#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x69 n SER 2 N 0.00 -3.50 -0.31 1.61 7.64 -1.26 -4.81 113.62 112.98 1x69 n SER 2 Ca 0.00 -0.88 0.17 0.00 1.01 0.00 0.00 58.87 59.17 1x69 n SER 2 Cb 0.00 -3.45 0.35 0.00 -1.01 0.00 0.00 64.21 60.10 1x69 n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x69 h SER 3 N -1.86 0.04 -1.83 6.43 0.87 -2.15 -3.47 113.55 111.59 1x69 h SER 3 Ca -0.59 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1x69 h SER 3 Cb 1.38 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 1x69 h SER 3 CO 0.69 -0.21 0.00 0.61 -0.53 0.00 0.00 176.83 177.39 1x69 n GLY 4 N -1.37 0.54 3.24 5.77 0.00 -1.26 -5.12 105.19 106.99 1x69 n GLY 4 Ca 0.25 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 1x69 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x69 s SER 5 N -4.00 -0.42 0.17 1.61 0.01 -1.26 -5.13 113.70 104.67 1x69 s SER 5 Ca 0.00 0.78 -0.33 0.00 1.31 0.00 0.00 55.95 57.71 1x69 s SER 5 Cb 0.00 0.72 -0.16 0.00 0.21 0.00 0.00 66.02 66.80 1x69 s SER 5 CO 0.00 -0.16 1.20 -1.20 0.41 0.00 0.00 173.24 173.49 1x69 n SER 6 N 3.59 1.46 -2.99 2.44 7.64 -1.26 -4.92 113.62 119.57 1x69 n SER 6 Ca -0.19 1.14 -0.27 0.00 1.01 0.00 0.00 58.87 60.56 1x69 n SER 6 Cb 0.56 -1.22 -0.04 0.00 -1.01 0.00 0.00 64.21 62.49 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 2.09 5.52 3.70 0.23 0.00 -1.26 -5.06 105.19 110.41 1x69 n GLY 7 Ca 0.15 -2.78 -0.41 0.00 0.00 0.00 0.00 46.02 42.99 1x69 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x69 s THR 8 N -4.25 4.97 1.04 2.61 2.01 -1.26 -5.04 115.64 115.73 1x69 s THR 8 Ca 0.48 1.59 -0.21 0.00 0.31 0.00 0.00 61.69 63.86 1x69 s THR 8 Cb 0.27 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1x69 s THR 8 CO -0.13 0.16 -0.50 0.00 -0.69 0.00 0.00 174.62 173.47 1x69 n TYR 9 N 4.30 -1.48 -2.91 4.92 0.18 -1.26 -4.90 117.16 116.01 1x69 n TYR 9 Ca 0.02 0.32 -0.40 0.00 1.88 0.00 0.00 57.90 59.72 1x69 n TYR 9 Cb 0.50 -1.47 -0.05 0.00 -0.38 0.00 0.00 39.34 37.94 1x69 n TYR 9 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1x69 s ASP 10 N -1.54 7.38 0.03 9.48 1.47 -1.26 -5.06 116.67 127.16 1x69 s ASP 10 Ca 0.44 1.64 0.02 0.00 1.18 0.00 0.00 52.55 55.83 1x69 s ASP 10 Cb -0.03 -2.52 -0.04 0.00 -0.34 0.00 0.00 42.92 40.00 1x69 s ASP 10 CO 0.59 0.08 0.02 -1.83 0.68 0.00 0.00 175.17 174.72 1x69 s GLU 11 N -0.54 2.80 0.19 2.11 1.03 -1.26 -5.06 118.70 117.97 1x69 s GLU 11 Ca 0.40 -0.64 -0.30 0.00 0.03 0.00 0.00 54.97 54.45 1x69 s GLU 11 Cb -0.23 -2.68 -0.17 0.00 -0.80 0.00 0.00 34.13 30.26 1x69 s GLU 11 CO 0.26 0.60 0.76 0.98 -1.33 0.00 0.00 175.26 176.54 1x69 n TYR 12 N 1.08 0.23 -3.78 4.83 9.36 -1.26 -4.98 117.16 122.64 1x69 n TYR 12 Ca -0.13 0.89 -0.14 0.00 3.32 0.00 0.00 57.90 61.84 1x69 n TYR 12 Cb 0.52 -2.07 -0.15 0.00 -0.63 0.00 0.00 39.34 37.01 1x69 n TYR 12 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1x69 s GLU 13 N -0.94 0.05 0.11 2.98 -6.30 -1.26 -5.05 118.70 108.29 1x69 s GLU 13 Ca 0.67 0.25 0.00 0.00 -2.50 0.00 0.00 54.97 53.39 1x69 s GLU 13 Cb -0.91 -0.15 0.00 0.00 0.00 0.00 0.00 34.13 33.07 1x69 s GLU 13 CO 0.57 -0.13 0.00 -1.71 0.02 0.00 0.00 175.26 174.00 1x69 n ASN 14 N 3.93 0.83 -3.58 -1.70 4.05 -1.26 -5.12 115.26 112.40 1x69 n ASN 14 Ca -0.24 0.16 -0.15 0.00 0.45 0.00 0.00 54.58 54.81 1x69 n ASN 14 Cb 0.53 -0.21 -0.06 0.00 1.23 0.00 0.00 39.78 41.26 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 -5.76 -0.64 -0.08 1.20 -4.77 -1.26 -5.02 116.67 100.34 1x69 s ASP 15 Ca 0.00 1.00 0.06 0.00 -3.30 0.00 0.00 52.55 50.32 1x69 s ASP 15 Cb 0.00 0.94 0.33 0.00 -1.09 0.00 0.00 42.92 43.10 1x69 s ASP 15 CO 0.00 -0.38 1.05 0.18 0.70 0.00 0.00 175.17 176.72 1x69 n LEU 16 N 1.78 2.76 0.00 2.11 4.77 -1.26 -4.82 117.00 122.34 1x69 n LEU 16 Ca -0.15 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 1x69 n LEU 16 Cb 0.56 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1x69 n LEU 16 CO 0.12 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1x69 n GLY 17 N 0.38 1.34 3.74 -0.72 0.00 -1.26 -2.13 105.19 106.54 1x69 n GLY 17 Ca 0.11 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 4.35 0.07 -0.61 1.01 -1.26 -4.79 121.20 119.97 1x69 s ILE 18 Ca 0.00 1.99 0.09 0.00 0.00 0.00 0.00 60.65 62.73 1x69 s ILE 18 Cb 0.00 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1x69 s ILE 18 CO 0.00 0.42 -0.25 0.42 0.00 0.00 0.00 174.94 175.53 1x69 s THR 19 N -0.58 2.03 0.12 2.92 -4.23 -1.26 -2.57 115.64 112.06 1x69 s THR 19 Ca 0.42 -1.45 -0.07 0.00 -1.18 0.00 0.00 61.69 59.41 1x69 s THR 19 Cb -0.24 -1.76 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 1x69 s THR 19 CO 0.29 0.23 0.19 0.00 -0.54 0.00 0.00 174.62 174.80 1x69 s ALA 20 N -0.89 0.06 -0.07 3.99 0.00 -1.12 -1.90 121.76 121.83 1x69 s ALA 20 Ca 0.11 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.24 1x69 s ALA 20 Cb -0.10 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.68 1x69 s ALA 20 CO 0.03 -0.55 -0.21 0.54 0.00 0.00 0.00 175.76 175.57 1x69 s VAL 21 N -3.93 1.81 0.40 0.00 0.11 0.81 -1.67 120.40 117.92 1x69 s VAL 21 Ca 0.12 -0.91 -0.26 0.00 -2.93 0.00 0.00 61.98 58.01 1x69 s VAL 21 Cb 0.05 -1.55 -0.08 0.00 -1.53 0.00 0.00 36.38 33.26 1x69 s VAL 21 CO -0.05 0.51 1.21 0.00 -3.33 0.00 0.00 175.10 173.43 1x69 s ALA 22 N 0.11 3.19 -0.18 1.54 0.00 -1.15 0.31 121.76 125.58 1x69 s ALA 22 Ca -0.09 1.05 0.09 0.00 0.00 0.00 0.00 51.96 53.01 1x69 s ALA 22 Cb -0.15 -3.41 -0.18 0.00 0.00 0.00 0.00 23.12 19.39 1x69 s ALA 22 CO 0.05 -0.61 -0.05 1.28 0.00 0.00 0.00 175.76 176.43 1x69 n LEU 23 N 0.12 1.29 -4.17 0.00 4.77 -0.75 0.26 117.00 118.53 1x69 n LEU 23 Ca 0.04 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 1x69 n LEU 23 Cb 0.45 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 1x69 n LEU 23 CO 0.52 0.60 -0.41 -0.31 -1.33 0.00 0.00 177.39 176.47 1x69 s TYR 24 N -2.41 0.99 0.42 -1.77 1.51 -1.24 -4.58 117.35 110.26 1x69 s TYR 24 Ca -0.17 -0.71 -0.26 0.00 -1.01 0.00 0.00 57.07 54.92 1x69 s TYR 24 Cb 0.06 -0.55 -0.10 0.00 -0.11 0.00 0.00 41.96 41.26 1x69 s TYR 24 CO 0.60 -0.04 1.41 -0.40 -1.11 0.00 0.00 175.55 176.01 1x69 n ASP 25 N 0.47 3.27 -3.73 2.29 5.68 -1.26 -4.27 116.55 119.00 1x69 n ASP 25 Ca -0.15 1.16 -0.17 0.00 -0.50 0.00 0.00 54.79 55.13 1x69 n ASP 25 Cb 0.58 -1.58 -0.16 0.00 -1.14 0.00 0.00 41.12 38.82 1x69 n ASP 25 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1x69 s TYR 26 N -1.16 0.01 -0.39 2.11 5.04 -0.89 -4.95 117.35 117.11 1x69 s TYR 26 Ca 0.58 0.24 0.02 0.00 -2.44 0.00 0.00 57.07 55.47 1x69 s TYR 26 Cb -0.48 -0.31 0.11 0.00 0.35 0.00 0.00 41.96 41.64 1x69 s TYR 26 CO 0.60 -0.14 0.13 1.14 -1.34 0.00 0.00 175.55 175.94 1x69 s GLN 27 N 1.52 1.72 0.04 4.97 -2.07 -1.26 -1.96 119.66 122.62 1x69 s GLN 27 Ca -0.04 -1.97 -0.24 0.00 -1.82 0.00 0.00 55.36 51.29 1x69 s GLN 27 Cb -0.12 -3.34 -0.13 0.00 -1.09 0.00 0.00 33.01 28.32 1x69 s GLN 27 CO -0.03 -1.00 0.60 0.00 -1.32 0.00 0.00 175.29 173.53 1x69 n ALA 28 N 4.19 -2.50 1.01 2.60 0.00 -1.25 -4.83 120.51 119.72 1x69 n ALA 28 Ca 0.03 0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.95 1x69 n ALA 28 Cb 0.41 -1.15 0.16 0.00 0.00 0.00 0.00 19.45 18.87 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 0.67 3.83 -2.38 0.00 0.00 -1.26 -4.95 120.51 116.42 1x69 n ALA 29 Ca 0.13 -0.42 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 1x69 n ALA 29 Cb 0.09 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.97 1.58 0.00 0.00 0.00 -1.26 -5.03 107.32 99.64 1x69 s GLY 30 Ca 0.11 -1.69 0.26 0.00 0.00 0.00 0.00 44.72 43.39 1x69 s GLY 30 CO 0.73 -1.30 1.83 1.22 0.00 0.00 0.00 173.10 175.58 1x69 n ASP 31 N -0.70 0.00 0.01 1.64 9.92 -1.26 -2.98 116.55 123.17 1x69 n ASP 31 Ca 0.03 0.37 -0.04 0.00 -0.53 0.00 0.00 54.79 54.62 1x69 n ASP 31 Cb 0.64 -0.45 -0.11 0.00 -0.64 0.00 0.00 41.12 40.57 1x69 n ASP 31 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1x69 n ASP 32 N -1.45 0.87 -4.62 -2.24 9.92 -1.26 -4.93 116.55 112.83 1x69 n ASP 32 Ca 0.08 0.39 -0.25 0.00 -0.53 0.00 0.00 54.79 54.48 1x69 n ASP 32 Cb 0.28 0.07 0.11 0.00 -0.64 0.00 0.00 41.12 40.94 1x69 n ASP 32 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1x69 s GLU 33 N -2.79 1.60 0.07 -1.24 8.01 -1.16 -1.87 118.70 121.32 1x69 s GLU 33 Ca -0.04 -0.83 0.07 0.00 0.01 0.00 0.00 54.97 54.18 1x69 s GLU 33 Cb 0.08 -2.22 -0.03 0.00 -4.31 0.00 0.00 34.13 27.65 1x69 s GLU 33 CO 0.82 -1.56 -0.18 0.96 0.01 0.00 0.00 175.26 175.30 1x69 s ILE 34 N -3.28 1.44 -0.12 -1.63 -4.36 -1.15 -4.68 121.20 107.42 1x69 s ILE 34 Ca 0.66 -1.28 -0.03 0.00 -0.26 0.00 0.00 60.65 59.74 1x69 s ILE 34 Cb -0.06 -1.31 -0.03 0.00 1.25 0.00 0.00 42.46 42.31 1x69 s ILE 34 CO 0.46 -0.01 -0.03 -0.94 0.24 0.00 0.00 174.94 174.66 1x69 s SER 35 N -1.51 4.94 0.01 4.36 1.04 -1.26 -3.89 113.70 117.38 1x69 s SER 35 Ca 0.04 -0.03 -0.07 0.00 0.48 0.00 0.00 55.95 56.37 1x69 s SER 35 Cb -0.09 -1.60 -0.00 0.00 0.10 0.00 0.00 66.02 64.42 1x69 s SER 35 CO 0.03 0.26 0.13 0.72 0.98 0.00 0.00 173.24 175.35 1x69 s PHE 36 N -0.17 0.08 0.57 5.02 -0.12 -0.83 -4.93 117.98 117.60 1x69 s PHE 36 Ca 0.04 -0.22 -0.07 0.00 -0.05 0.00 0.00 56.93 56.62 1x69 s PHE 36 Cb -0.13 -0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.18 1x69 s PHE 36 CO 0.02 -0.31 0.91 -0.51 -0.05 0.00 0.00 175.22 175.28 1x69 s ASP 37 N -1.57 5.91 0.27 1.98 1.01 -1.26 -2.10 116.67 120.91 1x69 s ASP 37 Ca -0.12 0.96 -0.29 0.00 0.71 0.00 0.00 52.55 53.81 1x69 s ASP 37 Cb -0.06 -2.05 -0.10 0.00 1.01 0.00 0.00 42.92 41.72 1x69 s ASP 37 CO 0.00 -0.90 1.25 -2.16 0.21 0.00 0.00 175.17 173.57 1x69 s PRO 38 N -4.99 4.44 -0.39 8.23 0.04 -1.26 -3.32 135.00 137.75 1x69 s PRO 38 Ca 0.52 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.61 1x69 s PRO 38 Cb -0.11 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1x69 s PRO 38 CO 0.47 -0.11 0.15 -3.47 0.04 0.00 0.00 177.00 174.09 1x69 n ASP 39 N 1.51 -2.68 -4.99 6.66 2.03 0.14 -4.96 116.55 114.26 1x69 n ASP 39 Ca 0.02 -0.07 -0.20 0.00 0.52 0.00 0.00 54.79 55.05 1x69 n ASP 39 Cb 0.43 -1.62 0.03 0.00 -0.72 0.00 0.00 41.12 39.24 1x69 n ASP 39 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1x69 s ASP 40 N -2.93 5.13 -0.10 1.67 1.01 -1.21 -4.86 116.67 115.39 1x69 s ASP 40 Ca 0.08 -0.82 0.04 0.00 0.71 0.00 0.00 52.55 52.56 1x69 s ASP 40 Cb -0.03 0.03 -0.00 0.00 1.01 0.00 0.00 42.92 43.93 1x69 s ASP 40 CO 0.09 -1.11 -0.24 -0.63 0.21 0.00 0.00 175.17 173.49 1x69 s ILE 41 N -2.60 2.08 0.06 0.77 -1.09 -1.26 -2.92 121.20 116.25 1x69 s ILE 41 Ca 0.55 -1.02 0.09 0.00 -2.23 0.00 0.00 60.65 58.04 1x69 s ILE 41 Cb -0.06 -1.79 -0.03 0.00 -1.58 0.00 0.00 42.46 39.00 1x69 s ILE 41 CO 0.34 0.56 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.74 1x69 s ILE 42 N 0.30 1.91 0.22 2.92 1.09 -0.67 -4.76 121.20 122.21 1x69 s ILE 42 Ca -0.18 -1.37 0.02 0.00 -1.10 0.00 0.00 60.65 58.02 1x69 s ILE 42 Cb -0.18 -1.66 -0.05 0.00 -1.06 0.00 0.00 42.46 39.51 1x69 s ILE 42 CO 0.09 0.22 0.03 0.42 -0.10 0.00 0.00 174.94 175.59 1x69 s THR 43 N -0.87 0.77 -1.20 2.92 -4.23 -1.23 -2.79 115.64 109.02 1x69 s THR 43 Ca 0.10 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.54 1x69 s THR 43 Cb -0.09 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.41 1x69 s THR 43 CO 0.03 -0.29 1.04 0.59 -0.54 0.00 0.00 174.62 175.44 1x69 n ASN 44 N -0.37 -5.01 -4.75 3.99 5.03 -0.90 -1.44 115.26 111.82 1x69 n ASN 44 Ca -0.04 -0.51 -0.40 0.00 0.87 0.00 0.00 54.58 54.50 1x69 n ASN 44 Cb 0.64 -4.65 -0.06 0.00 -1.02 0.00 0.00 39.78 34.70 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 -3.30 4.16 -0.07 2.41 1.01 -1.06 -3.80 121.20 120.55 1x69 s ILE 45 Ca 0.40 2.08 0.05 0.00 0.00 0.00 0.00 60.65 63.18 1x69 s ILE 45 Cb -0.18 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 1x69 s ILE 45 CO 0.66 0.46 -0.23 -1.61 0.00 0.00 0.00 174.94 174.22 1x69 s GLU 46 N -0.92 2.61 -0.60 2.79 8.01 0.24 -4.26 118.70 126.57 1x69 s GLU 46 Ca 0.42 -0.84 -0.21 0.00 0.01 0.00 0.00 54.97 54.35 1x69 s GLU 46 Cb -0.25 -2.11 0.08 0.00 -4.31 0.00 0.00 34.13 27.53 1x69 s GLU 46 CO 0.32 0.28 0.82 -1.64 0.01 0.00 0.00 175.26 175.04 1x69 s MET 47 N 0.07 3.11 -0.14 1.61 -1.94 -1.26 -2.08 119.30 118.66 1x69 s MET 47 Ca -0.10 -0.96 -0.15 0.00 -1.71 0.00 0.00 55.69 52.77 1x69 s MET 47 Cb -0.15 -4.21 -0.05 0.00 2.01 0.00 0.00 34.83 32.43 1x69 s MET 47 CO 0.05 -1.60 -0.29 -0.89 -0.01 0.00 0.00 175.02 172.29 1x69 n ILE 48 N 5.77 1.26 -3.71 2.53 5.41 -1.26 -5.05 119.36 124.30 1x69 n ILE 48 Ca -0.06 0.20 -0.23 0.00 1.00 0.00 0.00 62.75 63.66 1x69 n ILE 48 Cb 0.44 -2.20 -0.02 0.00 -0.71 0.00 0.00 39.64 37.16 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 -5.62 4.81 -0.24 4.38 1.01 -1.11 -5.01 116.67 114.90 1x69 s ASP 49 Ca -0.24 -1.00 0.01 0.00 0.71 0.00 0.00 52.55 52.03 1x69 s ASP 49 Cb 0.03 -0.07 0.30 0.00 1.01 0.00 0.00 42.92 44.19 1x69 s ASP 49 CO 0.35 -0.89 1.55 0.47 0.21 0.00 0.00 175.17 176.86 1x69 n ASP 50 N -1.67 3.98 0.00 0.27 8.00 -1.26 -4.11 116.55 121.76 1x69 n ASP 50 Ca 0.02 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.69 1x69 n ASP 50 Cb 0.63 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1x69 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x69 n GLY 51 N -0.16 0.13 3.39 0.44 0.00 -1.26 -5.05 105.19 102.68 1x69 n GLY 51 Ca 0.29 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.91 2.49 0.29 1.61 0.52 -1.26 -0.58 118.94 121.11 1x69 s TRP 52 Ca 0.00 -0.31 0.03 0.00 0.02 0.00 0.00 56.10 55.84 1x69 s TRP 52 Cb 0.00 -1.53 -0.06 0.00 -1.15 0.00 0.00 33.47 30.74 1x69 s TRP 52 CO 0.00 0.10 0.06 -1.58 0.02 0.00 0.00 176.95 175.55 1x69 s TRP 53 N -0.72 1.78 -0.12 -1.98 0.51 0.68 -2.74 118.94 116.36 1x69 s TRP 53 Ca 0.11 -1.03 0.00 0.00 -2.12 0.00 0.00 56.10 53.07 1x69 s TRP 53 Cb -0.10 -1.12 0.02 0.00 -0.81 0.00 0.00 33.47 31.46 1x69 s TRP 53 CO 0.01 -0.11 -0.11 1.03 -0.51 0.00 0.00 176.95 177.26 1x69 s ARG 54 N -3.94 1.82 0.12 4.98 0.52 -0.88 -0.83 118.95 120.75 1x69 s ARG 54 Ca 0.36 -0.38 -0.07 0.00 -0.52 0.00 0.00 55.73 55.13 1x69 s ARG 54 Cb 0.08 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.79 1x69 s ARG 54 CO 0.14 -0.22 0.18 0.20 0.02 0.00 0.00 175.30 175.63 1x69 s GLY 55 N 1.49 0.46 -0.53 -3.53 0.00 -1.23 0.82 107.32 104.80 1x69 s GLY 55 Ca 0.02 -0.95 -0.20 0.00 0.00 0.00 0.00 44.72 43.59 1x69 s GLY 55 CO -0.07 -0.98 0.71 0.14 0.00 0.00 0.00 173.10 172.89 1x69 s VAL 56 N -3.95 4.75 -0.11 1.40 1.01 -0.52 -3.63 120.40 119.35 1x69 s VAL 56 Ca 0.14 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1x69 s VAL 56 Cb 0.05 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1x69 s VAL 56 CO -0.04 -0.91 -0.16 0.00 0.00 0.00 0.00 175.10 173.99 1x69 n LYS 58 N 3.39 -2.48 -2.47 0.00 5.02 -1.26 0.49 118.16 120.85 1x69 n LYS 58 Ca -0.18 0.18 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1x69 n LYS 58 Cb 0.53 -4.74 0.00 0.00 -0.02 0.00 0.00 35.03 30.80 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 -0.77 0.83 3.07 0.72 0.00 -1.26 -5.07 105.19 102.71 1x69 n GLY 59 Ca 0.01 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.89 0.21 -0.30 1.61 0.52 0.18 -5.13 118.95 111.15 1x69 s ARG 60 Ca 0.02 0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 55.90 1x69 s ARG 60 Cb -0.01 -0.04 0.05 0.00 0.52 0.00 0.00 34.95 35.47 1x69 s ARG 60 CO 0.03 -0.22 -0.00 -0.47 0.02 0.00 0.00 175.30 174.65 1x69 s TYR 61 N 1.90 3.25 0.15 -0.53 5.04 -1.26 -0.14 117.35 125.76 1x69 s TYR 61 Ca -0.04 -1.82 -0.04 0.00 -2.44 0.00 0.00 57.07 52.73 1x69 s TYR 61 Cb -0.11 -2.11 0.02 0.00 0.35 0.00 0.00 41.96 40.11 1x69 s TYR 61 CO -0.09 -0.79 0.28 0.41 -1.34 0.00 0.00 175.55 174.01 1x69 n GLY 62 N 4.64 1.99 3.76 8.97 0.00 -1.24 -4.93 105.19 118.38 1x69 n GLY 62 Ca -0.13 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 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 4.57 -0.16 0.99 1.43 -0.78 -3.56 118.68 121.16 1x69 s LEU 63 Ca 0.08 1.87 -0.19 0.00 -1.03 0.00 0.00 54.13 54.86 1x69 s LEU 63 Cb -0.01 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.60 1x69 s LEU 63 CO 0.06 0.12 0.51 0.72 0.23 0.00 0.00 176.35 177.98 1x69 s PHE 64 N -1.28 -0.53 0.13 0.29 -0.71 -0.01 -2.94 117.98 112.94 1x69 s PHE 64 Ca 0.42 1.23 -0.31 0.00 -1.04 0.00 0.00 56.93 57.23 1x69 s PHE 64 Cb -0.24 0.20 -0.08 0.00 -1.21 0.00 0.00 43.02 41.70 1x69 s PHE 64 CO 0.29 -0.31 1.35 -1.25 -1.34 0.00 0.00 175.22 173.95 1x69 s PRO 65 N -0.04 4.35 0.00 1.99 0.04 -1.26 -0.23 135.00 139.85 1x69 s PRO 65 Ca -0.03 2.03 0.22 0.00 0.04 0.00 0.00 61.00 63.27 1x69 s PRO 65 Cb -0.03 -3.25 1.18 0.00 0.04 0.00 0.00 34.50 32.44 1x69 s PRO 65 CO 0.02 -0.37 1.72 0.00 0.04 0.00 0.00 177.00 178.41 1x69 n ALA 66 N 3.64 2.19 0.04 8.56 0.00 0.26 -2.75 120.51 132.44 1x69 n ALA 66 Ca 0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 1x69 n ALA 66 Cb 0.43 -1.36 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 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 0.00 -0.22 0.00 2.35 -1.91 -3.23 115.58 112.57 1x69 h ASN 67 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1x69 h ASN 67 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1x69 h ASN 67 CO 0.00 0.99 0.00 -1.22 -1.65 0.00 0.00 177.43 175.55 1x69 n TYR 68 N -3.26 0.29 -4.14 1.19 4.02 -1.11 -4.86 117.16 109.29 1x69 n TYR 68 Ca -0.05 -0.15 -0.11 0.00 -0.01 0.00 0.00 57.90 57.59 1x69 n TYR 68 Cb 0.97 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 40.19 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 -1.71 0.03 -0.04 -0.72 -7.23 -1.22 -1.82 120.40 107.69 1x69 s VAL 69 Ca 0.17 -1.85 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1x69 s VAL 69 Cb 0.09 -2.30 0.01 0.00 0.56 0.00 0.00 36.38 34.74 1x69 s VAL 69 CO 0.12 -0.13 -0.10 -0.70 -0.31 0.00 0.00 175.10 173.98 1x69 s GLU 70 N -4.10 1.28 -0.01 4.82 2.12 0.15 -4.84 118.70 118.12 1x69 s GLU 70 Ca 0.32 -0.34 -0.30 0.00 0.36 0.00 0.00 54.97 55.01 1x69 s GLU 70 Cb 0.06 -1.13 -0.04 0.00 0.26 0.00 0.00 34.13 33.27 1x69 s GLU 70 CO 0.08 0.06 1.18 -0.51 -0.54 0.00 0.00 175.26 175.54 1x69 s LEU 71 N 0.47 4.32 -0.09 2.70 1.43 -1.26 -0.14 118.68 126.11 1x69 s LEU 71 Ca -0.09 1.87 -0.14 0.00 -1.03 0.00 0.00 54.13 54.75 1x69 s LEU 71 Cb -0.12 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1x69 s LEU 71 CO 0.02 -0.52 0.34 -0.13 0.23 0.00 0.00 176.35 176.29 1x69 s ARG 72 N 1.71 4.04 0.97 1.70 0.52 -0.80 -4.94 118.95 122.17 1x69 s ARG 72 Ca 0.57 0.24 -0.12 0.00 -0.52 0.00 0.00 55.73 55.89 1x69 s ARG 72 Cb -0.26 -3.32 0.17 0.00 0.52 0.00 0.00 34.95 32.06 1x69 s ARG 72 CO 0.25 0.46 1.09 -1.14 0.02 0.00 0.00 175.30 175.98 1x69 s GLN 73 N -0.26 0.62 -0.02 3.54 0.74 -1.26 -4.68 119.66 118.34 1x69 s GLN 73 Ca 0.20 0.59 -0.05 0.00 0.05 0.00 0.00 55.36 56.15 1x69 s GLN 73 Cb -0.15 -1.75 -0.02 0.00 1.10 0.00 0.00 33.01 32.19 1x69 s GLN 73 CO 0.08 -2.62 -0.11 0.45 -0.55 0.00 0.00 175.29 172.54 1x69 n SER 74 N -4.11 1.18 -2.58 6.67 2.88 -1.26 -5.06 113.62 111.34 1x69 n SER 74 Ca 0.06 0.18 -0.06 0.00 -1.33 0.00 0.00 58.87 57.71 1x69 n SER 74 Cb 0.57 -0.41 0.03 0.00 -0.75 0.00 0.00 64.21 63.64 1x69 n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x69 n GLY 75 N 2.73 -0.62 0.03 0.46 0.00 -1.26 -4.91 105.19 101.63 1x69 n GLY 75 Ca -0.08 0.26 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1x69 n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x69 n PRO 76 N -2.17 0.05 -3.09 1.61 -0.04 -1.26 -4.33 135.00 125.77 1x69 n PRO 76 Ca -0.03 0.30 -0.45 0.00 -0.04 0.00 0.00 63.50 63.28 1x69 n PRO 76 Cb 0.55 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1x69 n PRO 76 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x69 s SER 77 N -3.31 6.81 -0.26 3.54 0.01 -1.26 -5.00 113.70 114.23 1x69 s SER 77 Ca 0.06 -2.53 -0.08 0.00 1.31 0.00 0.00 55.95 54.71 1x69 s SER 77 Cb 0.09 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1x69 s SER 77 CO 0.29 -0.79 0.08 -0.94 0.41 0.00 0.00 173.24 172.29 1x69 s SER 78 N 2.85 5.18 0.00 2.44 1.04 -1.26 -5.25 113.70 118.70 1x69 s SER 78 Ca 0.30 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1x69 s SER 78 Cb -0.07 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.12 1x69 s SER 78 CO -0.08 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.70