#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 0.29 0.42 1.61 4.64 -2.09 -3.36 113.55 115.06 1x69 h SER 2 Ca 0.00 -0.76 -0.02 0.00 -0.47 0.00 0.00 61.79 60.54 1x69 h SER 2 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1x69 h SER 2 CO 0.00 1.01 -0.20 0.28 -0.87 0.00 0.00 176.83 177.04 1x69 h SER 3 N -0.40 -0.48 -1.59 4.97 0.02 -2.09 -3.50 113.55 110.48 1x69 h SER 3 Ca -0.04 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1x69 h SER 3 Cb 1.05 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1x69 h SER 3 CO 0.06 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 1x69 n GLY 4 N -0.34 -0.34 3.56 -3.77 0.00 -1.26 -5.14 105.19 97.90 1x69 n GLY 4 Ca -0.10 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.38 -0.46 -0.30 1.61 1.04 -1.26 -5.01 113.70 108.94 1x69 s SER 5 Ca 0.00 0.50 0.12 0.00 0.48 0.00 0.00 55.95 57.05 1x69 s SER 5 Cb 0.00 0.38 0.47 0.00 0.10 0.00 0.00 66.02 66.97 1x69 s SER 5 CO 0.00 -0.43 1.14 -1.54 0.98 0.00 0.00 173.24 173.38 1x69 n SER 6 N 0.77 3.62 0.00 7.02 3.41 -1.26 -5.05 113.62 122.13 1x69 n SER 6 Ca -0.13 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 1x69 n SER 6 Cb 0.58 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1x69 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x69 n GLY 7 N -0.60 -0.54 3.48 5.00 0.00 -1.26 -5.09 105.19 106.18 1x69 n GLY 7 Ca 0.29 0.16 -0.49 0.00 0.00 0.00 0.00 46.02 45.99 1x69 n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x69 n THR 8 N 0.00 0.23 -3.99 2.61 -1.04 -1.26 -4.93 114.28 105.89 1x69 n THR 8 Ca 0.00 -0.31 -0.35 0.00 -2.04 0.00 0.00 64.05 61.35 1x69 n THR 8 Cb 0.00 -1.87 -0.06 0.00 -1.82 0.00 0.00 70.33 66.57 1x69 n THR 8 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1x69 s TYR 9 N 7.55 3.48 -0.23 -1.42 5.04 -1.26 -5.05 117.35 125.46 1x69 s TYR 9 Ca 1.07 0.41 -0.24 0.00 -2.44 0.00 0.00 57.07 55.87 1x69 s TYR 9 Cb -0.73 -1.87 -0.01 0.00 0.35 0.00 0.00 41.96 39.70 1x69 s TYR 9 CO 0.46 0.66 0.78 -0.51 -1.34 0.00 0.00 175.55 175.59 1x69 s ASP 10 N -1.27 6.79 -0.14 4.32 1.01 -1.26 -5.04 116.67 121.08 1x69 s ASP 10 Ca 0.18 0.98 -0.01 0.00 0.71 0.00 0.00 52.55 54.40 1x69 s ASP 10 Cb -0.12 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1x69 s ASP 10 CO 0.08 -0.46 -0.10 -0.70 0.21 0.00 0.00 175.17 174.21 1x69 s GLU 11 N 2.62 3.46 0.03 8.23 2.12 -1.26 -5.03 118.70 128.87 1x69 s GLU 11 Ca 0.33 -0.62 -0.05 0.00 0.36 0.00 0.00 54.97 54.99 1x69 s GLU 11 Cb -0.15 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.50 1x69 s GLU 11 CO 0.08 0.24 0.80 0.66 -0.54 0.00 0.00 175.26 176.51 1x69 n TYR 12 N 3.47 -0.08 -2.98 5.30 4.01 -1.26 -4.83 117.16 120.79 1x69 n TYR 12 Ca -0.18 0.21 -0.12 0.00 -0.16 0.00 0.00 57.90 57.66 1x69 n TYR 12 Cb 0.53 -0.40 0.04 0.00 -0.31 0.00 0.00 39.34 39.20 1x69 n TYR 12 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1x69 n GLU 13 N -3.23 -4.00 -3.80 -0.72 2.13 -1.26 -5.00 120.64 104.76 1x69 n GLU 13 Ca 0.00 0.44 -0.34 0.00 0.66 0.00 0.00 57.16 57.93 1x69 n GLU 13 Cb 0.04 -4.29 -0.11 0.00 0.27 0.00 0.00 31.44 27.36 1x69 n GLU 13 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1x69 s ASN 14 N -3.35 5.01 0.01 4.31 2.47 -1.26 -5.07 114.94 117.06 1x69 s ASN 14 Ca 0.21 -3.12 -0.35 0.00 0.42 0.00 0.00 52.86 50.02 1x69 s ASN 14 Cb -0.09 -1.78 -0.14 0.00 -1.45 0.00 0.00 41.25 37.79 1x69 s ASN 14 CO 0.39 -0.27 1.64 -0.90 -3.72 0.00 0.00 177.10 174.23 1x69 n ASP 15 N 3.06 2.79 0.14 -4.21 5.68 -1.26 -4.86 116.55 117.90 1x69 n ASP 15 Ca 0.10 1.06 0.01 0.00 -0.50 0.00 0.00 54.79 55.46 1x69 n ASP 15 Cb 0.36 -1.32 0.14 0.00 -1.14 0.00 0.00 41.12 39.16 1x69 n ASP 15 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1x69 h LEU 16 N 6.78 0.00 0.00 -2.12 4.07 -1.98 -3.43 115.31 118.62 1x69 h LEU 16 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1x69 h LEU 16 Cb 1.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.03 1x69 h LEU 16 CO 0.89 0.57 0.00 0.61 -1.08 0.00 0.00 178.44 179.43 1x69 n GLY 17 N 0.70 4.16 3.77 0.83 0.00 -1.26 0.36 105.19 113.74 1x69 n GLY 17 Ca 0.00 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 4.97 0.08 -0.61 1.01 -1.26 -4.85 121.20 120.54 1x69 s ILE 18 Ca 0.00 1.09 0.10 0.00 0.00 0.00 0.00 60.65 61.84 1x69 s ILE 18 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1x69 s ILE 18 CO 0.00 0.45 -0.25 0.42 0.00 0.00 0.00 174.94 175.56 1x69 s THR 19 N -0.31 2.08 0.09 2.92 -4.23 -1.26 -2.19 115.64 112.74 1x69 s THR 19 Ca 0.28 -1.52 -0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1x69 s THR 19 Cb -0.17 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 1x69 s THR 19 CO 0.15 0.20 0.09 0.00 -0.54 0.00 0.00 174.62 174.52 1x69 s ALA 20 N -0.94 0.29 -0.13 3.99 0.00 -0.88 -1.60 121.76 122.49 1x69 s ALA 20 Ca 0.11 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1x69 s ALA 20 Cb -0.10 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1x69 s ALA 20 CO 0.04 -0.47 -0.19 0.54 0.00 0.00 0.00 175.76 175.68 1x69 s VAL 21 N -3.93 1.84 0.56 0.00 0.11 0.54 -1.31 120.40 118.21 1x69 s VAL 21 Ca 0.11 -0.84 -0.21 0.00 -2.93 0.00 0.00 61.98 58.11 1x69 s VAL 21 Cb 0.06 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.22 1x69 s VAL 21 CO -0.07 0.51 1.29 0.00 -3.33 0.00 0.00 175.10 173.50 1x69 s ALA 22 N 0.95 2.72 -0.16 1.54 0.00 -0.99 -0.58 121.76 125.24 1x69 s ALA 22 Ca -0.05 1.19 0.06 0.00 0.00 0.00 0.00 51.96 53.16 1x69 s ALA 22 Cb -0.15 -3.51 -0.13 0.00 0.00 0.00 0.00 23.12 19.32 1x69 s ALA 22 CO -0.03 -1.26 -0.07 1.28 0.00 0.00 0.00 175.76 175.68 1x69 n LEU 23 N -1.19 1.73 -4.15 0.00 4.77 0.59 -0.62 117.00 118.12 1x69 n LEU 23 Ca 0.11 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 1x69 n LEU 23 Cb 0.47 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 1x69 n LEU 23 CO 0.49 0.60 -0.39 -0.31 -1.33 0.00 0.00 177.39 176.45 1x69 s TYR 24 N -2.34 0.84 0.34 -1.77 1.51 -1.22 -4.43 117.35 110.29 1x69 s TYR 24 Ca -0.16 -0.86 -0.28 0.00 -1.01 0.00 0.00 57.07 54.76 1x69 s TYR 24 Cb 0.05 -0.49 -0.10 0.00 -0.11 0.00 0.00 41.96 41.31 1x69 s TYR 24 CO 0.46 -0.15 1.27 0.16 -1.11 0.00 0.00 175.55 176.18 1x69 s ASP 25 N -2.82 6.72 0.08 2.29 -4.77 -1.26 -4.24 116.67 112.68 1x69 s ASP 25 Ca 0.08 2.61 0.04 0.00 -3.30 0.00 0.00 52.55 51.98 1x69 s ASP 25 Cb 0.03 -2.64 -0.03 0.00 -1.09 0.00 0.00 42.92 39.19 1x69 s ASP 25 CO -0.04 -0.56 -0.11 -0.47 0.70 0.00 0.00 175.17 174.69 1x69 s TYR 26 N -1.19 1.06 -0.33 2.11 6.14 -1.02 -4.95 117.35 119.16 1x69 s TYR 26 Ca 0.50 -0.57 -0.00 0.00 0.64 0.00 0.00 57.07 57.64 1x69 s TYR 26 Cb -0.38 -0.59 0.11 0.00 0.42 0.00 0.00 41.96 41.52 1x69 s TYR 26 CO 0.50 0.01 0.13 -0.65 0.64 0.00 0.00 175.55 176.17 1x69 s GLN 27 N -2.31 0.76 -0.40 4.97 -1.52 -1.26 -3.46 119.66 116.45 1x69 s GLN 27 Ca 0.01 -1.20 -0.35 0.00 -1.95 0.00 0.00 55.36 51.87 1x69 s GLN 27 Cb -0.06 -1.96 -0.15 0.00 -0.22 0.00 0.00 33.01 30.62 1x69 s GLN 27 CO 0.01 -1.03 1.62 0.00 -0.25 0.00 0.00 175.29 175.64 1x69 n ALA 28 N 4.62 -0.05 -0.31 6.09 0.00 -1.22 -4.77 120.51 124.87 1x69 n ALA 28 Ca 0.00 0.20 0.05 0.00 0.00 0.00 0.00 53.44 53.69 1x69 n ALA 28 Cb 0.41 -1.63 0.21 0.00 0.00 0.00 0.00 19.45 18.43 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 6.56 1.30 0.00 0.00 0.00 -1.89 -3.46 119.26 121.77 1x69 h ALA 29 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1x69 h ALA 29 Cb 1.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1x69 h ALA 29 CO 0.85 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.58 1x69 n GLY 30 N -1.33 0.91 2.70 0.00 0.00 -1.26 -5.04 105.19 101.18 1x69 n GLY 30 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1x69 n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x69 n ASP 31 N 0.00 4.86 -2.06 1.61 9.92 -1.26 -4.33 116.55 125.29 1x69 n ASP 31 Ca 0.00 -2.65 -0.17 0.00 -0.53 0.00 0.00 54.79 51.45 1x69 n ASP 31 Cb 0.00 -1.40 -0.03 0.00 -0.64 0.00 0.00 41.12 39.04 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 5.51 -4.72 -4.93 -2.24 9.92 -1.26 -4.76 116.55 114.08 1x69 n ASP 32 Ca 0.56 0.21 -0.25 0.00 -0.53 0.00 0.00 54.79 54.79 1x69 n ASP 32 Cb 0.31 -4.07 0.02 0.00 -0.64 0.00 0.00 41.12 36.74 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 -4.41 3.00 0.18 -1.24 2.02 -1.26 -0.11 118.70 116.88 1x69 s GLU 33 Ca 0.00 -0.22 0.11 0.00 0.02 0.00 0.00 54.97 54.87 1x69 s GLU 33 Cb 0.00 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1x69 s GLU 33 CO 0.00 -0.49 -0.20 0.96 0.02 0.00 0.00 175.26 175.54 1x69 s ILE 34 N -2.79 2.58 -0.13 -1.63 -4.36 -0.83 -4.71 121.20 109.34 1x69 s ILE 34 Ca 0.51 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 59.04 1x69 s ILE 34 Cb -0.10 -2.24 -0.00 0.00 1.25 0.00 0.00 42.46 41.37 1x69 s ILE 34 CO 0.42 -0.08 -0.18 -0.94 0.24 0.00 0.00 174.94 174.40 1x69 s SER 35 N -2.61 3.55 0.01 4.36 1.04 -1.26 -3.43 113.70 115.35 1x69 s SER 35 Ca 0.21 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 56.15 1x69 s SER 35 Cb -0.08 -1.52 -0.01 0.00 0.10 0.00 0.00 66.02 64.50 1x69 s SER 35 CO 0.11 0.14 0.04 0.72 0.98 0.00 0.00 173.24 175.22 1x69 s PHE 36 N 0.51 0.17 0.69 5.02 -0.12 -1.22 -4.94 117.98 118.09 1x69 s PHE 36 Ca -0.12 -0.37 -0.11 0.00 -0.05 0.00 0.00 56.93 56.28 1x69 s PHE 36 Cb -0.16 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.10 1x69 s PHE 36 CO 0.05 -0.23 1.06 -0.51 -0.05 0.00 0.00 175.22 175.54 1x69 s ASP 37 N -1.43 5.46 0.42 1.98 1.11 -1.26 -2.43 116.67 120.52 1x69 s ASP 37 Ca -0.16 1.45 -0.24 0.00 0.18 0.00 0.00 52.55 53.78 1x69 s ASP 37 Cb -0.09 -2.34 -0.08 0.00 1.07 0.00 0.00 42.92 41.48 1x69 s ASP 37 CO 0.00 -1.37 1.18 -2.16 1.18 0.00 0.00 175.17 174.00 1x69 s PRO 38 N -5.14 3.94 -1.16 8.23 0.04 -1.26 -3.29 135.00 136.36 1x69 s PRO 38 Ca 0.58 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 63.44 1x69 s PRO 38 Cb -0.13 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1x69 s PRO 38 CO 0.54 -0.42 0.24 -0.25 0.04 0.00 0.00 177.00 177.15 1x69 n ASP 39 N -0.13 -4.62 -4.93 6.66 9.92 0.20 -4.95 116.55 118.71 1x69 n ASP 39 Ca 0.05 -0.12 -0.20 0.00 -0.53 0.00 0.00 54.79 53.99 1x69 n ASP 39 Cb 0.47 -3.60 0.06 0.00 -0.64 0.00 0.00 41.12 37.40 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 -2.60 5.06 -0.11 -2.24 1.11 -1.21 -4.82 116.67 111.86 1x69 s ASP 40 Ca 0.12 -0.48 0.02 0.00 0.18 0.00 0.00 52.55 52.39 1x69 s ASP 40 Cb -0.05 -0.20 -0.01 0.00 1.07 0.00 0.00 42.92 43.72 1x69 s ASP 40 CO 0.15 -1.31 -0.17 -0.63 1.18 0.00 0.00 175.17 174.39 1x69 s ILE 41 N -2.74 2.74 0.04 0.77 -1.09 -1.26 -2.35 121.20 117.31 1x69 s ILE 41 Ca 0.61 -0.79 0.07 0.00 -2.23 0.00 0.00 60.65 58.31 1x69 s ILE 41 Cb -0.07 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.67 1x69 s ILE 41 CO 0.39 0.54 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.81 1x69 s ILE 42 N 0.16 1.62 0.17 2.92 1.09 -0.43 -4.71 121.20 122.02 1x69 s ILE 42 Ca -0.09 -1.14 0.03 0.00 -1.10 0.00 0.00 60.65 58.35 1x69 s ILE 42 Cb -0.15 -1.40 -0.05 0.00 -1.06 0.00 0.00 42.46 39.80 1x69 s ILE 42 CO 0.06 0.22 -0.05 0.42 -0.10 0.00 0.00 174.94 175.48 1x69 s THR 43 N -0.76 1.00 -0.93 2.92 -4.23 -1.23 -2.08 115.64 110.33 1x69 s THR 43 Ca 0.07 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 1x69 s THR 43 Cb -0.09 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1x69 s THR 43 CO 0.01 -0.60 0.80 0.59 -0.54 0.00 0.00 174.62 174.88 1x69 n ASN 44 N -0.25 -4.08 -4.67 3.99 5.03 0.16 -1.57 115.26 113.86 1x69 n ASN 44 Ca -0.08 -0.40 -0.43 0.00 0.87 0.00 0.00 54.58 54.54 1x69 n ASN 44 Cb 0.62 -3.74 -0.02 0.00 -1.02 0.00 0.00 39.78 35.61 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 -3.24 4.52 -0.16 2.41 1.01 -0.93 -3.98 121.20 120.83 1x69 s ILE 45 Ca 0.28 1.82 -0.06 0.00 0.00 0.00 0.00 60.65 62.68 1x69 s ILE 45 Cb -0.12 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1x69 s ILE 45 CO 0.52 -0.07 0.05 -0.70 0.00 0.00 0.00 174.94 174.74 1x69 s GLU 46 N 2.68 3.76 -0.60 2.79 2.12 0.15 -4.45 118.70 125.16 1x69 s GLU 46 Ca 0.50 -0.34 -0.21 0.00 0.36 0.00 0.00 54.97 55.29 1x69 s GLU 46 Cb -0.20 -3.13 0.08 0.00 0.26 0.00 0.00 34.13 31.14 1x69 s GLU 46 CO 0.15 0.39 0.81 -1.64 -0.54 0.00 0.00 175.26 174.43 1x69 s MET 47 N 0.04 3.11 -0.08 4.30 -1.94 -1.26 -2.17 119.30 121.31 1x69 s MET 47 Ca 0.05 -0.96 -0.10 0.00 -1.71 0.00 0.00 55.69 52.97 1x69 s MET 47 Cb -0.12 -4.20 -0.03 0.00 2.01 0.00 0.00 34.83 32.48 1x69 s MET 47 CO 0.01 -1.58 -0.20 -0.89 -0.01 0.00 0.00 175.02 172.34 1x69 n ILE 48 N 5.76 1.22 -3.70 2.53 5.41 -1.26 -5.06 119.36 124.26 1x69 n ILE 48 Ca -0.06 0.24 -0.21 0.00 1.00 0.00 0.00 62.75 63.73 1x69 n ILE 48 Cb 0.44 -2.00 -0.03 0.00 -0.71 0.00 0.00 39.64 37.35 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 -5.71 5.30 -0.08 4.38 1.01 -1.10 -5.00 116.67 115.47 1x69 s ASP 49 Ca -0.17 -0.52 0.01 0.00 0.71 0.00 0.00 52.55 52.58 1x69 s ASP 49 Cb 0.02 -0.89 0.14 0.00 1.01 0.00 0.00 42.92 43.20 1x69 s ASP 49 CO 0.25 -0.44 1.10 -0.67 0.21 0.00 0.00 175.17 175.62 1x69 n ASP 50 N -1.45 2.92 0.00 0.27 2.03 -1.26 -3.87 116.55 115.18 1x69 n ASP 50 Ca -0.00 -2.29 0.00 0.00 0.52 0.00 0.00 54.79 53.02 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 0.09 3.43 0.27 0.00 -1.26 -5.05 105.19 102.83 1x69 n GLY 51 Ca 0.11 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 2.45 0.13 1.61 0.52 -1.25 -0.28 118.94 121.13 1x69 s TRP 52 Ca 0.00 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 55.82 1x69 s TRP 52 Cb 0.00 -1.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.90 1x69 s TRP 52 CO 0.00 0.27 -0.03 -1.58 0.02 0.00 0.00 176.95 175.63 1x69 s TRP 53 N -0.98 1.04 -0.21 -1.98 0.51 0.50 -2.71 118.94 115.12 1x69 s TRP 53 Ca 0.15 -0.96 0.01 0.00 -2.12 0.00 0.00 56.10 53.17 1x69 s TRP 53 Cb -0.10 -0.59 0.03 0.00 -0.81 0.00 0.00 33.47 31.99 1x69 s TRP 53 CO 0.06 -0.18 -0.16 1.03 -0.51 0.00 0.00 176.95 177.19 1x69 s ARG 54 N -3.87 2.81 0.15 4.98 0.52 -0.92 -1.23 118.95 121.38 1x69 s ARG 54 Ca 0.18 -0.96 -0.04 0.00 -0.52 0.00 0.00 55.73 54.38 1x69 s ARG 54 Cb 0.06 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 1x69 s ARG 54 CO -0.01 -0.31 0.15 0.20 0.02 0.00 0.00 175.30 175.35 1x69 s GLY 55 N 1.25 0.80 -0.52 -3.53 0.00 -1.23 0.34 107.32 104.43 1x69 s GLY 55 Ca 0.01 -1.25 -0.19 0.00 0.00 0.00 0.00 44.72 43.29 1x69 s GLY 55 CO -0.10 -1.16 0.66 0.14 0.00 0.00 0.00 173.10 172.64 1x69 s VAL 56 N -4.02 4.83 -0.05 1.40 1.01 -0.61 -3.54 120.40 119.42 1x69 s VAL 56 Ca 0.22 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1x69 s VAL 56 Cb 0.06 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1x69 s VAL 56 CO 0.01 -0.87 -0.18 0.00 0.00 0.00 0.00 175.10 174.06 1x69 n LYS 58 N 2.53 -2.00 -1.54 0.00 4.76 -1.26 0.22 118.16 120.88 1x69 n LYS 58 Ca -0.17 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1x69 n LYS 58 Cb 0.52 -4.26 0.00 0.00 -1.84 0.00 0.00 35.03 29.45 1x69 n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x69 n GLY 59 N -0.25 0.93 2.81 0.72 0.00 -1.26 -5.08 105.19 103.05 1x69 n GLY 59 Ca -0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.23 0.00 -0.31 1.61 1.81 0.61 -5.13 118.95 114.32 1x69 s ARG 60 Ca 0.00 0.31 -0.03 0.00 -1.72 0.00 0.00 55.73 54.30 1x69 s ARG 60 Cb 0.00 -0.27 0.05 0.00 -0.45 0.00 0.00 34.95 34.28 1x69 s ARG 60 CO 0.00 -0.21 0.02 -0.47 -0.68 0.00 0.00 175.30 173.96 1x69 s TYR 61 N 1.41 3.26 0.15 -0.53 5.04 -1.25 -0.15 117.35 125.28 1x69 s TYR 61 Ca -0.06 -1.78 -0.05 0.00 -2.44 0.00 0.00 57.07 52.74 1x69 s TYR 61 Cb -0.12 -2.14 0.02 0.00 0.35 0.00 0.00 41.96 40.07 1x69 s TYR 61 CO -0.04 -0.79 0.29 0.41 -1.34 0.00 0.00 175.55 174.08 1x69 n GLY 62 N 4.66 1.77 3.77 8.97 0.00 -1.23 -4.96 105.19 118.17 1x69 n GLY 62 Ca -0.13 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 4.49 -0.11 0.99 1.43 0.85 -3.54 118.68 122.78 1x69 s LEU 63 Ca 0.07 1.93 -0.22 0.00 -1.03 0.00 0.00 54.13 54.88 1x69 s LEU 63 Cb -0.02 -3.81 0.05 0.00 0.03 0.00 0.00 46.19 42.44 1x69 s LEU 63 CO 0.05 0.01 0.53 0.72 0.23 0.00 0.00 176.35 177.90 1x69 s PHE 64 N -1.39 -0.52 0.05 0.29 -0.12 -0.37 -1.96 117.98 113.96 1x69 s PHE 64 Ca 0.46 1.08 -0.31 0.00 -0.05 0.00 0.00 56.93 58.11 1x69 s PHE 64 Cb -0.23 0.24 -0.07 0.00 -0.63 0.00 0.00 43.02 42.34 1x69 s PHE 64 CO 0.29 -0.41 1.41 -1.25 -0.05 0.00 0.00 175.22 175.21 1x69 s PRO 65 N -0.55 4.29 0.00 1.99 0.04 -1.26 -0.37 135.00 139.14 1x69 s PRO 65 Ca -0.07 2.03 0.17 0.00 0.04 0.00 0.00 61.00 63.17 1x69 s PRO 65 Cb -0.03 -3.46 0.91 0.00 0.04 0.00 0.00 34.50 31.95 1x69 s PRO 65 CO 0.04 -0.53 1.46 0.00 0.04 0.00 0.00 177.00 178.01 1x69 n ALA 66 N 4.87 1.99 0.08 8.56 0.00 0.61 -2.73 120.51 133.89 1x69 n ALA 66 Ca 0.13 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 1x69 n ALA 66 Cb 0.43 -1.27 -0.15 0.00 0.00 0.00 0.00 19.45 18.46 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 0.61 0.00 0.00 2.35 -1.90 -3.26 115.58 113.38 1x69 h ASN 67 Ca 0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.83 1x69 h ASN 67 Cb 0.10 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1x69 h ASN 67 CO 0.00 1.64 0.00 -1.22 -1.65 0.00 0.00 177.43 176.20 1x69 n TYR 68 N -3.83 0.00 -4.20 1.19 4.02 -1.11 -4.73 117.16 108.51 1x69 n TYR 68 Ca -0.20 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.57 1x69 n TYR 68 Cb 0.99 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.21 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 0.54 -0.04 -0.72 -7.23 -1.23 -0.30 120.40 109.42 1x69 s VAL 69 Ca 0.27 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1x69 s VAL 69 Cb 0.12 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 1x69 s VAL 69 CO 0.21 -0.60 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.55 1x69 s GLU 70 N -3.92 1.61 0.08 4.82 2.56 0.25 -4.87 118.70 119.23 1x69 s GLU 70 Ca 0.20 -0.53 -0.31 0.00 0.00 0.00 0.00 54.97 54.33 1x69 s GLU 70 Cb 0.06 -1.41 -0.07 0.00 2.00 0.00 0.00 34.13 34.72 1x69 s GLU 70 CO 0.01 0.20 1.36 -0.51 -0.56 0.00 0.00 175.26 175.76 1x69 s LEU 71 N 0.12 4.36 0.57 2.70 1.43 -1.26 -0.34 118.68 126.25 1x69 s LEU 71 Ca -0.05 2.23 0.01 0.00 -1.03 0.00 0.00 54.13 55.29 1x69 s LEU 71 Cb -0.11 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.57 1x69 s LEU 71 CO 0.02 -0.64 0.80 -0.13 0.23 0.00 0.00 176.35 176.63 1x69 s ARG 72 N 1.39 2.50 -0.90 1.70 0.52 -0.63 -4.91 118.95 118.63 1x69 s ARG 72 Ca 0.63 -0.75 -0.02 0.00 -0.52 0.00 0.00 55.73 55.07 1x69 s ARG 72 Cb -0.34 -2.46 0.22 0.00 0.52 0.00 0.00 34.95 32.89 1x69 s ARG 72 CO 0.29 -0.77 0.79 -1.14 0.02 0.00 0.00 175.30 174.49 1x69 s GLN 73 N -4.81 3.32 0.58 3.54 2.00 -1.26 -4.80 119.66 118.23 1x69 s GLN 73 Ca 0.58 -3.23 -0.18 0.00 -2.00 0.00 0.00 55.36 50.53 1x69 s GLN 73 Cb -0.10 -4.00 -0.04 0.00 0.80 0.00 0.00 33.01 29.67 1x69 s GLN 73 CO 0.39 -1.26 1.10 0.45 -0.50 0.00 0.00 175.29 175.47 1x69 s SER 74 N 0.04 5.64 -0.03 6.67 0.15 -1.26 -4.99 113.70 119.92 1x69 s SER 74 Ca 0.27 2.02 -0.30 0.00 0.70 0.00 0.00 55.95 58.64 1x69 s SER 74 Cb -0.08 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 1x69 s SER 74 CO -0.12 -1.27 0.98 -0.83 1.20 0.00 0.00 173.24 173.21 1x69 s GLY 75 N -2.24 2.76 0.00 9.45 0.00 -1.26 -4.91 107.32 111.12 1x69 s GLY 75 Ca 0.68 0.49 0.13 0.00 0.00 0.00 0.00 44.72 46.02 1x69 s GLY 75 CO 0.32 1.73 1.22 -1.55 0.00 0.00 0.00 173.10 174.82 1x69 n PRO 76 N 4.18 0.49 -1.98 2.90 -0.04 -1.26 -4.78 135.00 134.51 1x69 n PRO 76 Ca 0.06 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 1x69 n PRO 76 Cb 0.50 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1x69 n PRO 76 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x69 s SER 77 N -1.93 6.65 0.13 3.54 1.04 -1.26 -4.91 113.70 116.96 1x69 s SER 77 Ca 0.20 2.39 -0.22 0.00 0.48 0.00 0.00 55.95 58.79 1x69 s SER 77 Cb 0.09 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 1x69 s SER 77 CO 0.15 -0.88 1.66 0.28 0.98 0.00 0.00 173.24 175.44 1x69 h SER 78 N 8.57 -0.50 0.00 7.02 0.02 -2.05 -3.55 113.55 123.06 1x69 h SER 78 Ca -0.41 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1x69 h SER 78 Cb 1.19 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1x69 h SER 78 CO 0.93 -0.21 0.00 0.61 -1.14 0.00 0.00 176.83 177.02