#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x69 s SER 2 N 0.00 -0.50 -0.27 1.61 0.01 -1.26 -5.15 113.70 108.15 1x69 s SER 2 Ca 0.00 0.90 -0.09 0.00 1.31 0.00 0.00 55.95 58.07 1x69 s SER 2 Cb 0.00 0.84 0.12 0.00 0.21 0.00 0.00 66.02 67.19 1x69 s SER 2 CO 0.00 -0.18 0.57 -0.44 0.41 0.00 0.00 173.24 173.61 1x69 s SER 3 N 0.89 -0.85 0.00 2.44 0.01 -1.26 -5.08 113.70 109.86 1x69 s SER 3 Ca -0.05 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.55 1x69 s SER 3 Cb -0.06 1.98 0.00 0.00 0.21 0.00 0.00 66.02 68.15 1x69 s SER 3 CO -0.07 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1x69 n GLY 4 N 5.43 -1.80 3.77 3.44 0.00 -1.26 -5.13 105.19 109.64 1x69 n GLY 4 Ca -0.10 0.61 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 1x69 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x69 s SER 5 N 2.00 6.66 0.00 1.61 1.04 -1.26 -4.96 113.70 118.79 1x69 s SER 5 Ca 0.00 2.78 -0.30 0.00 0.48 0.00 0.00 55.95 58.91 1x69 s SER 5 Cb 0.00 -2.65 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 1x69 s SER 5 CO 0.00 -0.63 1.13 -0.44 0.98 0.00 0.00 173.24 174.27 1x69 s SER 6 N -0.32 7.16 -1.05 7.02 0.01 -1.26 -4.98 113.70 120.28 1x69 s SER 6 Ca 0.51 1.84 -0.11 0.00 1.31 0.00 0.00 55.95 59.49 1x69 s SER 6 Cb -0.42 -2.57 0.25 0.00 0.21 0.00 0.00 66.02 63.50 1x69 s SER 6 CO 0.55 -0.44 1.05 -0.83 0.41 0.00 0.00 173.24 173.98 1x69 s GLY 7 N 1.15 2.99 0.03 3.44 0.00 -1.26 -4.99 107.32 108.67 1x69 s GLY 7 Ca 0.55 -3.65 0.01 0.00 0.00 0.00 0.00 44.72 41.64 1x69 s GLY 7 CO 0.26 1.39 -0.05 -1.08 0.00 0.00 0.00 173.10 173.62 1x69 s THR 8 N -0.57 0.28 -0.59 0.90 -1.32 -1.26 -5.09 115.64 107.99 1x69 s THR 8 Ca 0.29 -0.92 -0.27 0.00 -1.21 0.00 0.00 61.69 59.58 1x69 s THR 8 Cb -0.09 -0.39 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 1x69 s THR 8 CO -0.08 -0.42 1.84 -0.47 -2.21 0.00 0.00 174.62 173.28 1x69 s TYR 9 N -1.34 1.70 -0.22 9.09 6.14 -1.26 -4.78 117.35 126.68 1x69 s TYR 9 Ca -0.13 0.76 0.14 0.00 0.64 0.00 0.00 57.07 58.49 1x69 s TYR 9 Cb -0.09 -4.11 0.46 0.00 0.42 0.00 0.00 41.96 38.64 1x69 s TYR 9 CO -0.00 -2.35 1.18 -0.25 0.64 0.00 0.00 175.55 174.77 1x69 n ASP 10 N 12.41 2.75 -2.38 4.32 8.00 -1.26 -4.80 116.55 135.60 1x69 n ASP 10 Ca 0.20 -3.15 -0.20 0.00 0.71 0.00 0.00 54.79 52.36 1x69 n ASP 10 Cb 0.51 -0.41 0.02 0.00 -0.02 0.00 0.00 41.12 41.22 1x69 n ASP 10 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1x69 n GLU 11 N -0.61 2.97 -0.08 -1.24 0.00 -1.26 -4.71 120.64 115.72 1x69 n GLU 11 Ca 0.24 -4.09 -0.14 0.00 0.00 0.00 0.00 57.16 53.16 1x69 n GLU 11 Cb 0.89 -2.04 -0.05 0.00 0.00 0.00 0.00 31.44 30.24 1x69 n GLU 11 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1x69 n TYR 12 N -0.52 0.00 -2.51 -1.84 9.36 -1.26 -4.78 117.16 115.60 1x69 n TYR 12 Ca 0.33 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.32 1x69 n TYR 12 Cb 0.81 -0.56 0.01 0.00 -0.63 0.00 0.00 39.34 38.97 1x69 n TYR 12 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1x69 n GLU 13 N -4.11 2.89 -3.73 2.98 4.07 -1.26 -5.00 120.64 116.48 1x69 n GLU 13 Ca -0.25 -4.20 -0.26 0.00 -0.06 0.00 0.00 57.16 52.38 1x69 n GLU 13 Cb 0.59 -2.01 -0.17 0.00 -0.06 0.00 0.00 31.44 29.79 1x69 n GLU 13 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1x69 s ASN 14 N -3.45 2.49 -0.83 4.31 0.02 -1.26 -5.08 114.94 111.14 1x69 s ASN 14 Ca 0.43 -0.60 -0.09 0.00 -1.02 0.00 0.00 52.86 51.58 1x69 s ASN 14 Cb 0.41 -0.51 0.21 0.00 0.02 0.00 0.00 41.25 41.39 1x69 s ASN 14 CO -0.13 -0.28 0.74 1.51 0.02 0.00 0.00 177.10 178.96 1x69 s ASP 15 N 1.92 6.39 0.19 -1.22 1.47 -1.26 -4.90 116.67 119.26 1x69 s ASP 15 Ca 0.01 -2.98 -0.11 0.00 1.18 0.00 0.00 52.55 50.66 1x69 s ASP 15 Cb -0.16 -2.09 0.11 0.00 -0.34 0.00 0.00 42.92 40.44 1x69 s ASP 15 CO -0.07 -0.44 1.78 -0.07 0.68 0.00 0.00 175.17 177.05 1x69 h LEU 16 N 7.24 0.89 0.00 2.11 -0.00 -1.98 -3.43 115.31 120.14 1x69 h LEU 16 Ca 0.09 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1x69 h LEU 16 Cb 0.97 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1x69 h LEU 16 CO 0.79 0.77 0.00 0.61 -0.00 0.00 0.00 178.44 180.61 1x69 n GLY 17 N -0.96 1.35 3.78 0.83 0.00 -1.26 0.12 105.19 109.05 1x69 n GLY 17 Ca 0.05 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 1x69 n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x69 s ILE 18 N 0.00 3.76 0.13 -0.61 1.09 -1.26 -4.80 121.20 119.50 1x69 s ILE 18 Ca 0.00 1.33 0.04 0.00 -1.10 0.00 0.00 60.65 60.92 1x69 s ILE 18 Cb 0.00 -3.68 -0.04 0.00 -1.06 0.00 0.00 42.46 37.68 1x69 s ILE 18 CO 0.00 -0.01 -0.10 0.42 -0.10 0.00 0.00 174.94 175.16 1x69 s THR 19 N -1.68 1.07 0.10 2.92 -4.23 -1.26 -2.64 115.64 109.91 1x69 s THR 19 Ca 0.58 -1.94 -0.13 0.00 -1.18 0.00 0.00 61.69 59.03 1x69 s THR 19 Cb -0.21 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 71.94 1x69 s THR 19 CO 0.27 -0.71 0.30 0.00 -0.54 0.00 0.00 174.62 173.94 1x69 s ALA 20 N -3.11 -0.60 -0.14 3.99 0.00 -1.15 -1.70 121.76 119.06 1x69 s ALA 20 Ca 0.13 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1x69 s ALA 20 Cb 0.01 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1x69 s ALA 20 CO -0.00 -0.55 -0.20 0.54 0.00 0.00 0.00 175.76 175.55 1x69 s VAL 21 N -3.61 1.93 0.37 0.00 0.11 -0.18 -2.22 120.40 116.80 1x69 s VAL 21 Ca 0.02 -0.90 -0.28 0.00 -2.93 0.00 0.00 61.98 57.90 1x69 s VAL 21 Cb 0.03 -1.73 -0.10 0.00 -1.53 0.00 0.00 36.38 33.05 1x69 s VAL 21 CO -0.10 0.52 1.41 0.00 -3.33 0.00 0.00 175.10 173.61 1x69 s ALA 22 N 0.93 3.51 -0.23 1.54 0.00 -1.08 -0.47 121.76 125.95 1x69 s ALA 22 Ca -0.05 1.45 0.08 0.00 0.00 0.00 0.00 51.96 53.44 1x69 s ALA 22 Cb -0.15 -3.56 -0.20 0.00 0.00 0.00 0.00 23.12 19.21 1x69 s ALA 22 CO -0.03 -0.92 -0.11 1.28 0.00 0.00 0.00 175.76 175.98 1x69 n LEU 23 N 0.50 1.77 -4.12 0.00 4.77 -0.40 0.16 117.00 119.68 1x69 n LEU 23 Ca 0.01 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.80 1x69 n LEU 23 Cb 0.40 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 1x69 n LEU 23 CO 0.61 0.76 -0.38 -0.31 -1.33 0.00 0.00 177.39 176.74 1x69 s TYR 24 N -2.50 0.75 0.27 -1.77 1.51 -1.25 -4.49 117.35 109.87 1x69 s TYR 24 Ca -0.25 -0.83 -0.30 0.00 -1.01 0.00 0.00 57.07 54.69 1x69 s TYR 24 Cb 0.08 -0.45 -0.10 0.00 -0.11 0.00 0.00 41.96 41.37 1x69 s TYR 24 CO 0.69 -0.17 1.47 0.16 -1.11 0.00 0.00 175.55 176.58 1x69 s ASP 25 N -2.61 6.58 0.06 2.29 -4.77 -1.26 -4.29 116.67 112.67 1x69 s ASP 25 Ca 0.05 2.75 0.07 0.00 -3.30 0.00 0.00 52.55 52.11 1x69 s ASP 25 Cb 0.02 -2.63 -0.03 0.00 -1.09 0.00 0.00 42.92 39.19 1x69 s ASP 25 CO -0.04 -0.75 -0.19 -0.47 0.70 0.00 0.00 175.17 174.42 1x69 s TYR 26 N -0.11 1.65 -0.33 2.11 5.04 -1.00 -4.96 117.35 119.76 1x69 s TYR 26 Ca 0.59 -0.39 -0.00 0.00 -2.44 0.00 0.00 57.07 54.83 1x69 s TYR 26 Cb -0.43 -0.95 0.11 0.00 0.35 0.00 0.00 41.96 41.03 1x69 s TYR 26 CO 0.46 0.12 0.12 -0.65 -1.34 0.00 0.00 175.55 174.25 1x69 s GLN 27 N -1.45 0.76 0.08 4.97 1.11 -1.26 -3.33 119.66 120.53 1x69 s GLN 27 Ca 0.05 -1.19 -0.37 0.00 0.01 0.00 0.00 55.36 53.86 1x69 s GLN 27 Cb -0.09 -1.98 -0.17 0.00 -1.01 0.00 0.00 33.01 29.75 1x69 s GLN 27 CO 0.03 -1.02 1.25 0.00 0.01 0.00 0.00 175.29 175.55 1x69 n ALA 28 N 4.65 -1.59 -0.01 6.09 0.00 -1.25 -4.86 120.51 123.54 1x69 n ALA 28 Ca -0.00 0.53 -0.06 0.00 0.00 0.00 0.00 53.44 53.91 1x69 n ALA 28 Cb 0.41 -1.99 0.13 0.00 0.00 0.00 0.00 19.45 18.00 1x69 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x69 h ALA 29 N 4.03 0.94 -3.00 0.00 0.00 -1.92 -3.47 119.26 115.84 1x69 h ALA 29 Ca -0.48 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1x69 h ALA 29 Cb 1.36 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x69 h ALA 29 CO 0.74 0.61 0.00 0.41 0.00 0.00 0.00 179.25 181.01 1x69 n GLY 30 N -0.18 5.52 0.13 0.00 0.00 -1.26 -5.07 105.19 104.33 1x69 n GLY 30 Ca -0.01 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 1x69 n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x69 h ASP 31 N 0.00 0.58 -0.58 1.61 5.19 -2.03 -3.34 116.42 117.86 1x69 h ASP 31 Ca 0.00 -0.93 0.12 0.00 -0.62 0.00 0.00 57.03 55.59 1x69 h ASP 31 Cb 0.00 -0.19 -0.10 0.00 0.18 0.00 0.00 39.33 39.22 1x69 h ASP 31 CO 0.00 1.53 -0.02 0.44 -3.12 0.00 0.00 179.24 178.07 1x69 h ASP 32 N -0.19 -0.29 -4.27 6.45 3.32 -1.96 -3.41 116.42 116.07 1x69 h ASP 32 Ca -0.20 0.15 -0.49 0.00 0.02 0.00 0.00 57.03 56.50 1x69 h ASP 32 Cb 1.83 0.27 0.04 0.00 0.22 0.00 0.00 39.33 41.69 1x69 h ASP 32 CO 0.18 -0.11 0.39 -1.61 -1.72 0.00 0.00 179.24 176.37 1x69 s GLU 33 N -6.17 3.67 0.15 3.56 2.02 -1.25 -1.19 118.70 119.49 1x69 s GLU 33 Ca -0.14 0.91 0.09 0.00 0.02 0.00 0.00 54.97 55.85 1x69 s GLU 33 Cb 0.18 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.28 1x69 s GLU 33 CO 0.73 -0.50 -0.15 0.96 0.02 0.00 0.00 175.26 176.31 1x69 s ILE 34 N -2.84 2.93 -0.13 -1.63 -4.36 -1.02 -4.73 121.20 109.42 1x69 s ILE 34 Ca 0.58 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 59.36 1x69 s ILE 34 Cb -0.11 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.20 1x69 s ILE 34 CO 0.42 -0.00 -0.16 -0.44 0.24 0.00 0.00 174.94 175.00 1x69 s SER 35 N -2.46 3.74 0.07 4.36 0.01 -1.26 -3.85 113.70 114.31 1x69 s SER 35 Ca 0.21 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.08 1x69 s SER 35 Cb -0.10 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 1x69 s SER 35 CO 0.12 0.15 -0.06 0.72 0.41 0.00 0.00 173.24 174.59 1x69 s PHE 36 N 0.40 0.72 0.63 2.43 -0.12 -1.21 -4.95 117.98 115.89 1x69 s PHE 36 Ca -0.12 -0.84 -0.11 0.00 -0.05 0.00 0.00 56.93 55.81 1x69 s PHE 36 Cb -0.16 -0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 41.76 1x69 s PHE 36 CO 0.06 -0.19 1.03 0.16 -0.05 0.00 0.00 175.22 176.23 1x69 s ASP 37 N -2.62 6.02 0.19 1.98 1.47 -1.26 -2.37 116.67 120.08 1x69 s ASP 37 Ca 0.05 1.30 -0.30 0.00 1.18 0.00 0.00 52.55 54.77 1x69 s ASP 37 Cb 0.02 -2.30 -0.09 0.00 -0.34 0.00 0.00 42.92 40.21 1x69 s ASP 37 CO -0.05 -0.98 1.31 -2.16 0.68 0.00 0.00 175.17 173.97 1x69 s PRO 38 N -5.19 4.39 -0.65 2.11 0.04 -1.26 -2.98 135.00 131.45 1x69 s PRO 38 Ca 0.55 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.63 1x69 s PRO 38 Cb -0.11 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1x69 s PRO 38 CO 0.53 -0.26 0.03 -0.25 0.04 0.00 0.00 177.00 177.09 1x69 n ASP 39 N 2.71 -2.88 -4.70 6.66 9.92 0.42 -4.94 116.55 123.74 1x69 n ASP 39 Ca 0.06 -0.02 -0.24 0.00 -0.53 0.00 0.00 54.79 54.06 1x69 n ASP 39 Cb 0.43 -2.15 0.10 0.00 -0.64 0.00 0.00 41.12 38.86 1x69 n ASP 39 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1x69 s ASP 40 N -2.68 4.41 -0.10 -2.24 2.15 -1.16 -4.75 116.67 112.30 1x69 s ASP 40 Ca 0.01 -0.11 0.02 0.00 0.43 0.00 0.00 52.55 52.91 1x69 s ASP 40 Cb -0.01 -0.35 -0.01 0.00 -0.30 0.00 0.00 42.92 42.25 1x69 s ASP 40 CO 0.02 -1.82 -0.17 -0.63 -0.17 0.00 0.00 175.17 172.40 1x69 s ILE 41 N -3.19 2.70 0.02 4.11 -1.09 -1.26 -2.64 121.20 119.86 1x69 s ILE 41 Ca 0.65 -0.80 0.06 0.00 -2.23 0.00 0.00 60.65 58.33 1x69 s ILE 41 Cb -0.07 -2.09 -0.02 0.00 -1.58 0.00 0.00 42.46 38.70 1x69 s ILE 41 CO 0.44 0.55 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.88 1x69 s ILE 42 N 0.14 1.52 0.29 2.92 1.09 -0.94 -4.69 121.20 121.52 1x69 s ILE 42 Ca -0.09 -1.02 0.05 0.00 -1.10 0.00 0.00 60.65 58.49 1x69 s ILE 42 Cb -0.15 -1.31 -0.06 0.00 -1.06 0.00 0.00 42.46 39.88 1x69 s ILE 42 CO 0.06 0.25 -0.01 0.42 -0.10 0.00 0.00 174.94 175.56 1x69 s THR 43 N -0.67 1.40 -1.24 2.92 -4.23 -1.22 -2.93 115.64 109.67 1x69 s THR 43 Ca 0.07 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1x69 s THR 43 Cb -0.08 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1x69 s THR 43 CO 0.01 -0.21 0.80 0.59 -0.54 0.00 0.00 174.62 175.27 1x69 n ASN 44 N -0.59 -2.24 -4.74 3.99 5.03 0.33 -1.94 115.26 115.09 1x69 n ASN 44 Ca -0.04 -0.77 -0.40 0.00 0.87 0.00 0.00 54.58 54.23 1x69 n ASN 44 Cb 0.65 -4.39 -0.05 0.00 -1.02 0.00 0.00 39.78 34.96 1x69 n ASN 44 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1x69 s ILE 45 N -3.55 4.50 -0.13 2.41 1.01 -1.08 -3.77 121.20 120.59 1x69 s ILE 45 Ca 0.08 1.88 -0.00 0.00 0.00 0.00 0.00 60.65 62.61 1x69 s ILE 45 Cb -0.02 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 1x69 s ILE 45 CO 0.79 0.39 -0.12 -1.61 0.00 0.00 0.00 174.94 174.39 1x69 s GLU 46 N -0.34 3.35 -0.57 2.79 2.02 0.29 -4.53 118.70 121.71 1x69 s GLU 46 Ca 0.42 -0.66 -0.19 0.00 0.02 0.00 0.00 54.97 54.56 1x69 s GLU 46 Cb -0.23 -2.65 0.09 0.00 0.10 0.00 0.00 34.13 31.44 1x69 s GLU 46 CO 0.27 0.26 0.70 -1.64 0.02 0.00 0.00 175.26 174.87 1x69 s MET 47 N 0.25 3.07 -0.15 1.61 -1.94 -1.26 -1.90 119.30 118.98 1x69 s MET 47 Ca -0.08 -1.20 -0.15 0.00 -1.71 0.00 0.00 55.69 52.56 1x69 s MET 47 Cb -0.15 -4.22 -0.05 0.00 2.01 0.00 0.00 34.83 32.41 1x69 s MET 47 CO 0.05 -1.48 -0.28 -0.89 -0.01 0.00 0.00 175.02 172.41 1x69 n ILE 48 N 5.58 1.26 -4.48 2.53 5.41 -1.26 -5.06 119.36 123.35 1x69 n ILE 48 Ca -0.09 0.20 -0.31 0.00 1.00 0.00 0.00 62.75 63.55 1x69 n ILE 48 Cb 0.43 -2.22 -0.05 0.00 -0.71 0.00 0.00 39.64 37.09 1x69 n ILE 48 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1x69 s ASP 49 N -5.60 4.31 -0.35 4.38 -4.77 -1.19 -5.03 116.67 108.43 1x69 s ASP 49 Ca -0.23 -1.55 0.02 0.00 -3.30 0.00 0.00 52.55 47.48 1x69 s ASP 49 Cb 0.03 0.59 0.41 0.00 -1.09 0.00 0.00 42.92 42.86 1x69 s ASP 49 CO 0.35 -0.99 1.75 0.47 0.70 0.00 0.00 175.17 177.45 1x69 n ASP 50 N -1.47 4.54 0.00 2.11 9.92 -1.26 -4.17 116.55 126.23 1x69 n ASP 50 Ca -0.14 -3.18 0.00 0.00 -0.53 0.00 0.00 54.79 50.94 1x69 n ASP 50 Cb 0.66 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1x69 n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x69 n GLY 51 N -0.49 0.09 3.29 0.44 0.00 -1.26 -5.03 105.19 102.24 1x69 n GLY 51 Ca 0.42 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 46.15 1x69 n GLY 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x69 s TRP 52 N -1.00 1.77 0.15 1.61 0.52 -1.26 -0.51 118.94 120.22 1x69 s TRP 52 Ca 0.00 -0.43 -0.00 0.00 0.02 0.00 0.00 56.10 55.68 1x69 s TRP 52 Cb 0.00 -0.95 -0.04 0.00 -1.15 0.00 0.00 33.47 31.33 1x69 s TRP 52 CO 0.00 0.23 0.05 -1.58 0.02 0.00 0.00 176.95 175.67 1x69 s TRP 53 N -1.38 1.00 -0.17 -1.98 0.51 0.91 -3.14 118.94 114.68 1x69 s TRP 53 Ca 0.08 -1.19 0.01 0.00 -2.12 0.00 0.00 56.10 52.88 1x69 s TRP 53 Cb -0.09 -0.56 0.03 0.00 -0.81 0.00 0.00 33.47 32.05 1x69 s TRP 53 CO 0.05 -0.44 -0.12 1.03 -0.51 0.00 0.00 176.95 176.95 1x69 s ARG 54 N -4.02 2.17 0.17 4.98 0.52 -0.80 -1.02 118.95 120.95 1x69 s ARG 54 Ca 0.25 -0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 54.70 1x69 s ARG 54 Cb 0.07 -2.26 -0.02 0.00 0.52 0.00 0.00 34.95 33.26 1x69 s ARG 54 CO 0.03 -0.33 0.22 0.20 0.02 0.00 0.00 175.30 175.44 1x69 s GLY 55 N 1.44 0.73 -0.52 -3.53 0.00 -1.23 0.10 107.32 104.32 1x69 s GLY 55 Ca 0.02 -1.14 -0.20 0.00 0.00 0.00 0.00 44.72 43.41 1x69 s GLY 55 CO -0.10 -1.03 0.66 0.14 0.00 0.00 0.00 173.10 172.78 1x69 s VAL 56 N -4.02 4.82 -0.12 1.40 1.01 -0.82 -3.50 120.40 119.17 1x69 s VAL 56 Ca 0.22 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1x69 s VAL 56 Cb 0.05 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1x69 s VAL 56 CO 0.03 -0.86 -0.16 0.00 0.00 0.00 0.00 175.10 174.11 1x69 n LYS 58 N 3.56 -2.65 -2.54 0.00 5.02 -1.26 -0.02 118.16 120.27 1x69 n LYS 58 Ca -0.18 0.29 -0.03 0.00 -2.02 0.00 0.00 58.31 56.37 1x69 n LYS 58 Cb 0.53 -4.90 0.01 0.00 -0.02 0.00 0.00 35.03 30.65 1x69 n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x69 n GLY 59 N -0.90 0.71 3.15 0.72 0.00 -1.26 -5.06 105.19 102.55 1x69 n GLY 59 Ca -0.01 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 1x69 n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x69 s ARG 60 N -4.97 0.26 -0.31 1.61 0.52 0.97 -5.13 118.95 111.91 1x69 s ARG 60 Ca 0.05 0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 56.04 1x69 s ARG 60 Cb -0.02 0.07 0.04 0.00 0.52 0.00 0.00 34.95 35.56 1x69 s ARG 60 CO 0.08 -0.23 0.04 -0.47 0.02 0.00 0.00 175.30 174.75 1x69 s TYR 61 N 2.10 3.23 0.16 -0.53 5.04 -1.26 -0.17 117.35 125.91 1x69 s TYR 61 Ca -0.04 -1.57 -0.05 0.00 -2.44 0.00 0.00 57.07 52.98 1x69 s TYR 61 Cb -0.11 -2.18 0.02 0.00 0.35 0.00 0.00 41.96 40.04 1x69 s TYR 61 CO -0.11 -0.74 0.29 0.41 -1.34 0.00 0.00 175.55 174.06 1x69 n GLY 62 N 4.73 1.86 3.75 8.97 0.00 -1.23 -4.96 105.19 118.32 1x69 n GLY 62 Ca -0.13 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 1x69 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x69 s LEU 63 N 0.00 4.63 -0.09 0.99 1.43 -0.33 -3.56 118.68 121.75 1x69 s LEU 63 Ca 0.08 1.89 -0.18 0.00 -1.03 0.00 0.00 54.13 54.89 1x69 s LEU 63 Cb -0.02 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.69 1x69 s LEU 63 CO 0.06 0.16 0.43 0.72 0.23 0.00 0.00 176.35 177.95 1x69 s PHE 64 N -1.11 -0.40 0.10 0.29 -0.12 -0.18 -2.43 117.98 114.11 1x69 s PHE 64 Ca 0.40 0.85 -0.31 0.00 -0.05 0.00 0.00 56.93 57.82 1x69 s PHE 64 Cb -0.25 0.18 -0.07 0.00 -0.63 0.00 0.00 43.02 42.24 1x69 s PHE 64 CO 0.31 -0.35 1.37 -1.25 -0.05 0.00 0.00 175.22 175.25 1x69 s PRO 65 N -0.56 4.33 0.00 1.99 0.04 -1.26 -0.06 135.00 139.48 1x69 s PRO 65 Ca -0.07 2.03 0.21 0.00 0.04 0.00 0.00 61.00 63.21 1x69 s PRO 65 Cb -0.03 -3.29 1.21 0.00 0.04 0.00 0.00 34.50 32.43 1x69 s PRO 65 CO 0.03 -0.43 1.65 0.00 0.04 0.00 0.00 177.00 178.29 1x69 n ALA 66 N 4.06 2.24 0.07 8.56 0.00 0.33 -2.79 120.51 132.98 1x69 n ALA 66 Ca 0.11 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 1x69 n ALA 66 Cb 0.43 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 1x69 n ALA 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1x69 h ASN 67 N 0.00 0.44 -0.03 0.00 2.35 -1.91 -3.27 115.58 113.17 1x69 h ASN 67 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 1x69 h ASN 67 Cb 0.05 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1x69 h ASN 67 CO 0.00 1.49 0.00 -1.22 -1.65 0.00 0.00 177.43 176.05 1x69 n TYR 68 N -3.49 0.05 -4.06 1.19 4.02 -1.12 -4.81 117.16 108.93 1x69 n TYR 68 Ca -0.17 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.90 57.60 1x69 n TYR 68 Cb 1.05 -0.02 -0.08 0.00 -0.02 0.00 0.00 39.34 40.26 1x69 n TYR 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1x69 s VAL 69 N -1.77 0.05 -0.16 -0.72 -7.23 -1.23 -1.28 120.40 108.06 1x69 s VAL 69 Ca 0.02 -1.65 -0.05 0.00 -1.81 0.00 0.00 61.98 58.50 1x69 s VAL 69 Cb 0.01 -2.08 0.06 0.00 0.56 0.00 0.00 36.38 34.93 1x69 s VAL 69 CO 0.01 -0.24 0.11 -0.70 -0.31 0.00 0.00 175.10 173.97 1x69 s GLU 70 N -4.03 0.06 0.38 4.82 2.12 0.38 -4.84 118.70 117.58 1x69 s GLU 70 Ca 0.24 0.02 -0.26 0.00 0.36 0.00 0.00 54.97 55.33 1x69 s GLU 70 Cb 0.05 -1.58 -0.11 0.00 0.26 0.00 0.00 34.13 32.74 1x69 s GLU 70 CO 0.04 -0.63 1.14 1.28 -0.54 0.00 0.00 175.26 176.55 1x69 n LEU 71 N 5.29 3.01 -4.68 2.70 4.77 -1.26 -1.01 117.00 125.81 1x69 n LEU 71 Ca -0.06 1.12 -0.35 0.00 -0.03 0.00 0.00 56.01 56.68 1x69 n LEU 71 Cb 0.49 -1.41 -0.09 0.00 -2.33 0.00 0.00 43.42 40.09 1x69 n LEU 71 CO 0.09 -1.03 -0.19 -0.13 -1.33 0.00 0.00 177.39 174.80 1x69 s ARG 72 N -1.94 4.10 -0.29 3.23 0.52 -0.69 -4.84 118.95 119.04 1x69 s ARG 72 Ca 0.60 -0.26 -0.20 0.00 -0.52 0.00 0.00 55.73 55.35 1x69 s ARG 72 Cb -0.57 -3.42 0.14 0.00 0.52 0.00 0.00 34.95 31.61 1x69 s ARG 72 CO 0.59 0.20 1.03 -1.14 0.02 0.00 0.00 175.30 176.01 1x69 s GLN 73 N 0.63 0.39 -0.23 3.54 0.74 -1.26 -4.70 119.66 118.77 1x69 s GLN 73 Ca 0.07 0.58 -0.07 0.00 0.05 0.00 0.00 55.36 55.99 1x69 s GLN 73 Cb -0.12 0.13 -0.12 0.00 1.10 0.00 0.00 33.01 34.00 1x69 s GLN 73 CO 0.01 -0.07 -0.26 -1.13 -0.55 0.00 0.00 175.29 173.29 1x69 n SER 74 N 3.04 1.91 0.00 6.67 3.41 -1.26 -5.11 113.62 122.28 1x69 n SER 74 Ca -0.16 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1x69 n SER 74 Cb 0.57 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1x69 n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x69 n GLY 75 N 1.88 0.45 3.56 5.00 0.00 -1.26 -5.05 105.19 109.77 1x69 n GLY 75 Ca -0.44 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1x69 n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x69 s PRO 76 N 0.00 2.57 0.53 1.61 0.04 -1.26 -4.97 135.00 133.53 1x69 s PRO 76 Ca 0.00 -0.02 -0.18 0.00 0.04 0.00 0.00 61.00 60.84 1x69 s PRO 76 Cb 0.00 -4.86 -0.06 0.00 0.04 0.00 0.00 34.50 29.61 1x69 s PRO 76 CO 0.00 -3.19 1.05 -1.54 0.04 0.00 0.00 177.00 173.36 1x69 s SER 77 N 8.07 6.11 0.59 6.66 1.04 -1.26 -5.05 113.70 129.85 1x69 s SER 77 Ca 0.69 1.89 -0.03 0.00 0.48 0.00 0.00 55.95 58.98 1x69 s SER 77 Cb -0.08 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.52 1x69 s SER 77 CO 0.06 -0.94 0.87 -0.94 0.98 0.00 0.00 173.24 173.26 1x69 s SER 78 N -2.32 5.28 0.00 7.02 1.04 -1.26 -5.25 113.70 118.22 1x69 s SER 78 Ca 0.66 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1x69 s SER 78 Cb -0.16 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.72 1x69 s SER 78 CO 0.27 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.89