#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x69 h SER 2 N 0.00 -0.11 -3.54 1.61 4.64 -2.11 -3.42 113.55 110.62 1x69 h SER 2 Ca 0.00 -0.17 -0.52 0.00 -0.47 0.00 0.00 61.79 60.63 1x69 h SER 2 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1x69 h SER 2 CO 0.00 0.11 0.47 -0.44 -0.87 0.00 0.00 176.83 176.10 1x69 s SER 3 N -5.27 7.29 0.00 4.97 0.01 -1.26 -5.04 113.70 114.40 1x69 s SER 3 Ca -0.14 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.16 1x69 s SER 3 Cb 0.04 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1x69 s SER 3 CO 0.64 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.69 1x69 n GLY 4 N 2.15 0.19 3.57 3.44 0.00 -1.26 -4.78 105.19 108.50 1x69 n GLY 4 Ca 0.03 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1x69 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x69 n SER 5 N 0.00 2.89 -0.08 1.61 2.88 -1.26 -4.78 113.62 114.88 1x69 n SER 5 Ca 0.00 0.03 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 1x69 n SER 5 Cb 0.00 -1.53 -0.05 0.00 -0.75 0.00 0.00 64.21 61.88 1x69 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x69 n SER 6 N 12.68 1.52 0.00 -3.46 7.64 -1.26 -5.03 113.62 125.70 1x69 n SER 6 Ca 0.33 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1x69 n SER 6 Cb 0.45 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1x69 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x69 n GLY 7 N 1.91 2.58 2.64 0.23 0.00 -1.26 -5.02 105.19 106.26 1x69 n GLY 7 Ca -0.26 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 1x69 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x69 n THR 8 N 0.00 0.00 -2.61 2.61 -2.24 -1.26 -4.86 114.28 105.92 1x69 n THR 8 Ca 0.00 -0.41 -0.37 0.00 -2.27 0.00 0.00 64.05 61.00 1x69 n THR 8 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1x69 n THR 8 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1x69 s TYR 9 N -1.65 3.42 -0.31 4.78 1.13 -1.26 -5.03 117.35 118.42 1x69 s TYR 9 Ca 0.44 1.69 -0.09 0.00 -1.41 0.00 0.00 57.07 57.70 1x69 s TYR 9 Cb -0.36 -3.08 0.00 0.00 -1.10 0.00 0.00 41.96 37.42 1x69 s TYR 9 CO 0.57 -0.38 0.14 -0.51 -2.51 0.00 0.00 175.55 172.86 1x69 s ASP 10 N -1.52 5.45 0.05 -0.18 1.11 -1.26 -5.05 116.67 115.26 1x69 s ASP 10 Ca 0.54 -0.62 -0.32 0.00 0.18 0.00 0.00 52.55 52.33 1x69 s ASP 10 Cb -0.22 -1.97 -0.17 0.00 1.07 0.00 0.00 42.92 41.63 1x69 s ASP 10 CO 0.28 -0.21 0.81 -0.62 1.18 0.00 0.00 175.17 176.61 1x69 n GLU 11 N 4.95 0.00 -0.05 8.23 4.71 -1.26 -4.90 120.64 132.32 1x69 n GLU 11 Ca -0.14 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 56.93 1x69 n GLU 11 Cb 0.48 -1.20 -0.03 0.00 -1.01 0.00 0.00 31.44 29.69 1x69 n GLU 11 CO 0.00 0.00 0.00 2.48 0.09 0.00 0.00 177.13 179.70 1x69 n TYR 12 N 0.97 0.00 -3.47 -0.32 4.11 -1.26 -4.88 117.16 112.31 1x69 n TYR 12 Ca 0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.81 1x69 n TYR 12 Cb 0.11 -0.38 -0.09 0.00 -0.00 0.00 0.00 39.34 38.98 1x69 n TYR 12 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1x69 n GLU 13 N -4.05 1.61 -1.93 -3.48 4.71 -1.26 -5.02 120.64 111.22 1x69 n GLU 13 Ca -0.14 -4.07 -0.41 0.00 -0.01 0.00 0.00 57.16 52.53 1x69 n GLU 13 Cb 0.41 -1.93 -0.02 0.00 -1.01 0.00 0.00 31.44 28.90 1x69 n GLU 13 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1x69 n ASN 14 N 1.51 3.82 -3.65 1.62 4.05 -1.26 -4.78 115.26 116.57 1x69 n ASN 14 Ca 0.26 -2.81 -0.02 0.00 0.45 0.00 0.00 54.58 52.46 1x69 n ASN 14 Cb 0.44 -1.59 -0.06 0.00 1.23 0.00 0.00 39.78 39.79 1x69 n ASN 14 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 1x69 s ASP 15 N 4.35 -0.43 0.00 1.20 1.47 -1.26 -5.07 116.67 116.93 1x69 s ASP 15 Ca 0.54 0.69 0.00 0.00 1.18 0.00 0.00 52.55 54.97 1x69 s ASP 15 Cb 0.09 1.16 0.00 0.00 -0.34 0.00 0.00 42.92 43.83 1x69 s ASP 15 CO 0.04 -0.11 0.00 0.18 0.68 0.00 0.00 175.17 175.96 1x69 n LEU 16 N 3.56 1.05 0.00 2.11 4.77 -1.26 -4.81 117.00 122.41 1x69 n LEU 16 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1x69 n LEU 16 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1x69 n LEU 16 CO 0.03 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1x69 n GLY 17 N 2.78 1.27 3.77 -0.72 0.00 -1.26 0.91 105.19 111.94 1x69 n GLY 17 Ca 0.00 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 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 3.45 0.02 -0.61 1.09 -1.26 -4.81 121.20 119.08 1x69 s ILE 18 Ca 0.00 1.18 0.03 0.00 -1.10 0.00 0.00 60.65 60.76 1x69 s ILE 18 Cb 0.00 -3.64 -0.02 0.00 -1.06 0.00 0.00 42.46 37.75 1x69 s ILE 18 CO 0.00 0.07 -0.10 0.42 -0.10 0.00 0.00 174.94 175.23 1x69 s THR 19 N -1.52 0.76 0.04 2.92 -4.23 -1.26 -3.10 115.64 109.26 1x69 s THR 19 Ca 0.57 -0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 60.28 1x69 s THR 19 Cb -0.26 -0.71 -0.01 0.00 1.34 0.00 0.00 72.50 72.86 1x69 s THR 19 CO 0.33 -0.03 0.09 0.00 -0.54 0.00 0.00 174.62 174.48 1x69 s ALA 20 N -0.71 -0.03 -0.05 3.99 0.00 -1.09 -1.10 121.76 122.77 1x69 s ALA 20 Ca -0.01 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1x69 s ALA 20 Cb -0.06 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 1x69 s ALA 20 CO 0.00 -0.34 -0.13 0.54 0.00 0.00 0.00 175.76 175.83 1x69 s VAL 21 N -2.82 3.15 0.23 0.00 0.11 0.44 -1.76 120.40 119.75 1x69 s VAL 21 Ca -0.03 -0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 58.03 1x69 s VAL 21 Cb 0.00 -2.25 -0.09 0.00 -1.53 0.00 0.00 36.38 32.52 1x69 s VAL 21 CO -0.06 0.59 1.07 0.00 -3.33 0.00 0.00 175.10 173.37 1x69 s ALA 22 N -0.71 3.38 -0.17 1.54 0.00 -0.91 0.35 121.76 125.23 1x69 s ALA 22 Ca 0.11 0.81 0.10 0.00 0.00 0.00 0.00 51.96 52.97 1x69 s ALA 22 Cb -0.11 -3.32 -0.23 0.00 0.00 0.00 0.00 23.12 19.47 1x69 s ALA 22 CO 0.01 -0.11 0.16 1.28 0.00 0.00 0.00 175.76 177.09 1x69 n LEU 23 N 1.78 1.28 -4.02 0.00 4.77 0.60 0.31 117.00 121.71 1x69 n LEU 23 Ca 0.00 0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 1x69 n LEU 23 Cb 0.46 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1x69 n LEU 23 CO 0.53 0.63 -0.33 -0.31 -1.33 0.00 0.00 177.39 176.59 1x69 s TYR 24 N -2.53 0.38 0.16 -1.77 1.51 -1.24 -4.51 117.35 109.35 1x69 s TYR 24 Ca -0.17 -0.80 -0.31 0.00 -1.01 0.00 0.00 57.07 54.79 1x69 s TYR 24 Cb 0.07 -0.28 -0.09 0.00 -0.11 0.00 0.00 41.96 41.55 1x69 s TYR 24 CO 0.76 -0.33 1.46 0.16 -1.11 0.00 0.00 175.55 176.49 1x69 s ASP 25 N -2.35 6.72 0.15 2.29 -4.77 -1.26 -4.39 116.67 113.05 1x69 s ASP 25 Ca -0.02 2.49 0.11 0.00 -3.30 0.00 0.00 52.55 51.83 1x69 s ASP 25 Cb 0.01 -2.60 -0.04 0.00 -1.09 0.00 0.00 42.92 39.20 1x69 s ASP 25 CO -0.06 -0.71 -0.25 -0.47 0.70 0.00 0.00 175.17 174.38 1x69 s TYR 26 N 0.85 2.19 -0.34 2.11 6.14 -1.10 -4.96 117.35 122.24 1x69 s TYR 26 Ca 0.65 -0.39 0.01 0.00 0.64 0.00 0.00 57.07 57.98 1x69 s TYR 26 Cb -0.40 -1.15 0.11 0.00 0.42 0.00 0.00 41.96 40.93 1x69 s TYR 26 CO 0.33 0.36 0.12 -0.65 0.64 0.00 0.00 175.55 176.35 1x69 s GLN 27 N -2.26 0.99 -0.14 4.97 -1.52 -1.26 -3.69 119.66 116.76 1x69 s GLN 27 Ca 0.15 -1.44 -0.32 0.00 -1.95 0.00 0.00 55.36 51.80 1x69 s GLN 27 Cb -0.09 -2.32 -0.15 0.00 -0.22 0.00 0.00 33.01 30.23 1x69 s GLN 27 CO 0.07 -1.01 0.94 0.00 -0.25 0.00 0.00 175.29 175.04 1x69 n ALA 28 N 4.45 -2.18 0.82 6.09 0.00 -1.24 -4.79 120.51 123.67 1x69 n ALA 28 Ca 0.01 0.42 0.05 0.00 0.00 0.00 0.00 53.44 53.93 1x69 n ALA 28 Cb 0.40 -1.36 0.16 0.00 0.00 0.00 0.00 19.45 18.65 1x69 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x69 n ALA 29 N 1.81 2.52 -3.64 0.00 0.00 -1.26 -4.87 120.51 115.06 1x69 n ALA 29 Ca 0.18 -0.63 -0.04 0.00 0.00 0.00 0.00 53.44 52.95 1x69 n ALA 29 Cb 0.02 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.42 1x69 n ALA 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x69 s GLY 30 N -0.93 0.25 0.50 0.00 0.00 -1.26 -4.98 107.32 100.91 1x69 s GLY 30 Ca 0.23 3.31 0.39 0.00 0.00 0.00 0.00 44.72 48.65 1x69 s GLY 30 CO 0.15 1.79 1.30 2.09 0.00 0.00 0.00 173.10 178.43 1x69 n ASP 31 N 1.48 0.00 -0.06 1.64 5.68 -1.26 0.21 116.55 124.24 1x69 n ASP 31 Ca -0.09 0.81 -0.13 0.00 -0.50 0.00 0.00 54.79 54.89 1x69 n ASP 31 Cb 0.57 -0.38 -0.06 0.00 -1.14 0.00 0.00 41.12 40.11 1x69 n ASP 31 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1x69 h ASP 32 N 0.00 0.41 -4.31 -1.12 3.32 -1.96 -3.45 116.42 109.32 1x69 h ASP 32 Ca 0.72 -0.43 -0.50 0.00 0.02 0.00 0.00 57.03 56.83 1x69 h ASP 32 Cb 3.12 -0.11 0.07 0.00 0.22 0.00 0.00 39.33 42.63 1x69 h ASP 32 CO -0.01 0.75 0.38 -1.61 -1.72 0.00 0.00 179.24 177.04 1x69 s GLU 33 N -4.49 3.27 0.22 3.56 2.02 0.57 -2.04 118.70 121.81 1x69 s GLU 33 Ca -0.14 0.94 0.08 0.00 0.02 0.00 0.00 54.97 55.88 1x69 s GLU 33 Cb 0.06 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 1x69 s GLU 33 CO 0.75 -0.84 0.00 0.96 0.02 0.00 0.00 175.26 176.16 1x69 s ILE 34 N -2.95 3.60 -0.12 -1.63 -4.36 -0.76 -4.68 121.20 110.30 1x69 s ILE 34 Ca 0.58 -1.66 0.03 0.00 -0.26 0.00 0.00 60.65 59.34 1x69 s ILE 34 Cb -0.13 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1x69 s ILE 34 CO 0.50 -0.24 -0.23 -0.94 0.24 0.00 0.00 174.94 174.27 1x69 s SER 35 N -3.32 3.13 0.05 4.36 1.04 -1.26 -3.64 113.70 114.06 1x69 s SER 35 Ca 0.29 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1x69 s SER 35 Cb -0.08 -1.43 -0.03 0.00 0.10 0.00 0.00 66.02 64.58 1x69 s SER 35 CO 0.19 0.12 -0.11 0.72 0.98 0.00 0.00 173.24 175.14 1x69 s PHE 36 N 0.59 0.94 0.74 5.02 -0.12 -1.24 -4.96 117.98 118.94 1x69 s PHE 36 Ca -0.13 -0.46 -0.11 0.00 -0.05 0.00 0.00 56.93 56.19 1x69 s PHE 36 Cb -0.17 -0.54 0.03 0.00 -0.63 0.00 0.00 43.02 41.71 1x69 s PHE 36 CO 0.03 -0.01 1.07 -0.51 -0.05 0.00 0.00 175.22 175.76 1x69 s ASP 37 N -1.57 4.96 0.23 1.98 1.01 -1.26 -2.72 116.67 119.29 1x69 s ASP 37 Ca -0.05 1.55 -0.30 0.00 0.71 0.00 0.00 52.55 54.46 1x69 s ASP 37 Cb -0.10 -2.37 -0.09 0.00 1.01 0.00 0.00 42.92 41.38 1x69 s ASP 37 CO 0.01 -1.70 1.29 -2.16 0.21 0.00 0.00 175.17 172.82 1x69 s PRO 38 N -5.05 4.41 -0.80 8.23 0.04 -1.26 -3.25 135.00 137.32 1x69 s PRO 38 Ca 0.59 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.63 1x69 s PRO 38 Cb -0.15 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1x69 s PRO 38 CO 0.55 -0.20 0.68 -0.25 0.04 0.00 0.00 177.00 177.82 1x69 n ASP 39 N 2.21 -4.56 -4.98 6.66 9.92 0.15 -4.95 116.55 121.00 1x69 n ASP 39 Ca 0.04 -0.31 -0.20 0.00 -0.53 0.00 0.00 54.79 53.80 1x69 n ASP 39 Cb 0.43 -3.15 0.02 0.00 -0.64 0.00 0.00 41.12 37.77 1x69 n ASP 39 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1x69 s ASP 40 N -3.17 5.25 -0.09 -2.24 1.11 -1.20 -4.81 116.67 111.53 1x69 s ASP 40 Ca 0.34 -0.71 0.01 0.00 0.18 0.00 0.00 52.55 52.37 1x69 s ASP 40 Cb -0.15 -0.21 -0.02 0.00 1.07 0.00 0.00 42.92 43.61 1x69 s ASP 40 CO 0.41 -0.97 -0.12 -0.63 1.18 0.00 0.00 175.17 175.04 1x69 s ILE 41 N -2.52 3.17 0.01 0.77 -1.09 -1.26 -2.15 121.20 118.13 1x69 s ILE 41 Ca 0.54 -0.65 0.05 0.00 -2.23 0.00 0.00 60.65 58.36 1x69 s ILE 41 Cb -0.06 -2.29 -0.02 0.00 -1.58 0.00 0.00 42.46 38.51 1x69 s ILE 41 CO 0.33 0.56 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.80 1x69 s ILE 42 N -0.25 1.32 0.26 2.92 1.09 -0.72 -4.72 121.20 121.10 1x69 s ILE 42 Ca 0.02 -0.88 0.03 0.00 -1.10 0.00 0.00 60.65 58.71 1x69 s ILE 42 Cb -0.13 -1.13 -0.06 0.00 -1.06 0.00 0.00 42.46 40.08 1x69 s ILE 42 CO 0.03 0.23 0.04 0.42 -0.10 0.00 0.00 174.94 175.56 1x69 s THR 43 N -0.60 0.95 -1.30 2.92 -4.23 -1.21 -2.68 115.64 109.49 1x69 s THR 43 Ca 0.05 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 58.49 1x69 s THR 43 Cb -0.07 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1x69 s THR 43 CO 0.00 -0.14 1.12 0.59 -0.54 0.00 0.00 174.62 175.65 1x69 n ASN 44 N -0.51 -4.77 -4.77 3.99 5.03 0.26 -1.18 115.26 113.32 1x69 n ASN 44 Ca -0.03 -0.57 -0.39 0.00 0.87 0.00 0.00 54.58 54.46 1x69 n ASN 44 Cb 0.65 -5.07 -0.06 0.00 -1.02 0.00 0.00 39.78 34.29 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 -3.34 3.99 -0.07 2.41 1.01 -1.18 -3.54 121.20 120.48 1x69 s ILE 45 Ca 0.37 1.82 0.05 0.00 0.00 0.00 0.00 60.65 62.89 1x69 s ILE 45 Cb -0.16 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.21 1x69 s ILE 45 CO 0.73 0.30 -0.23 -1.61 0.00 0.00 0.00 174.94 174.13 1x69 s GLU 46 N -1.67 2.62 -0.58 2.79 8.01 0.42 -4.51 118.70 125.78 1x69 s GLU 46 Ca 0.47 -0.84 -0.20 0.00 0.01 0.00 0.00 54.97 54.40 1x69 s GLU 46 Cb -0.24 -2.11 0.08 0.00 -4.31 0.00 0.00 34.13 27.55 1x69 s GLU 46 CO 0.30 0.27 0.75 -1.64 0.01 0.00 0.00 175.26 174.95 1x69 s MET 47 N 0.09 3.09 -0.09 1.61 -1.94 -1.26 -1.81 119.30 118.98 1x69 s MET 47 Ca -0.10 -1.07 -0.11 0.00 -1.71 0.00 0.00 55.69 52.70 1x69 s MET 47 Cb -0.15 -4.21 -0.04 0.00 2.01 0.00 0.00 34.83 32.44 1x69 s MET 47 CO 0.06 -1.52 -0.22 -0.89 -0.01 0.00 0.00 175.02 172.43 1x69 n ILE 48 N 5.67 1.22 -3.60 2.53 5.41 -1.26 -5.06 119.36 124.28 1x69 n ILE 48 Ca -0.07 0.23 -0.20 0.00 1.00 0.00 0.00 62.75 63.71 1x69 n ILE 48 Cb 0.44 -2.04 -0.02 0.00 -0.71 0.00 0.00 39.64 37.31 1x69 n ILE 48 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1x69 s ASP 49 N -5.69 5.41 -0.08 4.38 1.11 -1.10 -4.99 116.67 115.70 1x69 s ASP 49 Ca -0.18 -0.49 0.01 0.00 0.18 0.00 0.00 52.55 52.07 1x69 s ASP 49 Cb 0.03 -0.89 0.14 0.00 1.07 0.00 0.00 42.92 43.26 1x69 s ASP 49 CO 0.27 -0.48 1.07 -0.67 1.18 0.00 0.00 175.17 176.53 1x69 n ASP 50 N -1.52 2.83 0.00 0.27 2.03 -1.26 -3.89 116.55 115.01 1x69 n ASP 50 Ca 0.01 -2.28 0.00 0.00 0.52 0.00 0.00 54.79 53.03 1x69 n ASP 50 Cb 0.60 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1x69 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x69 n GLY 51 N 0.16 0.10 3.45 0.27 0.00 -1.26 -5.06 105.19 102.84 1x69 n GLY 51 Ca 0.10 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 2.54 0.20 1.61 0.52 -1.25 -0.19 118.94 121.37 1x69 s TRP 52 Ca 0.00 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 55.88 1x69 s TRP 52 Cb 0.00 -1.45 -0.05 0.00 -1.15 0.00 0.00 33.47 30.82 1x69 s TRP 52 CO 0.00 0.25 -0.00 -1.58 0.02 0.00 0.00 176.95 175.63 1x69 s TRP 53 N -0.92 1.38 -0.13 -1.98 0.51 0.71 -2.71 118.94 115.80 1x69 s TRP 53 Ca 0.14 -0.96 0.00 0.00 -2.12 0.00 0.00 56.10 53.16 1x69 s TRP 53 Cb -0.10 -0.79 0.02 0.00 -0.81 0.00 0.00 33.47 31.79 1x69 s TRP 53 CO 0.05 -0.12 -0.12 1.03 -0.51 0.00 0.00 176.95 177.29 1x69 s ARG 54 N -3.88 1.99 0.18 4.98 0.52 -0.75 -1.04 118.95 120.95 1x69 s ARG 54 Ca 0.26 -0.44 -0.06 0.00 -0.52 0.00 0.00 55.73 54.98 1x69 s ARG 54 Cb 0.06 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.61 1x69 s ARG 54 CO 0.06 -0.25 0.22 0.20 0.02 0.00 0.00 175.30 175.56 1x69 s GLY 55 N 1.57 0.89 -0.53 -3.53 0.00 -1.23 0.16 107.32 104.65 1x69 s GLY 55 Ca 0.05 -1.26 -0.21 0.00 0.00 0.00 0.00 44.72 43.30 1x69 s GLY 55 CO -0.10 -1.08 0.74 0.14 0.00 0.00 0.00 173.10 172.81 1x69 s VAL 56 N -4.05 4.69 -0.13 1.40 1.01 -0.32 -3.56 120.40 119.44 1x69 s VAL 56 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1x69 s VAL 56 Cb 0.05 -4.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1x69 s VAL 56 CO 0.06 -0.93 -0.14 0.00 0.00 0.00 0.00 175.10 174.09 1x69 n LYS 58 N 3.51 -1.90 -1.42 0.00 5.02 -1.26 0.75 118.16 122.86 1x69 n LYS 58 Ca -0.18 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1x69 n LYS 58 Cb 0.53 -4.61 0.00 0.00 -0.02 0.00 0.00 35.03 30.93 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 -0.37 0.98 2.91 0.72 0.00 -1.26 -5.08 105.19 103.09 1x69 n GLY 59 Ca -0.06 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.98 0.08 -0.30 1.61 0.52 0.23 -5.12 118.95 112.98 1x69 s ARG 60 Ca 0.00 0.54 -0.05 0.00 -0.52 0.00 0.00 55.73 55.70 1x69 s ARG 60 Cb 0.00 -0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.30 1x69 s ARG 60 CO 0.00 -0.25 0.06 -0.47 0.02 0.00 0.00 175.30 174.65 1x69 s TYR 61 N 1.93 3.18 0.16 -0.53 5.04 -1.25 -0.25 117.35 125.63 1x69 s TYR 61 Ca -0.02 -1.33 -0.05 0.00 -2.44 0.00 0.00 57.07 53.23 1x69 s TYR 61 Cb -0.12 -2.21 0.02 0.00 0.35 0.00 0.00 41.96 40.00 1x69 s TYR 61 CO -0.06 -0.68 0.30 0.41 -1.34 0.00 0.00 175.55 174.17 1x69 n GLY 62 N 4.79 1.85 3.78 8.97 0.00 -1.23 -4.96 105.19 118.39 1x69 n GLY 62 Ca -0.14 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 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 4.47 -0.08 0.99 1.43 -0.86 -3.55 118.68 121.08 1x69 s LEU 63 Ca 0.08 1.71 -0.25 0.00 -1.03 0.00 0.00 54.13 54.63 1x69 s LEU 63 Cb -0.02 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.62 1x69 s LEU 63 CO 0.06 0.08 0.59 0.72 0.23 0.00 0.00 176.35 178.02 1x69 s PHE 64 N -1.38 -0.56 0.21 0.29 -0.12 -0.20 -1.83 117.98 114.39 1x69 s PHE 64 Ca 0.43 1.06 -0.30 0.00 -0.05 0.00 0.00 56.93 58.07 1x69 s PHE 64 Cb -0.21 0.30 -0.09 0.00 -0.63 0.00 0.00 43.02 42.40 1x69 s PHE 64 CO 0.25 -0.50 1.29 -1.25 -0.05 0.00 0.00 175.22 174.97 1x69 s PRO 65 N -0.87 4.40 0.00 1.99 0.04 -1.26 -0.21 135.00 139.09 1x69 s PRO 65 Ca -0.09 2.05 0.30 0.00 0.04 0.00 0.00 61.00 63.29 1x69 s PRO 65 Cb -0.02 -3.19 1.64 0.00 0.04 0.00 0.00 34.50 32.97 1x69 s PRO 65 CO 0.07 -0.22 2.07 0.00 0.04 0.00 0.00 177.00 178.96 1x69 n ALA 66 N 2.40 2.53 0.10 8.56 0.00 0.73 -3.40 120.51 131.44 1x69 n ALA 66 Ca 0.05 -0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 1x69 n ALA 66 Cb 0.43 -1.48 -0.15 0.00 0.00 0.00 0.00 19.45 18.24 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 0.70 0.00 0.00 4.21 -1.91 -3.24 115.58 115.34 1x69 h ASN 67 Ca 0.00 -0.93 0.00 0.00 1.21 0.00 0.00 56.30 56.58 1x69 h ASN 67 Cb 0.13 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 1x69 h ASN 67 CO 0.00 1.64 0.00 -1.22 -1.29 0.00 0.00 177.43 176.56 1x69 n TYR 68 N -3.82 0.00 -4.17 1.19 4.02 -1.22 -4.76 117.16 108.40 1x69 n TYR 68 Ca -0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.61 1x69 n TYR 68 Cb 1.02 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.24 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 -2.00 0.49 -0.05 -0.72 -7.23 -1.22 -0.29 120.40 109.37 1x69 s VAL 69 Ca 0.18 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1x69 s VAL 69 Cb 0.08 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 35.19 1x69 s VAL 69 CO 0.14 -0.69 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.49 1x69 s GLU 70 N -3.92 0.93 0.15 4.82 2.12 0.15 -4.87 118.70 118.09 1x69 s GLU 70 Ca 0.17 -0.12 -0.31 0.00 0.36 0.00 0.00 54.97 55.07 1x69 s GLU 70 Cb 0.06 -0.96 -0.10 0.00 0.26 0.00 0.00 34.13 33.39 1x69 s GLU 70 CO -0.02 -0.11 1.67 -0.51 -0.54 0.00 0.00 175.26 175.75 1x69 s LEU 71 N 1.07 4.37 0.69 2.70 1.43 -1.26 -0.42 118.68 127.26 1x69 s LEU 71 Ca -0.08 2.68 -0.16 0.00 -1.03 0.00 0.00 54.13 55.53 1x69 s LEU 71 Cb -0.14 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.51 1x69 s LEU 71 CO -0.01 -0.90 1.20 -0.13 0.23 0.00 0.00 176.35 176.74 1x69 s ARG 72 N 1.74 2.42 -0.39 1.70 1.81 -0.25 -4.90 118.95 121.07 1x69 s ARG 72 Ca 0.74 1.75 -0.28 0.00 -1.72 0.00 0.00 55.73 56.23 1x69 s ARG 72 Cb -0.45 -1.87 0.02 0.00 -0.45 0.00 0.00 34.95 32.21 1x69 s ARG 72 CO 0.32 -1.62 1.03 -1.14 -0.68 0.00 0.00 175.30 173.22 1x69 s GLN 73 N -3.77 3.86 -0.26 3.54 -0.44 -1.26 -4.95 119.66 116.38 1x69 s GLN 73 Ca 0.75 0.71 0.01 0.00 -2.50 0.00 0.00 55.36 54.33 1x69 s GLN 73 Cb -0.29 -3.82 0.05 0.00 -1.64 0.00 0.00 33.01 27.31 1x69 s GLN 73 CO 0.42 -1.07 -0.09 0.45 0.50 0.00 0.00 175.29 175.50 1x69 s SER 74 N 1.99 4.45 1.28 6.67 0.15 -1.26 -5.12 113.70 121.87 1x69 s SER 74 Ca 0.43 -1.29 -0.17 0.00 0.70 0.00 0.00 55.95 55.63 1x69 s SER 74 Cb -0.11 -1.59 0.25 0.00 -1.71 0.00 0.00 66.02 62.87 1x69 s SER 74 CO 0.22 -0.19 0.69 0.61 1.20 0.00 0.00 173.24 175.77 1x69 n GLY 75 N 4.50 -3.40 0.25 9.45 0.00 -1.26 -4.89 105.19 109.84 1x69 n GLY 75 Ca -0.14 -1.36 0.17 0.00 0.00 0.00 0.00 46.02 44.68 1x69 n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x69 h PRO 76 N 0.00 0.00 -4.76 1.61 0.13 -2.06 -3.43 132.00 123.48 1x69 h PRO 76 Ca -0.29 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.49 1x69 h PRO 76 Cb 0.93 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.81 1x69 h PRO 76 CO 0.18 0.00 -0.76 0.45 -0.23 0.00 0.00 178.00 177.64 1x69 s SER 77 N -5.40 1.08 0.02 1.44 0.15 -1.26 -5.07 113.70 104.65 1x69 s SER 77 Ca 0.01 -0.35 -0.28 0.00 0.70 0.00 0.00 55.95 56.03 1x69 s SER 77 Cb 0.09 -0.06 -0.15 0.00 -1.71 0.00 0.00 66.02 64.19 1x69 s SER 77 CO 0.51 -0.02 1.21 0.28 1.20 0.00 0.00 173.24 176.42 1x69 h SER 78 N 5.21 -0.86 0.00 5.45 0.02 -2.00 -3.51 113.55 117.86 1x69 h SER 78 Ca -0.34 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1x69 h SER 78 Cb 1.19 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.95 1x69 h SER 78 CO 0.45 -0.51 0.00 0.61 -1.14 0.00 0.00 176.83 176.24