#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 -0.30 1.61 1.04 -1.26 -5.06 113.70 109.23 1x69 s SER 2 Ca 0.00 0.50 0.09 0.00 0.48 0.00 0.00 55.95 57.02 1x69 s SER 2 Cb 0.00 0.41 0.46 0.00 0.10 0.00 0.00 66.02 67.00 1x69 s SER 2 CO 0.00 -0.49 1.17 -0.24 0.98 0.00 0.00 173.24 174.66 1x69 n SER 3 N 0.72 4.37 0.00 7.02 2.88 -1.26 -5.01 113.62 122.34 1x69 n SER 3 Ca -0.14 -3.48 0.00 0.00 -1.33 0.00 0.00 58.87 53.92 1x69 n SER 3 Cb 0.58 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1x69 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x69 n GLY 4 N -0.66 2.36 3.18 0.46 0.00 -1.26 -5.18 105.19 104.08 1x69 n GLY 4 Ca 0.38 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 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 2.00 1.53 -0.02 1.61 0.01 -1.26 -5.10 113.70 112.46 1x69 s SER 5 Ca 0.00 -0.76 -0.39 0.00 1.31 0.00 0.00 55.95 56.11 1x69 s SER 5 Cb 0.00 -0.01 -0.18 0.00 0.21 0.00 0.00 66.02 66.03 1x69 s SER 5 CO 0.00 -0.21 1.26 -0.24 0.41 0.00 0.00 173.24 174.46 1x69 n SER 6 N 0.75 0.87 -2.98 2.44 2.88 -1.26 -3.43 113.62 112.89 1x69 n SER 6 Ca -0.17 1.14 -0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1x69 n SER 6 Cb 0.57 -1.03 -0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1x69 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x69 n GLY 7 N 2.25 -1.87 2.85 0.46 0.00 -1.26 -5.02 105.19 102.60 1x69 n GLY 7 Ca 0.21 0.26 -0.17 0.00 0.00 0.00 0.00 46.02 46.32 1x69 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x69 s THR 8 N -1.16 -0.30 -1.26 2.61 -1.32 -1.22 -4.90 115.64 108.08 1x69 s THR 8 Ca -0.01 0.23 -0.09 0.00 -1.21 0.00 0.00 61.69 60.61 1x69 s THR 8 Cb 0.00 -0.41 0.09 0.00 -1.51 0.00 0.00 72.50 70.67 1x69 s THR 8 CO 0.33 0.06 0.22 0.00 -2.21 0.00 0.00 174.62 173.02 1x69 n TYR 9 N 5.33 -0.89 -0.89 9.09 4.11 -1.26 -4.51 117.16 128.14 1x69 n TYR 9 Ca -0.05 0.48 -0.42 0.00 -0.00 0.00 0.00 57.90 57.90 1x69 n TYR 9 Cb 0.50 -1.71 -0.08 0.00 -0.00 0.00 0.00 39.34 38.04 1x69 n TYR 9 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1x69 n ASP 10 N -1.82 0.54 -4.56 9.48 8.00 -1.26 -4.66 116.55 122.28 1x69 n ASP 10 Ca -0.08 0.49 -0.24 0.00 0.71 0.00 0.00 54.79 55.68 1x69 n ASP 10 Cb 0.42 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 40.84 1x69 n ASP 10 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x69 s GLU 11 N 4.11 1.89 -0.28 -1.24 2.02 -1.26 -4.83 118.70 119.10 1x69 s GLU 11 Ca 0.84 0.78 -0.18 0.00 0.02 0.00 0.00 54.97 56.43 1x69 s GLU 11 Cb -1.05 -4.71 0.12 0.00 0.10 0.00 0.00 34.13 28.58 1x69 s GLU 11 CO 0.47 -3.88 0.87 -0.47 0.02 0.00 0.00 175.26 172.28 1x69 s TYR 12 N 13.29 -0.73 -0.18 1.61 6.14 -1.26 -5.16 117.35 131.05 1x69 s TYR 12 Ca 0.92 1.52 -0.09 0.00 0.64 0.00 0.00 57.07 60.06 1x69 s TYR 12 Cb -0.14 0.43 0.07 0.00 0.42 0.00 0.00 41.96 42.74 1x69 s TYR 12 CO 0.15 -0.36 0.42 -1.21 0.64 0.00 0.00 175.55 175.18 1x69 s GLU 13 N 1.18 0.38 0.09 4.97 0.41 -1.26 -5.06 118.70 119.41 1x69 s GLU 13 Ca -0.07 0.85 -0.29 0.00 -0.41 0.00 0.00 54.97 55.06 1x69 s GLU 13 Cb -0.04 0.05 -0.14 0.00 -1.78 0.00 0.00 34.13 32.22 1x69 s GLU 13 CO -0.14 -0.18 1.66 -0.91 -0.49 0.00 0.00 175.26 175.20 1x69 h ASN 14 N 7.35 -0.59 -2.93 -0.19 2.35 -2.03 -3.42 115.58 116.12 1x69 h ASN 14 Ca -0.32 0.04 -0.27 0.00 -0.55 0.00 0.00 56.30 55.20 1x69 h ASN 14 Cb 1.17 0.19 -0.35 0.00 0.05 0.00 0.00 38.32 39.38 1x69 h ASN 14 CO 0.25 -0.35 -0.60 -1.81 -1.65 0.00 0.00 177.43 173.27 1x69 s ASP 15 N -4.73 0.69 0.27 5.81 1.01 -1.26 -5.03 116.67 113.44 1x69 s ASP 15 Ca -0.16 0.35 -0.02 0.00 0.71 0.00 0.00 52.55 53.43 1x69 s ASP 15 Cb 0.06 0.45 0.36 0.00 1.01 0.00 0.00 42.92 44.79 1x69 s ASP 15 CO 0.64 -0.25 1.83 -0.07 0.21 0.00 0.00 175.17 177.52 1x69 h LEU 16 N 8.33 0.85 0.00 1.23 -0.00 -1.99 -3.44 115.31 120.29 1x69 h LEU 16 Ca -0.14 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 1x69 h LEU 16 Cb 1.12 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1x69 h LEU 16 CO 0.16 0.80 0.00 0.61 -0.00 0.00 0.00 178.44 180.00 1x69 n GLY 17 N -0.90 1.28 3.75 0.83 0.00 -1.26 0.12 105.19 109.00 1x69 n GLY 17 Ca 0.05 -0.63 -0.40 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 3.68 0.08 -0.61 1.01 -1.26 -4.81 121.20 119.29 1x69 s ILE 18 Ca 0.00 1.63 0.06 0.00 0.00 0.00 0.00 60.65 62.34 1x69 s ILE 18 Cb 0.00 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1x69 s ILE 18 CO 0.00 0.36 -0.16 0.42 0.00 0.00 0.00 174.94 175.56 1x69 s THR 19 N -0.95 1.31 0.05 2.92 -4.23 -1.26 -2.38 115.64 111.11 1x69 s THR 19 Ca 0.45 -1.38 -0.06 0.00 -1.18 0.00 0.00 61.69 59.51 1x69 s THR 19 Cb -0.30 -1.23 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 1x69 s THR 19 CO 0.38 -0.17 0.12 0.00 -0.54 0.00 0.00 174.62 174.41 1x69 s ALA 20 N -1.24 -0.09 -0.13 3.99 0.00 -1.21 -0.14 121.76 122.95 1x69 s ALA 20 Ca 0.01 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1x69 s ALA 20 Cb -0.10 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1x69 s ALA 20 CO 0.03 -0.38 -0.20 0.54 0.00 0.00 0.00 175.76 175.76 1x69 s VAL 21 N -3.03 2.35 0.36 0.00 0.11 0.22 -1.98 120.40 118.42 1x69 s VAL 21 Ca -0.01 -0.90 -0.28 0.00 -2.93 0.00 0.00 61.98 57.86 1x69 s VAL 21 Cb 0.01 -1.95 -0.11 0.00 -1.53 0.00 0.00 36.38 32.81 1x69 s VAL 21 CO -0.06 0.54 1.43 0.00 -3.33 0.00 0.00 175.10 173.67 1x69 s ALA 22 N 0.60 3.55 -0.21 1.54 0.00 -1.11 -0.75 121.76 125.37 1x69 s ALA 22 Ca -0.11 1.46 0.07 0.00 0.00 0.00 0.00 51.96 53.39 1x69 s ALA 22 Cb -0.16 -3.56 -0.21 0.00 0.00 0.00 0.00 23.12 19.18 1x69 s ALA 22 CO 0.03 -0.91 -0.02 1.28 0.00 0.00 0.00 175.76 176.14 1x69 n LEU 23 N 0.63 1.78 -4.02 0.00 4.77 0.02 0.12 117.00 120.31 1x69 n LEU 23 Ca 0.01 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1x69 n LEU 23 Cb 0.40 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 1x69 n LEU 23 CO 0.62 0.75 -0.38 -0.31 -1.33 0.00 0.00 177.39 176.74 1x69 s TYR 24 N -2.52 0.44 0.30 -1.77 1.51 -1.25 -4.55 117.35 109.52 1x69 s TYR 24 Ca -0.23 -0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 55.01 1x69 s TYR 24 Cb 0.08 -0.28 -0.12 0.00 -0.11 0.00 0.00 41.96 41.52 1x69 s TYR 24 CO 0.71 -0.15 1.42 -0.40 -1.11 0.00 0.00 175.55 176.02 1x69 n ASP 25 N 1.52 3.11 -4.24 2.29 5.75 -1.26 -4.50 116.55 119.22 1x69 n ASP 25 Ca -0.23 1.17 -0.20 0.00 -0.01 0.00 0.00 54.79 55.52 1x69 n ASP 25 Cb 0.55 -1.50 -0.12 0.00 -1.03 0.00 0.00 41.12 39.02 1x69 n ASP 25 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1x69 s TYR 26 N -0.50 1.51 -0.32 2.11 6.14 -1.13 -4.97 117.35 120.20 1x69 s TYR 26 Ca 0.61 -0.47 -0.01 0.00 0.64 0.00 0.00 57.07 57.85 1x69 s TYR 26 Cb -0.57 -0.82 0.10 0.00 0.42 0.00 0.00 41.96 41.09 1x69 s TYR 26 CO 0.55 0.15 0.10 -0.65 0.64 0.00 0.00 175.55 176.35 1x69 s GLN 27 N -2.12 0.72 0.02 4.97 1.11 -1.26 -3.76 119.66 119.34 1x69 s GLN 27 Ca 0.05 -1.10 -0.39 0.00 0.01 0.00 0.00 55.36 53.93 1x69 s GLN 27 Cb -0.08 -1.98 -0.19 0.00 -1.01 0.00 0.00 33.01 29.75 1x69 s GLN 27 CO 0.04 -1.00 1.20 0.00 0.01 0.00 0.00 175.29 175.54 1x69 n ALA 28 N 4.80 -2.47 0.22 6.09 0.00 -1.26 -4.84 120.51 123.06 1x69 n ALA 28 Ca -0.01 0.56 0.12 0.00 0.00 0.00 0.00 53.44 54.11 1x69 n ALA 28 Cb 0.42 -1.90 0.28 0.00 0.00 0.00 0.00 19.45 18.24 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 3.74 0.97 -2.79 0.00 0.00 -1.93 -3.47 119.26 115.78 1x69 h ALA 29 Ca -0.49 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1x69 h ALA 29 Cb 1.39 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 1x69 h ALA 29 CO 0.71 0.08 -0.12 0.20 0.00 0.00 0.00 179.25 180.13 1x69 s GLY 30 N -4.23 0.25 0.37 0.00 0.00 -1.26 -5.03 107.32 97.42 1x69 s GLY 30 Ca 0.05 -0.60 0.15 0.00 0.00 0.00 0.00 44.72 44.32 1x69 s GLY 30 CO 0.65 -0.54 1.77 -1.80 0.00 0.00 0.00 173.10 173.19 1x69 h ASP 31 N 2.32 0.52 -0.28 1.64 3.58 -2.03 -0.09 116.42 122.09 1x69 h ASP 31 Ca -0.29 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.30 1x69 h ASP 31 Cb 1.25 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.26 1x69 h ASP 31 CO 0.40 0.12 -0.02 0.44 -2.88 0.00 0.00 179.24 177.30 1x69 h ASP 32 N 0.47 -0.15 -4.14 2.28 5.19 -1.96 -3.42 116.42 114.69 1x69 h ASP 32 Ca 0.59 0.07 -0.46 0.00 -0.62 0.00 0.00 57.03 56.61 1x69 h ASP 32 Cb 1.35 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.99 1x69 h ASP 32 CO -0.33 -0.04 0.36 -1.61 -3.12 0.00 0.00 179.24 174.51 1x69 s GLU 33 N -6.19 4.05 0.07 3.56 2.02 -0.05 -2.07 118.70 120.08 1x69 s GLU 33 Ca -0.13 1.02 0.05 0.00 0.02 0.00 0.00 54.97 55.92 1x69 s GLU 33 Cb 0.11 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 1x69 s GLU 33 CO 0.69 -0.18 -0.06 0.96 0.02 0.00 0.00 175.26 176.69 1x69 s ILE 34 N -2.46 3.65 -0.13 -1.63 -4.36 -1.10 -4.66 121.20 110.51 1x69 s ILE 34 Ca 0.60 -1.02 -0.04 0.00 -0.26 0.00 0.00 60.65 59.93 1x69 s ILE 34 Cb -0.10 -2.68 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 1x69 s ILE 34 CO 0.25 0.21 0.00 -0.94 0.24 0.00 0.00 174.94 174.70 1x69 s SER 35 N -1.96 5.19 0.06 4.36 1.04 -1.26 -4.18 113.70 116.93 1x69 s SER 35 Ca 0.21 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1x69 s SER 35 Cb -0.11 -1.70 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 1x69 s SER 35 CO 0.13 0.26 -0.04 0.72 0.98 0.00 0.00 173.24 175.28 1x69 s PHE 36 N -0.15 0.58 0.61 5.02 -0.12 -1.25 -4.97 117.98 117.70 1x69 s PHE 36 Ca 0.05 -0.87 -0.09 0.00 -0.05 0.00 0.00 56.93 55.97 1x69 s PHE 36 Cb -0.13 -0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 41.86 1x69 s PHE 36 CO 0.02 -0.26 0.97 -0.51 -0.05 0.00 0.00 175.22 175.40 1x69 s ASP 37 N -2.53 5.97 0.17 1.98 1.01 -1.26 -2.82 116.67 119.18 1x69 s ASP 37 Ca 0.02 1.15 -0.30 0.00 0.71 0.00 0.00 52.55 54.12 1x69 s ASP 37 Cb 0.02 -2.19 -0.08 0.00 1.01 0.00 0.00 42.92 41.68 1x69 s ASP 37 CO -0.06 -0.94 1.32 -2.16 0.21 0.00 0.00 175.17 173.54 1x69 s PRO 38 N -5.10 4.37 -0.49 8.23 0.04 -1.26 -2.85 135.00 137.94 1x69 s PRO 38 Ca 0.54 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1x69 s PRO 38 Cb -0.11 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1x69 s PRO 38 CO 0.50 -0.30 0.00 -3.47 0.04 0.00 0.00 177.00 173.77 1x69 n ASP 39 N 3.08 -2.76 -4.56 6.66 2.03 0.33 -4.95 116.55 116.37 1x69 n ASP 39 Ca 0.08 0.05 -0.27 0.00 0.52 0.00 0.00 54.79 55.17 1x69 n ASP 39 Cb 0.43 -1.60 0.12 0.00 -0.72 0.00 0.00 41.12 39.35 1x69 n ASP 39 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1x69 s ASP 40 N -2.83 4.05 -0.10 1.67 -4.77 -1.13 -4.75 116.67 108.80 1x69 s ASP 40 Ca 0.00 0.16 0.04 0.00 -3.30 0.00 0.00 52.55 49.45 1x69 s ASP 40 Cb 0.00 -0.50 -0.00 0.00 -1.09 0.00 0.00 42.92 41.32 1x69 s ASP 40 CO 0.00 -2.10 -0.23 -0.63 0.70 0.00 0.00 175.17 172.91 1x69 s ILE 41 N -3.46 2.19 0.14 2.11 -1.09 -1.26 -2.77 121.20 117.06 1x69 s ILE 41 Ca 0.67 -0.97 0.11 0.00 -2.23 0.00 0.00 60.65 58.22 1x69 s ILE 41 Cb -0.07 -1.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 1x69 s ILE 41 CO 0.48 0.56 -0.26 -0.63 -1.23 0.00 0.00 174.94 173.86 1x69 s ILE 42 N 0.32 2.20 0.17 2.92 1.09 -0.84 -4.66 121.20 122.41 1x69 s ILE 42 Ca -0.17 -1.79 0.01 0.00 -1.10 0.00 0.00 60.65 57.60 1x69 s ILE 42 Cb -0.18 -1.97 -0.05 0.00 -1.06 0.00 0.00 42.46 39.21 1x69 s ILE 42 CO 0.08 0.02 0.02 0.42 -0.10 0.00 0.00 174.94 175.39 1x69 s THR 43 N -1.21 0.56 -1.39 2.92 -4.23 -1.18 -3.29 115.64 107.83 1x69 s THR 43 Ca 0.14 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.59 1x69 s THR 43 Cb -0.09 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.61 1x69 s THR 43 CO 0.07 -0.43 1.15 0.59 -0.54 0.00 0.00 174.62 175.45 1x69 n ASN 44 N -0.23 -5.99 -4.70 3.99 5.03 0.32 -1.10 115.26 112.58 1x69 n ASN 44 Ca -0.06 -0.58 -0.42 0.00 0.87 0.00 0.00 54.58 54.39 1x69 n ASN 44 Cb 0.64 -4.84 -0.03 0.00 -1.02 0.00 0.00 39.78 34.53 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 -3.32 4.01 -0.18 2.41 1.01 -1.00 -3.74 121.20 120.40 1x69 s ILE 45 Ca 0.58 1.39 -0.06 0.00 0.00 0.00 0.00 60.65 62.57 1x69 s ILE 45 Cb -0.26 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1x69 s ILE 45 CO 0.75 0.03 0.01 -0.70 0.00 0.00 0.00 174.94 175.03 1x69 s GLU 46 N 1.93 3.78 -0.61 2.79 -6.30 0.21 -4.42 118.70 116.08 1x69 s GLU 46 Ca 0.59 -0.45 -0.22 0.00 -2.50 0.00 0.00 54.97 52.40 1x69 s GLU 46 Cb -0.28 -3.08 0.07 0.00 0.00 0.00 0.00 34.13 30.84 1x69 s GLU 46 CO 0.25 0.19 0.87 -1.64 0.02 0.00 0.00 175.26 174.95 1x69 s MET 47 N 0.55 3.12 -0.12 4.30 -1.94 -1.26 -1.65 119.30 122.31 1x69 s MET 47 Ca 0.00 -0.88 -0.13 0.00 -1.71 0.00 0.00 55.69 52.97 1x69 s MET 47 Cb -0.14 -4.20 -0.04 0.00 2.01 0.00 0.00 34.83 32.46 1x69 s MET 47 CO 0.02 -1.65 -0.26 -0.89 -0.01 0.00 0.00 175.02 172.23 1x69 n ILE 48 N 5.84 1.25 -3.60 2.53 5.41 -1.26 -5.05 119.36 124.48 1x69 n ILE 48 Ca -0.05 0.21 -0.20 0.00 1.00 0.00 0.00 62.75 63.71 1x69 n ILE 48 Cb 0.45 -2.13 -0.03 0.00 -0.71 0.00 0.00 39.64 37.23 1x69 n ILE 48 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x69 s ASP 49 N -5.66 5.31 -0.09 4.38 -1.08 -1.12 -5.00 116.67 113.42 1x69 s ASP 49 Ca -0.21 -0.54 0.01 0.00 -0.52 0.00 0.00 52.55 51.28 1x69 s ASP 49 Cb 0.03 -0.82 0.14 0.00 -1.46 0.00 0.00 42.92 40.80 1x69 s ASP 49 CO 0.32 -0.51 1.19 -0.67 0.52 0.00 0.00 175.17 176.02 1x69 n ASP 50 N -1.51 3.18 0.00 -0.34 -0.08 -1.26 -3.89 116.55 112.64 1x69 n ASP 50 Ca 0.01 -2.33 0.00 0.00 -1.51 0.00 0.00 54.79 50.96 1x69 n ASP 50 Cb 0.60 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 43.49 1x69 n ASP 50 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x69 n GLY 51 N 0.17 0.18 3.49 0.27 0.00 -1.26 -5.06 105.19 102.98 1x69 n GLY 51 Ca 0.12 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.99 2.61 0.18 1.61 0.52 -1.25 -0.27 118.94 121.35 1x69 s TRP 52 Ca 0.00 -0.22 0.03 0.00 0.02 0.00 0.00 56.10 55.93 1x69 s TRP 52 Cb 0.00 -1.46 -0.05 0.00 -1.15 0.00 0.00 33.47 30.81 1x69 s TRP 52 CO 0.00 0.30 -0.05 -1.58 0.02 0.00 0.00 176.95 175.64 1x69 s TRP 53 N -0.99 1.33 -0.18 -1.98 0.51 0.47 -2.79 118.94 115.31 1x69 s TRP 53 Ca 0.16 -0.87 -0.00 0.00 -2.12 0.00 0.00 56.10 53.26 1x69 s TRP 53 Cb -0.11 -0.73 0.04 0.00 -0.81 0.00 0.00 33.47 31.87 1x69 s TRP 53 CO 0.07 -0.03 -0.05 1.03 -0.51 0.00 0.00 176.95 177.45 1x69 s ARG 54 N -3.82 1.49 0.17 4.98 0.52 -0.66 -0.88 118.95 120.75 1x69 s ARG 54 Ca 0.22 -0.61 -0.04 0.00 -0.52 0.00 0.00 55.73 54.78 1x69 s ARG 54 Cb 0.04 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 1x69 s ARG 54 CO 0.04 -0.46 0.16 0.20 0.02 0.00 0.00 175.30 175.25 1x69 s GLY 55 N 1.58 1.00 -0.57 -3.53 0.00 -1.24 0.67 107.32 105.23 1x69 s GLY 55 Ca -0.00 -1.38 -0.23 0.00 0.00 0.00 0.00 44.72 43.10 1x69 s GLY 55 CO -0.08 -1.21 0.92 0.14 0.00 0.00 0.00 173.10 172.88 1x69 s VAL 56 N -4.07 4.41 -0.08 1.40 1.01 -0.26 -3.61 120.40 119.22 1x69 s VAL 56 Ca 0.27 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1x69 s VAL 56 Cb 0.06 -4.55 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 1x69 s VAL 56 CO 0.05 -1.16 -0.18 0.00 0.00 0.00 0.00 175.10 173.82 1x69 n LYS 58 N 2.89 -2.54 -2.50 0.00 5.02 -1.26 0.15 118.16 119.92 1x69 n LYS 58 Ca -0.18 0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.15 1x69 n LYS 58 Cb 0.52 -4.56 0.00 0.00 -0.02 0.00 0.00 35.03 30.97 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 -0.62 0.82 3.13 0.72 0.00 -1.26 -5.06 105.19 102.92 1x69 n GLY 59 Ca 0.02 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.95 0.25 -0.34 1.61 0.52 0.40 -5.13 118.95 111.31 1x69 s ARG 60 Ca 0.03 0.81 -0.07 0.00 -0.52 0.00 0.00 55.73 55.98 1x69 s ARG 60 Cb -0.01 0.06 0.04 0.00 0.52 0.00 0.00 34.95 35.56 1x69 s ARG 60 CO 0.03 -0.24 0.11 -0.47 0.02 0.00 0.00 175.30 174.75 1x69 s TYR 61 N 2.13 3.25 0.24 -0.53 5.04 -1.26 -0.22 117.35 126.00 1x69 s TYR 61 Ca -0.03 -1.37 -0.06 0.00 -2.44 0.00 0.00 57.07 53.17 1x69 s TYR 61 Cb -0.11 -2.28 0.02 0.00 0.35 0.00 0.00 41.96 39.94 1x69 s TYR 61 CO -0.10 -0.72 0.41 0.41 -1.34 0.00 0.00 175.55 174.22 1x69 n GLY 62 N 4.82 1.84 3.75 8.97 0.00 -1.24 -4.95 105.19 118.39 1x69 n GLY 62 Ca -0.13 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 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 4.62 -0.14 0.99 1.43 -0.88 -3.60 118.68 121.10 1x69 s LEU 63 Ca 0.14 1.85 -0.17 0.00 -1.03 0.00 0.00 54.13 54.92 1x69 s LEU 63 Cb -0.02 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.72 1x69 s LEU 63 CO 0.10 0.15 0.45 0.72 0.23 0.00 0.00 176.35 178.00 1x69 s PHE 64 N -1.05 -0.46 0.15 0.29 -0.12 -0.06 -2.70 117.98 114.02 1x69 s PHE 64 Ca 0.40 1.07 -0.31 0.00 -0.05 0.00 0.00 56.93 58.04 1x69 s PHE 64 Cb -0.25 0.17 -0.08 0.00 -0.63 0.00 0.00 43.02 42.23 1x69 s PHE 64 CO 0.30 -0.29 1.34 -1.25 -0.05 0.00 0.00 175.22 175.27 1x69 s PRO 65 N -0.09 4.36 0.00 1.99 0.04 -1.26 -0.40 135.00 139.64 1x69 s PRO 65 Ca -0.03 2.04 0.26 0.00 0.04 0.00 0.00 61.00 63.32 1x69 s PRO 65 Cb -0.03 -3.23 1.43 0.00 0.04 0.00 0.00 34.50 32.71 1x69 s PRO 65 CO 0.02 -0.34 1.91 0.00 0.04 0.00 0.00 177.00 178.63 1x69 n ALA 66 N 3.33 2.38 0.13 8.56 0.00 0.63 -2.96 120.51 132.57 1x69 n ALA 66 Ca 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1x69 n ALA 66 Cb 0.43 -1.43 0.02 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.49 0.00 2.35 -1.91 -3.15 115.58 112.39 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 0.61 0.00 -1.22 -1.65 0.00 0.00 177.43 175.17 1x69 n TYR 68 N -3.28 1.14 -4.03 1.19 4.02 -1.16 -4.92 117.16 110.12 1x69 n TYR 68 Ca 0.01 -0.45 -0.10 0.00 -0.01 0.00 0.00 57.90 57.35 1x69 n TYR 68 Cb 0.76 -0.20 -0.07 0.00 -0.02 0.00 0.00 39.34 39.81 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 -1.79 0.02 -0.05 -0.72 -7.23 -1.19 -0.80 120.40 108.64 1x69 s VAL 69 Ca 0.39 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1x69 s VAL 69 Cb 0.25 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 35.06 1x69 s VAL 69 CO 0.18 -0.10 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.14 1x69 s GLU 70 N -4.04 0.77 -0.01 4.82 2.12 0.07 -4.85 118.70 117.59 1x69 s GLU 70 Ca 0.25 -0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.22 1x69 s GLU 70 Cb 0.03 -0.87 -0.07 0.00 0.26 0.00 0.00 34.13 33.48 1x69 s GLU 70 CO 0.07 -0.14 1.76 -0.51 -0.54 0.00 0.00 175.26 175.90 1x69 s LEU 71 N 1.17 4.36 0.98 2.70 1.43 -1.26 -0.61 118.68 127.46 1x69 s LEU 71 Ca -0.07 2.41 -0.14 0.00 -1.03 0.00 0.00 54.13 55.30 1x69 s LEU 71 Cb -0.14 -3.54 0.18 0.00 0.03 0.00 0.00 46.19 42.73 1x69 s LEU 71 CO -0.01 -0.96 1.14 -0.13 0.23 0.00 0.00 176.35 176.61 1x69 s ARG 72 N 4.03 0.53 -0.13 1.70 0.52 0.80 -4.94 118.95 121.47 1x69 s ARG 72 Ca 0.78 0.19 -0.00 0.00 -0.52 0.00 0.00 55.73 56.19 1x69 s ARG 72 Cb -0.37 -1.78 0.03 0.00 0.52 0.00 0.00 34.95 33.35 1x69 s ARG 72 CO 0.34 -2.59 -0.09 -1.14 0.02 0.00 0.00 175.30 171.84 1x69 s GLN 73 N -5.30 1.69 0.09 3.54 0.74 -1.26 -4.81 119.66 114.35 1x69 s GLN 73 Ca 0.66 -0.37 -0.31 0.00 0.05 0.00 0.00 55.36 55.40 1x69 s GLN 73 Cb -0.14 -1.77 -0.10 0.00 1.10 0.00 0.00 33.01 32.11 1x69 s GLN 73 CO 0.55 -0.28 1.87 0.45 -0.55 0.00 0.00 175.29 177.32 1x69 s SER 74 N 1.65 6.44 0.00 6.67 0.15 -1.26 -4.61 113.70 122.74 1x69 s SER 74 Ca 0.04 2.72 0.00 0.00 0.70 0.00 0.00 55.95 59.41 1x69 s SER 74 Cb -0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1x69 s SER 74 CO -0.09 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 173.94 1x69 n GLY 75 N 4.33 1.47 3.77 9.45 0.00 -1.26 -5.12 105.19 117.83 1x69 n GLY 75 Ca 0.18 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 3.65 -0.11 1.61 0.04 -1.26 -4.98 135.00 133.94 1x69 s PRO 76 Ca 0.00 1.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 1x69 s PRO 76 Cb 0.00 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 1x69 s PRO 76 CO 0.00 -0.63 -0.11 0.43 0.04 0.00 0.00 177.00 176.73 1x69 n SER 77 N -0.72 2.74 -3.60 6.66 7.64 -1.26 -5.03 113.62 120.06 1x69 n SER 77 Ca 0.08 -0.03 -0.23 0.00 1.01 0.00 0.00 58.87 59.71 1x69 n SER 77 Cb 0.49 -0.21 0.07 0.00 -1.01 0.00 0.00 64.21 63.55 1x69 n SER 77 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x69 n SER 78 N -2.95 -4.77 0.00 6.43 7.64 -1.26 -5.37 113.62 113.34 1x69 n SER 78 Ca -0.21 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1x69 n SER 78 Cb 0.71 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 1x69 n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64