#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 2.64 -1.02 1.61 0.01 -1.26 -5.08 113.70 110.60 1x63 s SER 2 Ca 0.00 -0.77 -0.21 0.00 1.31 0.00 0.00 55.95 56.28 1x63 s SER 2 Cb 0.00 -0.31 0.08 0.00 0.21 0.00 0.00 66.02 66.00 1x63 s SER 2 CO 0.00 -0.36 1.38 -0.55 0.41 0.00 0.00 173.24 174.12 1x63 s SER 3 N 2.09 6.58 0.00 2.44 0.15 -1.26 -4.49 113.70 119.21 1x63 s SER 3 Ca 0.03 -1.74 0.00 0.00 0.70 0.00 0.00 55.95 54.94 1x63 s SER 3 Cb -0.16 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1x63 s SER 3 CO -0.14 -1.33 0.00 0.61 1.20 0.00 0.00 173.24 173.57 1x63 n GLY 4 N 6.30 -0.78 2.38 9.45 0.00 -1.26 -5.03 105.19 116.24 1x63 n GLY 4 Ca 0.32 0.35 -0.34 0.00 0.00 0.00 0.00 46.02 46.35 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 7.32 -4.76 1.61 7.64 -1.26 -4.99 113.62 119.18 1x63 n SER 5 Ca 0.00 -3.79 -0.40 0.00 1.01 0.00 0.00 58.87 55.69 1x63 n SER 5 Cb 0.00 -0.91 -0.05 0.00 -1.01 0.00 0.00 64.21 62.24 1x63 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x63 s SER 6 N -1.96 7.22 0.00 6.43 0.01 -1.26 -5.04 113.70 119.10 1x63 s SER 6 Ca 0.61 1.45 0.00 0.00 1.31 0.00 0.00 55.95 59.33 1x63 s SER 6 Cb 0.49 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1x63 s SER 6 CO -0.07 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1x63 n GLY 7 N 2.15 -1.84 3.91 3.44 0.00 -1.26 -4.86 105.19 106.73 1x63 n GLY 7 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -5.46 -0.83 1.61 4.01 -1.26 -4.91 118.16 111.33 1x63 n LYS 8 Ca 0.00 0.59 -0.35 0.00 -0.51 0.00 0.00 58.31 58.04 1x63 n LYS 8 Cb 0.00 -5.46 0.11 0.00 -0.51 0.00 0.00 35.03 29.16 1x63 n LYS 8 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1x63 s THR 10 N -2.13 5.20 0.21 0.00 -1.32 -1.26 -5.01 115.64 111.34 1x63 s THR 10 Ca 0.47 -0.82 -0.17 0.00 -1.21 0.00 0.00 61.69 59.96 1x63 s THR 10 Cb -0.02 -3.86 0.21 0.00 -1.51 0.00 0.00 72.50 67.33 1x63 s THR 10 CO 0.66 -0.40 1.59 0.74 -2.21 0.00 0.00 174.62 175.00 1x63 h THR 11 N 1.03 0.16 -2.39 5.08 2.02 -2.05 -3.44 112.91 113.31 1x63 h THR 11 Ca -0.51 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.77 1x63 h THR 11 Cb 1.23 0.16 -0.13 0.00 -1.74 0.00 0.00 68.15 67.66 1x63 h THR 11 CO 0.61 0.00 0.45 0.00 0.37 0.00 0.00 175.52 176.95 1x63 s ARG 12 N -6.08 0.96 -0.03 6.66 1.04 -1.26 -5.17 118.95 115.08 1x63 s ARG 12 Ca -0.14 -0.40 -0.00 0.00 -1.04 0.00 0.00 55.73 54.14 1x63 s ARG 12 Cb 0.19 0.41 0.03 0.00 -2.04 0.00 0.00 34.95 33.54 1x63 s ARG 12 CO 0.72 -0.43 0.01 -1.83 -0.04 0.00 0.00 175.30 173.74 1x63 s GLU 13 N -3.24 0.19 -0.43 3.89 -1.05 -1.26 -5.04 118.70 111.77 1x63 s GLU 13 Ca 0.06 0.14 0.04 0.00 -0.15 0.00 0.00 54.97 55.06 1x63 s GLU 13 Cb -0.01 -0.46 0.45 0.00 -0.44 0.00 0.00 34.13 33.67 1x63 s GLU 13 CO -0.07 -0.18 1.44 -0.40 0.95 0.00 0.00 175.26 177.00 1x63 n ASP 14 N 4.35 5.75 -3.63 0.83 5.75 -1.26 -4.98 116.55 123.36 1x63 n ASP 14 Ca -0.23 -3.76 -0.08 0.00 -0.01 0.00 0.00 54.79 50.71 1x63 n ASP 14 Cb 0.50 -0.55 -0.06 0.00 -1.03 0.00 0.00 41.12 39.98 1x63 n ASP 14 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1x63 s SER 15 N -3.02 -0.34 -0.49 -1.12 0.15 -1.26 -5.12 113.70 102.50 1x63 s SER 15 Ca 0.54 0.59 -0.27 0.00 0.70 0.00 0.00 55.95 57.51 1x63 s SER 15 Cb 0.44 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 65.31 1x63 s SER 15 CO -0.02 -0.16 1.79 -2.16 1.20 0.00 0.00 173.24 173.89 1x63 s PRO 16 N -0.14 2.99 0.48 5.44 0.04 -1.23 -4.80 135.00 137.78 1x63 s PRO 16 Ca 0.03 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 61.80 1x63 s PRO 16 Cb -0.04 -4.28 -0.08 0.00 0.04 0.00 0.00 34.50 30.14 1x63 s PRO 16 CO -0.07 -2.29 1.05 0.15 0.04 0.00 0.00 177.00 175.88 1x63 s LYS 17 N 6.31 3.80 0.60 4.56 -0.14 -1.26 0.58 119.74 134.19 1x63 s LYS 17 Ca 0.71 1.40 -0.04 0.00 -1.36 0.00 0.00 55.97 56.67 1x63 s LYS 17 Cb -0.16 -2.13 0.03 0.00 -1.68 0.00 0.00 37.83 33.89 1x63 s LYS 17 CO 0.27 -0.44 0.89 0.00 -0.76 0.00 0.00 175.35 175.30 1x63 n LYS 19 N -2.59 1.33 0.23 0.00 0.00 -1.24 -3.68 118.16 112.21 1x63 n LYS 19 Ca 0.06 0.03 -0.12 0.00 0.00 0.00 0.00 58.31 58.27 1x63 n LYS 19 Cb 0.59 -1.21 -0.07 0.00 0.00 0.00 0.00 35.03 34.34 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 1.19 -0.64 0.42 3.14 0.00 -1.93 -3.34 103.07 101.91 1x63 h GLY 20 Ca -0.23 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1x63 h GLY 20 CO -0.01 -0.23 -1.44 0.00 0.00 0.00 0.00 176.54 174.85 1x63 n PHE 22 N -2.27 -1.10 -4.97 0.00 3.72 -1.24 -5.03 117.46 106.58 1x63 n PHE 22 Ca -0.01 0.30 -0.32 0.00 -0.05 0.00 0.00 57.45 57.37 1x63 n PHE 22 Cb 0.52 -2.90 -0.14 0.00 -0.94 0.00 0.00 39.48 36.01 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 -5.20 2.78 0.05 -1.08 1.02 -1.26 -4.74 119.74 111.31 1x63 s LYS 23 Ca 0.18 -0.76 -0.37 0.00 0.02 0.00 0.00 55.97 55.04 1x63 s LYS 23 Cb -0.08 -2.39 -0.17 0.00 -0.52 0.00 0.00 37.83 34.68 1x63 s LYS 23 CO 0.22 0.43 1.36 0.00 -0.92 0.00 0.00 175.35 176.44 1x63 n ALA 24 N 2.87 -1.06 -2.83 5.17 0.00 -1.26 -2.09 120.51 121.31 1x63 n ALA 24 Ca -0.18 0.51 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 1x63 n ALA 24 Cb 0.52 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.84 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 0.73 4.94 0.48 0.00 1.01 0.20 -4.85 121.20 123.70 1x63 s ILE 25 Ca 0.86 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 61.11 1x63 s ILE 25 Cb -0.98 -3.32 0.04 0.00 0.01 0.00 0.00 42.46 38.21 1x63 s ILE 25 CO 0.49 0.26 0.35 1.33 0.00 0.00 0.00 174.94 177.37 1x63 n VAL 26 N 0.81 0.00 -0.03 2.92 0.24 -1.26 -3.51 118.33 117.50 1x63 n VAL 26 Ca -0.10 -1.89 -0.01 0.00 -2.04 0.00 0.00 64.34 60.30 1x63 n VAL 26 Cb 0.52 -0.09 -0.00 0.00 -1.47 0.00 0.00 33.84 32.80 1x63 n VAL 26 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x63 h ALA 27 N 0.69 0.00 -1.17 2.33 0.00 -2.00 -3.36 119.26 115.75 1x63 h ALA 27 Ca -0.30 -0.15 0.41 0.00 0.00 0.00 0.00 54.91 54.87 1x63 h ALA 27 Cb 1.10 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 1x63 h ALA 27 CO 0.47 0.10 0.74 0.41 0.00 0.00 0.00 179.25 180.97 1x63 n GLY 28 N 1.81 -0.73 3.77 0.00 0.00 -1.26 -4.33 105.19 104.46 1x63 n GLY 28 Ca -0.01 0.68 -0.37 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.34 6.74 -0.26 1.61 -1.08 -1.26 -4.99 116.67 113.09 1x63 s ASP 29 Ca -0.07 2.16 -0.29 0.00 -0.52 0.00 0.00 52.55 53.83 1x63 s ASP 29 Cb 0.28 -2.60 0.01 0.00 -1.46 0.00 0.00 42.92 39.15 1x63 s ASP 29 CO 0.72 -0.51 1.10 -1.10 0.52 0.00 0.00 175.17 175.90 1x63 s GLN 30 N -2.31 4.16 0.31 4.34 1.11 -1.26 -4.86 119.66 121.15 1x63 s GLN 30 Ca 0.56 1.28 0.06 0.00 0.01 0.00 0.00 55.36 57.27 1x63 s GLN 30 Cb -0.26 -3.71 -0.03 0.00 -1.01 0.00 0.00 33.01 28.00 1x63 s GLN 30 CO 0.33 -0.78 0.26 -0.80 0.01 0.00 0.00 175.29 174.30 1x63 s ASN 31 N 1.60 1.47 -0.30 5.90 0.01 -1.26 0.59 114.94 122.93 1x63 s ASN 31 Ca 0.47 -1.71 0.01 0.00 -0.71 0.00 0.00 52.86 50.92 1x63 s ASN 31 Cb -0.15 0.53 0.09 0.00 0.41 0.00 0.00 41.25 42.14 1x63 s ASN 31 CO 0.12 -1.03 0.06 -0.69 -1.51 0.00 0.00 177.10 174.05 1x63 s VAL 32 N -3.54 1.31 -0.24 1.60 1.01 0.04 -4.64 120.40 115.93 1x63 s VAL 32 Ca 0.41 -1.59 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 1x63 s VAL 32 Cb 0.03 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1x63 s VAL 32 CO 0.26 -0.57 0.37 -0.70 0.00 0.00 0.00 175.10 174.45 1x63 s GLU 33 N 1.41 4.07 -0.10 2.72 2.12 -1.26 -1.20 118.70 126.46 1x63 s GLU 33 Ca 0.08 0.07 -0.02 0.00 0.36 0.00 0.00 54.97 55.46 1x63 s GLU 33 Cb -0.18 -3.61 0.04 0.00 0.26 0.00 0.00 34.13 30.64 1x63 s GLU 33 CO -0.18 -0.17 0.01 -0.47 -0.54 0.00 0.00 175.26 173.91 1x63 s TYR 34 N 1.74 0.74 -1.51 5.30 6.14 0.06 -4.83 117.35 125.00 1x63 s TYR 34 Ca 0.16 -0.34 -0.13 0.00 0.64 0.00 0.00 57.07 57.40 1x63 s TYR 34 Cb -0.15 -0.86 0.07 0.00 0.42 0.00 0.00 41.96 41.45 1x63 s TYR 34 CO 0.09 -0.40 0.99 1.63 0.64 0.00 0.00 175.55 178.49 1x63 n LYS 35 N 5.13 -5.73 0.00 4.97 5.02 -1.26 -3.19 118.16 123.10 1x63 n LYS 35 Ca -0.08 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1x63 n LYS 35 Cb 0.49 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 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 -1.72 2.02 3.21 0.72 0.00 -1.26 -5.04 105.19 103.13 1x63 n GLY 36 Ca 0.02 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 0.08 -3.69 2.61 -1.04 -1.19 -4.91 114.28 106.14 1x63 n THR 37 Ca 0.00 -0.36 -0.11 0.00 -2.04 0.00 0.00 64.05 61.54 1x63 n THR 37 Cb 0.00 -0.31 -0.11 0.00 -1.82 0.00 0.00 70.33 68.09 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 -2.17 -0.17 -0.19 12.58 0.11 -1.26 -0.76 120.40 128.55 1x63 s VAL 38 Ca 0.49 0.13 -0.03 0.00 -2.93 0.00 0.00 61.98 59.65 1x63 s VAL 38 Cb -0.21 -0.56 -0.01 0.00 -1.53 0.00 0.00 36.38 34.07 1x63 s VAL 38 CO 0.75 0.06 -0.07 0.26 -3.33 0.00 0.00 175.10 172.76 1x63 s TRP 39 N 1.67 2.93 0.28 1.54 0.51 -0.34 -3.69 118.94 121.83 1x63 s TRP 39 Ca -0.07 -0.76 -0.27 0.00 -2.12 0.00 0.00 56.10 52.88 1x63 s TRP 39 Cb -0.10 -2.01 -0.15 0.00 -0.81 0.00 0.00 33.47 30.40 1x63 s TRP 39 CO -0.12 -0.38 0.71 0.72 -0.51 0.00 0.00 176.95 177.38 1x63 n HIS 40 N 4.25 0.19 -0.01 -1.98 8.25 -1.26 -0.78 115.22 123.89 1x63 n HIS 40 Ca -0.18 0.79 0.20 0.00 -0.26 0.00 0.00 57.72 58.27 1x63 n HIS 40 Cb 0.52 -2.08 0.41 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 1.36 0.00 0.00 -0.41 3.64 -0.14 1.46 116.57 122.47 1x63 h LYS 41 Ca -0.35 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.67 1x63 h LYS 41 Cb 1.39 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.14 1x63 h LYS 41 CO 0.57 0.00 -2.36 -0.25 -2.27 0.00 0.00 179.45 175.15 1x63 n ASP 42 N -3.11 0.14 -0.04 4.20 9.92 -1.26 -2.81 116.55 123.59 1x63 n ASP 42 Ca 0.14 -0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.27 1x63 n ASP 42 Cb 1.20 0.97 -0.08 0.00 -0.64 0.00 0.00 41.12 42.58 1x63 n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x63 n PHE 44 N -4.61 1.45 -4.61 0.00 7.35 0.47 -4.88 117.46 112.63 1x63 n PHE 44 Ca -0.07 0.14 -0.28 0.00 -0.76 0.00 0.00 57.45 56.49 1x63 n PHE 44 Cb 0.35 -2.60 -0.11 0.00 0.35 0.00 0.00 39.48 37.48 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 9.91 1.97 0.68 -2.13 -4.23 -1.26 0.29 115.64 120.86 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 -0.52 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.36 1x63 s THR 45 CO 0.36 -0.00 1.04 0.00 -0.54 0.00 0.00 174.62 175.48 1x63 n SER 47 N -2.90 0.17 -0.01 0.00 7.64 -0.17 -3.44 113.62 114.91 1x63 n SER 47 Ca 0.06 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.93 1x63 n SER 47 Cb 0.58 1.55 -0.00 0.00 -1.01 0.00 0.00 64.21 65.32 1x63 n SER 47 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1x63 h ASN 48 N 0.00 0.00 1.37 6.43 -1.24 -1.95 -3.41 115.58 116.77 1x63 h ASN 48 Ca -0.23 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.66 1x63 h ASN 48 Cb 1.50 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.53 1x63 h ASN 48 CO 0.01 0.13 -0.64 0.00 -1.29 0.00 0.00 177.43 175.64 1x63 n LYS 50 N -3.21 -2.99 -4.89 0.00 4.76 -1.22 -4.97 118.16 105.65 1x63 n LYS 50 Ca 0.01 0.55 -0.31 0.00 -2.87 0.00 0.00 58.31 55.68 1x63 n LYS 50 Cb 0.77 -4.48 -0.17 0.00 -1.84 0.00 0.00 35.03 29.31 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 -4.43 2.87 -0.43 1.97 -2.07 -1.26 -4.67 119.66 111.63 1x63 s GLN 51 Ca 0.13 -0.81 -0.41 0.00 -1.82 0.00 0.00 55.36 52.45 1x63 s GLN 51 Cb -0.02 -2.25 -0.16 0.00 -1.09 0.00 0.00 33.01 29.49 1x63 s GLN 51 CO 0.47 0.07 2.05 0.28 -1.32 0.00 0.00 175.29 176.84 1x63 n VAL 52 N 3.82 0.09 -0.07 3.63 0.31 -1.26 -2.57 118.33 122.28 1x63 n VAL 52 Ca -0.20 -0.09 -0.21 0.00 -0.01 0.00 0.00 64.34 63.84 1x63 n VAL 52 Cb 0.52 -0.94 -0.12 0.00 -0.91 0.00 0.00 33.84 32.39 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 6.61 0.99 -0.92 2.52 2.04 -0.42 -3.48 117.51 124.85 1x63 h ILE 53 Ca -0.23 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.39 1x63 h ILE 53 Cb 1.37 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 1x63 h ILE 53 CO 1.04 0.45 0.00 0.61 0.00 0.00 0.00 178.15 180.26 1x63 n GLY 54 N 1.55 0.94 0.38 5.37 0.00 -1.04 -2.68 105.19 109.70 1x63 n GLY 54 Ca -0.29 -0.82 0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.32 -1.25 2.61 -2.24 -1.26 -4.58 114.28 107.24 1x63 n THR 55 Ca 0.00 1.82 -0.39 0.00 -2.27 0.00 0.00 64.05 63.21 1x63 n THR 55 Cb 0.00 -2.97 0.01 0.00 -2.10 0.00 0.00 70.33 65.27 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 -1.37 -3.18 3.75 3.38 0.00 -1.09 -4.84 105.19 101.83 1x63 n GLY 56 Ca 0.37 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.00 5.18 0.34 1.61 0.01 -1.26 -4.99 113.70 113.58 1x63 s SER 57 Ca 0.57 2.60 -0.01 0.00 1.31 0.00 0.00 55.95 60.42 1x63 s SER 57 Cb -0.50 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.11 1x63 s SER 57 CO 0.66 -1.62 0.45 0.72 0.41 0.00 0.00 173.24 173.86 1x63 s PHE 58 N -1.41 1.13 -0.35 2.43 -0.71 -1.26 -3.36 117.98 114.45 1x63 s PHE 58 Ca 0.75 -1.33 -0.01 0.00 -1.04 0.00 0.00 56.93 55.30 1x63 s PHE 58 Cb -0.36 -0.16 0.12 0.00 -1.21 0.00 0.00 43.02 41.41 1x63 s PHE 58 CO 0.41 -1.10 0.16 -0.06 -1.34 0.00 0.00 175.22 173.30 1x63 s PHE 59 N -3.12 1.25 0.00 3.49 0.40 0.36 -4.75 117.98 115.61 1x63 s PHE 59 Ca 0.32 -1.70 -0.30 0.00 -0.60 0.00 0.00 56.93 54.64 1x63 s PHE 59 Cb 0.00 -1.40 -0.06 0.00 0.51 0.00 0.00 43.02 42.08 1x63 s PHE 59 CO 0.21 -0.83 1.45 -1.25 0.70 0.00 0.00 175.22 175.49 1x63 s PRO 60 N 1.28 4.26 0.54 0.24 0.04 -1.26 -0.14 135.00 139.97 1x63 s PRO 60 Ca 0.14 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.23 1x63 s PRO 60 Cb -0.20 -3.60 0.02 0.00 0.04 0.00 0.00 34.50 30.76 1x63 s PRO 60 CO -0.15 -0.62 0.23 0.15 0.04 0.00 0.00 177.00 176.66 1x63 s LYS 61 N 2.54 2.23 -0.41 4.56 -0.14 -0.06 -4.92 119.74 123.54 1x63 s LYS 61 Ca 0.65 -2.23 -0.28 0.00 -1.36 0.00 0.00 55.97 52.75 1x63 s LYS 61 Cb -0.32 -1.83 -0.08 0.00 -1.68 0.00 0.00 37.83 33.91 1x63 s LYS 61 CO 0.27 -0.55 2.34 0.41 -0.76 0.00 0.00 175.35 177.06 1x63 n GLY 62 N -1.58 0.47 3.56 -3.33 0.00 -1.26 -1.76 105.19 101.28 1x63 n GLY 62 Ca -0.10 0.76 -0.22 0.00 0.00 0.00 0.00 46.02 46.46 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 8.80 -7.48 -3.88 1.61 4.71 -1.26 -4.96 120.64 118.18 1x63 n GLU 63 Ca 0.37 0.83 0.00 0.00 -0.01 0.00 0.00 57.16 58.35 1x63 n GLU 63 Cb 0.44 -5.86 0.01 0.00 -1.01 0.00 0.00 31.44 25.02 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 -3.65 -0.02 -0.22 1.62 1.01 -0.72 -5.15 116.67 109.55 1x63 s ASP 64 Ca 0.41 -0.36 -0.04 0.00 0.71 0.00 0.00 52.55 53.27 1x63 s ASP 64 Cb -0.18 0.28 0.11 0.00 1.01 0.00 0.00 42.92 44.15 1x63 s ASP 64 CO 0.73 -0.56 0.35 -0.36 0.21 0.00 0.00 175.17 175.55 1x63 s PHE 65 N -2.21 -0.70 -0.24 4.23 0.08 -1.26 -0.88 117.98 117.00 1x63 s PHE 65 Ca 0.23 0.89 -0.09 0.00 0.12 0.00 0.00 56.93 58.08 1x63 s PHE 65 Cb -0.00 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.42 1x63 s PHE 65 CO 0.01 -0.62 0.11 0.71 -0.10 0.00 0.00 175.22 175.33 1x63 s TYR 66 N 2.51 3.20 0.74 0.36 1.51 0.80 -1.00 117.35 125.49 1x63 s TYR 66 Ca 0.08 -0.05 -0.14 0.00 -1.01 0.00 0.00 57.07 55.96 1x63 s TYR 66 Cb -0.14 -2.23 0.05 0.00 -0.11 0.00 0.00 41.96 39.52 1x63 s TYR 66 CO -0.14 -0.10 1.16 0.00 -1.11 0.00 0.00 175.55 175.37 1x63 n VAL 68 N -2.94 -0.15 -0.10 0.00 0.31 -1.21 -0.79 118.33 113.44 1x63 n VAL 68 Ca 0.12 1.41 -0.04 0.00 -0.01 0.00 0.00 64.34 65.83 1x63 n VAL 68 Cb 0.51 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 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 -0.93 2.52 2.02 -1.91 1.20 112.91 115.81 1x63 h THR 69 Ca 0.03 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.46 1x63 h THR 69 Cb 0.09 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.33 1x63 h THR 69 CO -0.20 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.71 1x63 h HIS 71 N 0.04 0.00 -0.16 0.00 2.76 0.13 0.52 115.15 118.44 1x63 h HIS 71 Ca 0.55 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.58 1x63 h HIS 71 Cb 1.09 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.04 1x63 h HIS 71 CO -0.48 0.43 -0.49 0.93 -1.30 0.00 0.00 177.93 177.02 1x63 h GLU 72 N 0.00 0.44 0.01 5.26 4.39 1.13 -0.55 114.58 125.25 1x63 h GLU 72 Ca -0.00 -0.25 -0.34 0.00 0.34 0.00 0.00 59.36 59.10 1x63 h GLU 72 Cb 0.95 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.56 1x63 h GLU 72 CO 0.06 0.83 -2.12 -2.37 -1.16 0.00 0.00 179.01 174.25 1x63 n THR 73 N -3.97 1.51 0.13 1.13 5.66 0.14 -3.76 114.28 115.11 1x63 n THR 73 Ca -0.02 -0.80 -0.06 0.00 -3.05 0.00 0.00 64.05 60.12 1x63 n THR 73 Cb 0.56 -0.84 -0.03 0.00 -1.55 0.00 0.00 70.33 68.47 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 -0.36 0.00 1.09 3.64 -0.00 -3.44 116.57 117.50 1x63 h LYS 74 Ca -0.45 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1x63 h LYS 74 Cb 2.12 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 34.02 1x63 h LYS 74 CO 0.04 -0.24 0.00 1.19 -2.27 0.00 0.00 179.45 178.17 1x63 n PHE 75 N -3.83 0.00 -1.13 1.91 3.72 -0.68 -4.98 117.46 112.47 1x63 n PHE 75 Ca -0.05 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.99 1x63 n PHE 75 Cb 0.15 -0.12 0.05 0.00 -0.94 0.00 0.00 39.48 38.62 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 -1.93 -3.16 -1.24 4.37 0.00 -0.30 -4.95 120.51 113.29 1x63 n ALA 76 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 53.44 52.78 1x63 n ALA 76 Cb 0.00 -1.53 0.24 0.00 0.00 0.00 0.00 19.45 18.16 1x63 n ALA 76 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x63 s SER 77 N -1.27 0.99 0.00 0.00 0.01 -1.25 -4.17 113.70 108.01 1x63 s SER 77 Ca 0.55 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1x63 s SER 77 Cb -0.32 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1x63 s SER 77 CO 0.68 -4.06 0.00 0.61 0.41 0.00 0.00 173.24 170.88 1x63 n GLY 78 N -1.51 3.06 3.57 3.44 0.00 -1.26 -4.63 105.19 107.85 1x63 n GLY 78 Ca 0.15 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1x63 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x63 s PRO 79 N -1.51 2.91 0.15 1.61 0.04 -1.26 -4.87 135.00 132.07 1x63 s PRO 79 Ca 0.00 0.87 -0.16 0.00 0.04 0.00 0.00 61.00 61.75 1x63 s PRO 79 Cb 0.00 -4.30 0.02 0.00 0.04 0.00 0.00 34.50 30.26 1x63 s PRO 79 CO 0.00 -2.38 1.80 0.66 0.04 0.00 0.00 177.00 177.12 1x63 h SER 80 N 13.99 0.49 -3.18 6.66 4.64 -2.02 -3.35 113.55 130.77 1x63 h SER 80 Ca -0.28 -0.03 -0.74 0.00 -0.47 0.00 0.00 61.79 60.26 1x63 h SER 80 Cb 1.16 -0.12 -0.23 0.00 -0.31 0.00 0.00 62.40 62.90 1x63 h SER 80 CO 1.15 0.37 0.11 -0.94 -0.87 0.00 0.00 176.83 176.65 1x63 s SER 81 N -5.60 6.42 0.00 4.97 1.04 -1.26 -5.31 113.70 113.96 1x63 s SER 81 Ca -0.13 -2.00 0.19 0.00 0.48 0.00 0.00 55.95 54.49 1x63 s SER 81 Cb 0.11 -2.26 0.15 0.00 0.10 0.00 0.00 66.02 64.12 1x63 s SER 81 CO 0.73 -0.87 1.10 0.61 0.98 0.00 0.00 173.24 175.79