.16 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.48 1x63 s PRO 60 CO -0.22 -0.87 0.33 0.15 0.04 0.00 0.00 177.00 176.42 1x63 s LYS 61 N 3.98 2.25 -0.61 4.56 -0.14 0.39 -4.97 119.74 125.20 1x63 s LYS 61 Ca 0.68 -2.06 -0.27 0.00 -1.36 0.00 0.00 55.97 52.96 1x63 s LYS 61 Cb -0.29 -2.01 -0.11 0.00 -1.68 0.00 0.00 37.83 33.75 1x63 s LYS 61 CO 0.25 -0.54 2.47 0.41 -0.76 0.00 0.00 175.35 177.18 1x63 n GLY 62 N -1.65 0.03 3.64 -3.33 0.00 -1.26 -1.74 105.19 100.88 1x63 n GLY 62 Ca -0.04 0.72 -0.24 0.00 0.00 0.00 0.00 46.02 46.45 1x63 n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x63 n GLU 63 N 8.86 -7.23 -3.58 1.61 4.71 -1.26 -4.97 120.64 118.78 1x63 n GLU 63 Ca 0.43 0.78 -0.08 0.00 -0.01 0.00 0.00 57.16 58.28 1x63 n GLU 63 Cb 0.44 -5.78 -0.02 0.00 -1.01 0.00 0.00 31.44 25.07 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 -3.49 -0.38 -0.29 1.62 1.01 -0.71 -5.14 116.67 109.29 1x63 s ASP 64 Ca 0.51 -0.16 -0.01 0.00 0.71 0.00 0.00 52.55 53.59 1x63 s ASP 64 Cb -0.23 0.52 0.09 0.00 1.01 0.00 0.00 42.92 44.31 1x63 s ASP 64 CO 0.75 -0.89 0.09 -0.36 0.21 0.00 0.00 175.17 174.97 1x63 s PHE 65 N -3.47 1.44 0.19 4.23 0.08 -1.26 -0.46 117.98 118.73 1x63 s PHE 65 Ca 0.06 -1.48 -0.04 0.00 0.12 0.00 0.00 56.93 55.58 1x63 s PHE 65 Cb -0.02 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 40.88 1x63 s PHE 65 CO -0.06 -0.83 0.43 0.71 -0.10 0.00 0.00 175.22 175.37 1x63 s TYR 66 N 1.71 3.47 0.29 0.36 1.51 -0.63 -0.65 117.35 123.41 1x63 s TYR 66 Ca 0.07 0.54 -0.03 0.00 -1.01 0.00 0.00 57.07 56.65 1x63 s TYR 66 Cb -0.17 -2.00 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 1x63 s TYR 66 CO -0.23 0.36 0.53 0.00 -1.11 0.00 0.00 175.55 175.09 1x63 n VAL 68 N -1.11 -0.04 -0.05 0.00 0.31 -1.22 -0.47 118.33 115.75 1x63 n VAL 68 Ca -0.03 1.07 -0.02 0.00 -0.01 0.00 0.00 64.34 65.35 1x63 n VAL 68 Cb 0.54 -1.41 -0.02 0.00 -0.91 0.00 0.00 33.84 32.04 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 -0.97 2.52 2.02 -1.95 1.02 112.91 115.56 1x63 h THR 69 Ca 0.01 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.46 1x63 h THR 69 Cb 0.02 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.26 1x63 h THR 69 CO -0.06 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.89 1x63 h HIS 71 N 0.02 0.00 -0.27 0.00 2.76 0.15 0.41 115.15 118.23 1x63 h HIS 71 Ca 0.60 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.63 1x63 h HIS 71 Cb 1.23 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.18 1x63 h HIS 71 CO -0.46 0.50 -0.37 0.93 -1.30 0.00 0.00 177.93 177.22 1x63 h GLU 72 N 0.00 0.61 0.07 5.26 4.39 1.07 -1.07 114.58 124.92 1x63 h GLU 72 Ca -0.00 -0.30 -0.34 0.00 0.34 0.00 0.00 59.36 59.05 1x63 h GLU 72 Cb 0.96 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 1x63 h GLU 72 CO 0.06 0.89 -1.96 -2.37 -1.16 0.00 0.00 179.01 174.48 1x63 n THR 73 N -4.05 1.70 0.33 1.13 5.66 0.05 -3.06 114.28 116.04 1x63 n THR 73 Ca -0.01 -0.70 -0.13 0.00 -3.05 0.00 0.00 64.05 60.15 1x63 n THR 73 Cb 0.50 -1.45 -0.06 0.00 -1.55 0.00 0.00 70.33 67.77 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 0.04 -0.84 0.00 1.09 3.64 -0.23 -3.40 116.57 116.87 1x63 h LYS 74 Ca -0.40 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1x63 h LYS 74 Cb 2.03 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 34.04 1x63 h LYS 74 CO 0.07 -0.56 0.00 1.19 -2.27 0.00 0.00 179.45 177.88 1x63 n PHE 75 N -5.14 0.00 -0.53 1.91 3.01 -0.50 -4.99 117.46 111.23 1x63 n PHE 75 Ca -0.11 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.07 1x63 n PHE 75 Cb 0.34 -0.17 0.21 0.00 -0.01 0.00 0.00 39.48 39.85 1x63 n PHE 75 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x63 n ALA 76 N -2.18 -3.43 -1.76 4.37 0.00 -0.67 -4.87 120.51 111.98 1x63 n ALA 76 Ca 0.00 -1.35 -0.41 0.00 0.00 0.00 0.00 53.44 51.69 1x63 n ALA 76 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1x63 n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x63 n SER 77 N -2.92 3.48 -4.81 0.00 2.88 -1.17 -4.18 113.62 106.90 1x63 n SER 77 Ca 0.04 1.19 -0.36 0.00 -1.33 0.00 0.00 58.87 58.41 1x63 n SER 77 Cb 0.55 -1.59 -0.06 0.00 -0.75 0.00 0.00 64.21 62.35 1x63 n SER 77 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x63 s GLY 78 N -0.26 2.63 1.07 0.46 0.00 -1.26 -4.32 107.32 105.64 1x63 s GLY 78 Ca 0.56 0.27 -0.14 0.00 0.00 0.00 0.00 44.72 45.40 1x63 s GLY 78 CO 0.62 0.63 1.10 2.56 0.00 0.00 0.00 173.10 178.01 1x63 s PRO 79 N -2.13 -0.11 -0.16 2.90 0.04 -1.26 -5.02 135.00 129.26 1x63 s PRO 79 Ca 0.47 0.33 -0.23 0.00 0.04 0.00 0.00 61.00 61.61 1x63 s PRO 79 Cb -0.16 -1.69 -0.20 0.00 0.04 0.00 0.00 34.50 32.49 1x63 s PRO 79 CO 0.21 -3.06 0.45 1.03 0.04 0.00 0.00 177.00 175.68 1x63 h SER 80 N -2.12 0.00 -1.63 6.66 0.87 -2.05 -3.43 113.55 111.86 1x63 h SER 80 Ca -0.52 -0.68 -0.44 0.00 -1.23 0.00 0.00 61.79 58.92 1x63 h SER 80 Cb 1.32 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.25 1x63 h SER 80 CO 0.51 1.12 1.20 -0.55 -0.53 0.00 0.00 176.83 178.58 1x63 s SER 81 N -6.36 5.16 0.00 6.23 0.15 -1.26 -5.33 113.70 112.28 1x63 s SER 81 Ca -0.21 0.14 0.19 0.00 0.70 0.00 0.00 55.95 56.77 1x63 s SER 81 Cb 0.01 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.93 1x63 s SER 81 CO 0.57 -2.53 1.09 0.61 1.20 0.00 0.00 173.24 174.18