#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 2.67 -0.33 1.61 2.88 -1.26 -4.93 113.62 114.26 1x69 n SER 2 Ca 0.00 -2.69 -0.01 0.00 -1.33 0.00 0.00 58.87 54.84 1x69 n SER 2 Cb 0.00 -0.45 0.03 0.00 -0.75 0.00 0.00 64.21 63.04 1x69 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x69 n SER 3 N -0.55 -0.58 0.00 -3.46 2.88 -1.26 -4.84 113.62 105.82 1x69 n SER 3 Ca 0.19 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 59.23 1x69 n SER 3 Cb 0.84 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.40 0.80 0.34 0.46 0.00 -1.26 -5.03 105.19 99.10 1x69 n GLY 4 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 1x69 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x69 h SER 5 N 0.00 -1.09 -3.51 1.61 0.02 -2.01 -3.41 113.55 105.16 1x69 h SER 5 Ca 0.00 0.19 -0.44 0.00 -0.84 0.00 0.00 61.79 60.70 1x69 h SER 5 Cb 0.00 0.51 0.19 0.00 0.14 0.00 0.00 62.40 63.24 1x69 h SER 5 CO 0.00 -0.32 0.08 -0.94 -1.14 0.00 0.00 176.83 174.51 1x69 s SER 6 N -5.07 1.54 0.00 3.07 1.04 -1.26 -5.04 113.70 107.99 1x69 s SER 6 Ca -0.15 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.57 1x69 s SER 6 Cb 0.13 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1x69 s SER 6 CO 0.68 -3.82 0.00 0.61 0.98 0.00 0.00 173.24 171.69 1x69 n GLY 7 N -0.09 0.16 3.08 7.32 0.00 -1.26 -5.15 105.19 109.25 1x69 n GLY 7 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.03 -0.10 2.61 -1.32 -1.26 -5.06 115.64 110.53 1x69 s THR 8 Ca 0.00 -0.25 -0.24 0.00 -1.21 0.00 0.00 61.69 59.99 1x69 s THR 8 Cb 0.00 -0.32 -0.28 0.00 -1.51 0.00 0.00 72.50 70.39 1x69 s THR 8 CO 0.00 -0.14 0.74 0.22 -2.21 0.00 0.00 174.62 173.23 1x69 h TYR 9 N 5.27 0.29 -5.21 9.09 5.03 -2.06 -3.48 116.97 125.90 1x69 h TYR 9 Ca -0.27 -0.21 -0.41 0.00 2.58 0.00 0.00 58.73 60.42 1x69 h TYR 9 Cb 1.20 -0.01 0.02 0.00 1.55 0.00 0.00 36.73 39.49 1x69 h TYR 9 CO 0.47 1.25 -0.63 -0.25 -1.32 0.00 0.00 178.16 177.68 1x69 n ASP 10 N -4.30 -5.39 -4.40 -2.11 8.00 -1.26 -4.73 116.55 102.36 1x69 n ASP 10 Ca -0.16 -0.43 -0.49 0.00 0.71 0.00 0.00 54.79 54.43 1x69 n ASP 10 Cb 0.70 -4.34 -0.14 0.00 -0.02 0.00 0.00 41.12 37.32 1x69 n ASP 10 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1x69 n GLU 11 N -4.21 0.01 -0.86 -1.24 0.00 -1.26 -4.81 120.64 108.26 1x69 n GLU 11 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.78 1x69 n GLU 11 Cb 0.58 -1.52 0.09 0.00 0.00 0.00 0.00 31.44 30.60 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 9.33 -2.68 -4.32 4.31 9.36 -1.26 -5.00 117.16 126.89 1x69 n TYR 12 Ca 0.61 0.15 -0.27 0.00 3.32 0.00 0.00 57.90 61.71 1x69 n TYR 12 Cb 0.01 -1.65 -0.10 0.00 -0.63 0.00 0.00 39.34 36.96 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 -3.07 1.91 -0.08 2.98 2.56 -1.26 -5.06 118.70 116.67 1x69 s GLU 13 Ca 0.51 -1.30 -0.16 0.00 0.00 0.00 0.00 54.97 54.01 1x69 s GLU 13 Cb -0.19 -2.09 -0.13 0.00 2.00 0.00 0.00 34.13 33.72 1x69 s GLU 13 CO 0.72 0.44 0.58 -0.97 -0.56 0.00 0.00 175.26 175.47 1x69 h ASN 14 N 3.11 -0.12 -3.03 -1.70 -0.73 -2.05 -3.46 115.58 107.61 1x69 h ASN 14 Ca -0.47 -0.36 -0.62 0.00 1.87 0.00 0.00 56.30 56.72 1x69 h ASN 14 Cb 1.20 0.03 -0.11 0.00 0.27 0.00 0.00 38.32 39.71 1x69 h ASN 14 CO 0.52 0.51 -0.65 1.51 -0.37 0.00 0.00 177.43 178.95 1x69 s ASP 15 N -5.61 4.96 -0.16 1.15 1.47 -1.26 -5.02 116.67 112.19 1x69 s ASP 15 Ca -0.10 -0.28 0.16 0.00 1.18 0.00 0.00 52.55 53.51 1x69 s ASP 15 Cb -0.00 -1.14 0.53 0.00 -0.34 0.00 0.00 42.92 41.97 1x69 s ASP 15 CO 0.37 0.12 1.43 0.18 0.68 0.00 0.00 175.17 177.94 1x69 n LEU 16 N 0.10 3.92 0.00 2.11 4.77 -1.26 -4.87 117.00 121.77 1x69 n LEU 16 Ca -0.10 -2.90 0.00 0.00 -0.03 0.00 0.00 56.01 52.98 1x69 n LEU 16 Cb 0.54 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1x69 n LEU 16 CO 0.39 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 1x69 n GLY 17 N -0.30 1.89 3.80 -0.72 0.00 -1.26 -2.24 105.19 106.36 1x69 n GLY 17 Ca 0.21 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 4.87 0.15 -0.61 1.01 -1.26 -4.80 121.20 120.56 1x69 s ILE 18 Ca 0.00 1.10 0.11 0.00 0.00 0.00 0.00 60.65 61.87 1x69 s ILE 18 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1x69 s ILE 18 CO 0.00 0.53 -0.26 0.42 0.00 0.00 0.00 174.94 175.63 1x69 s THR 19 N -0.86 2.28 0.24 2.92 -4.23 -1.26 -2.03 115.64 112.70 1x69 s THR 19 Ca 0.28 -1.84 -0.13 0.00 -1.18 0.00 0.00 61.69 58.82 1x69 s THR 19 Cb -0.18 -2.03 -0.00 0.00 1.34 0.00 0.00 72.50 71.63 1x69 s THR 19 CO 0.17 0.03 0.48 0.00 -0.54 0.00 0.00 174.62 174.75 1x69 s ALA 20 N -1.24 -0.29 0.03 3.99 0.00 -1.15 -2.56 121.76 120.54 1x69 s ALA 20 Ca 0.16 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.36 1x69 s ALA 20 Cb -0.09 1.05 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 1x69 s ALA 20 CO 0.07 -0.85 -0.23 0.54 0.00 0.00 0.00 175.76 175.28 1x69 s VAL 21 N -4.01 1.88 0.29 0.00 0.11 0.78 -2.27 120.40 117.18 1x69 s VAL 21 Ca 0.21 -1.20 -0.29 0.00 -2.93 0.00 0.00 61.98 57.77 1x69 s VAL 21 Cb -0.01 -1.60 -0.09 0.00 -1.53 0.00 0.00 36.38 33.15 1x69 s VAL 21 CO 0.08 0.35 1.05 0.00 -3.33 0.00 0.00 175.10 173.26 1x69 s ALA 22 N -0.73 3.35 -0.16 1.54 0.00 -1.04 0.31 121.76 125.04 1x69 s ALA 22 Ca 0.09 0.80 0.12 0.00 0.00 0.00 0.00 51.96 52.97 1x69 s ALA 22 Cb -0.09 -3.29 -0.18 0.00 0.00 0.00 0.00 23.12 19.56 1x69 s ALA 22 CO 0.01 -0.07 0.02 1.28 0.00 0.00 0.00 175.76 177.00 1x69 n LEU 23 N 1.08 0.44 -3.87 0.00 4.77 0.01 0.55 117.00 119.97 1x69 n LEU 23 Ca -0.00 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1x69 n LEU 23 Cb 0.46 0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.67 1x69 n LEU 23 CO 0.52 0.45 -0.18 -0.31 -1.33 0.00 0.00 177.39 176.53 1x69 s TYR 24 N -2.38 0.03 0.46 -1.77 1.51 -1.23 -4.70 117.35 109.26 1x69 s TYR 24 Ca -0.10 -0.08 -0.23 0.00 -1.01 0.00 0.00 57.07 55.64 1x69 s TYR 24 Cb 0.05 -0.04 -0.09 0.00 -0.11 0.00 0.00 41.96 41.77 1x69 s TYR 24 CO 0.61 -0.26 1.05 -0.40 -1.11 0.00 0.00 175.55 175.44 1x69 n ASP 25 N 1.65 1.40 -3.68 2.29 5.75 -1.26 -4.42 116.55 118.28 1x69 n ASP 25 Ca -0.22 1.00 -0.15 0.00 -0.01 0.00 0.00 54.79 55.41 1x69 n ASP 25 Cb 0.56 -1.39 -0.15 0.00 -1.03 0.00 0.00 41.12 39.11 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 -1.32 -0.23 -0.45 2.11 6.14 -0.83 -4.96 117.35 117.82 1x69 s TYR 26 Ca 0.65 0.67 -0.05 0.00 0.64 0.00 0.00 57.07 58.98 1x69 s TYR 26 Cb -0.51 -0.18 0.12 0.00 0.42 0.00 0.00 41.96 41.81 1x69 s TYR 26 CO 0.55 -0.27 0.28 1.14 0.64 0.00 0.00 175.55 177.89 1x69 s GLN 27 N 2.08 2.21 0.05 4.97 0.00 -1.26 -1.60 119.66 126.10 1x69 s GLN 27 Ca 0.00 -1.89 -0.37 0.00 -0.00 0.00 0.00 55.36 53.10 1x69 s GLN 27 Cb -0.12 -3.71 -0.19 0.00 0.00 0.00 0.00 33.01 28.99 1x69 s GLN 27 CO -0.06 -1.12 0.95 0.00 0.00 0.00 0.00 175.29 175.05 1x69 n ALA 28 N 4.55 -3.45 -0.07 2.60 0.00 -1.24 -4.86 120.51 118.04 1x69 n ALA 28 Ca -0.02 0.56 -0.14 0.00 0.00 0.00 0.00 53.44 53.84 1x69 n ALA 28 Cb 0.41 -1.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 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 2.56 0.35 -3.00 0.00 0.00 -1.92 -3.47 119.26 113.78 1x69 h ALA 29 Ca -0.46 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1x69 h ALA 29 Cb 1.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1x69 h ALA 29 CO 0.63 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.71 1x69 n GLY 30 N 0.32 5.11 0.14 0.00 0.00 -1.26 -5.06 105.19 104.45 1x69 n GLY 30 Ca -0.05 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 1x69 n GLY 30 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1x69 h ASP 31 N 0.00 0.57 -0.36 1.61 3.58 -2.03 -3.37 116.42 116.43 1x69 h ASP 31 Ca 0.00 -0.93 0.06 0.00 0.42 0.00 0.00 57.03 56.58 1x69 h ASP 31 Cb 0.00 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 40.81 1x69 h ASP 31 CO 0.00 1.79 0.01 0.44 -2.88 0.00 0.00 179.24 178.60 1x69 h ASP 32 N 0.06 -0.12 -4.14 2.28 3.32 -1.96 -3.42 116.42 112.44 1x69 h ASP 32 Ca -0.35 0.08 -0.49 0.00 0.02 0.00 0.00 57.03 56.29 1x69 h ASP 32 Cb 2.06 0.14 0.05 0.00 0.22 0.00 0.00 39.33 41.80 1x69 h ASP 32 CO 0.15 -0.03 0.39 -1.61 -1.72 0.00 0.00 179.24 176.43 1x69 s GLU 33 N -6.18 3.46 0.08 3.56 2.02 -1.26 -1.46 118.70 118.92 1x69 s GLU 33 Ca -0.13 1.33 0.05 0.00 0.02 0.00 0.00 54.97 56.24 1x69 s GLU 33 Cb 0.13 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.28 1x69 s GLU 33 CO 0.71 -0.71 -0.05 0.96 0.02 0.00 0.00 175.26 176.18 1x69 s ILE 34 N -2.18 3.70 -0.20 -1.63 -4.36 -1.14 -4.71 121.20 110.67 1x69 s ILE 34 Ca 0.66 -1.04 -0.05 0.00 -0.26 0.00 0.00 60.65 59.96 1x69 s ILE 34 Cb -0.18 -2.72 -0.02 0.00 1.25 0.00 0.00 42.46 40.80 1x69 s ILE 34 CO 0.30 0.18 -0.00 -0.44 0.24 0.00 0.00 174.94 175.21 1x69 s SER 35 N -2.07 4.80 0.06 4.36 0.01 -1.26 -3.64 113.70 115.97 1x69 s SER 35 Ca 0.22 -0.21 -0.00 0.00 1.31 0.00 0.00 55.95 57.27 1x69 s SER 35 Cb -0.11 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1x69 s SER 35 CO 0.14 0.06 -0.04 0.72 0.41 0.00 0.00 173.24 174.53 1x69 s PHE 36 N 0.99 0.63 0.43 2.43 -0.12 -0.63 -4.92 117.98 116.79 1x69 s PHE 36 Ca 0.02 -1.01 -0.01 0.00 -0.05 0.00 0.00 56.93 55.88 1x69 s PHE 36 Cb -0.14 -0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 41.80 1x69 s PHE 36 CO 0.02 -0.30 0.66 0.16 -0.05 0.00 0.00 175.22 175.70 1x69 s ASP 37 N -2.92 6.02 0.31 1.98 -4.77 -1.26 -1.96 116.67 114.07 1x69 s ASP 37 Ca 0.08 0.44 -0.29 0.00 -3.30 0.00 0.00 52.55 49.48 1x69 s ASP 37 Cb 0.07 -1.79 -0.10 0.00 -1.09 0.00 0.00 42.92 40.01 1x69 s ASP 37 CO -0.08 -0.57 1.23 -2.16 0.70 0.00 0.00 175.17 174.28 1x69 s PRO 38 N -4.52 4.47 -0.47 2.11 0.04 -1.26 -3.19 135.00 132.18 1x69 s PRO 38 Ca 0.46 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1x69 s PRO 38 Cb -0.10 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1x69 s PRO 38 CO 0.39 -0.03 0.00 -0.25 0.04 0.00 0.00 177.00 177.14 1x69 n ASP 39 N 0.95 -2.43 -4.88 6.66 8.00 0.19 -4.92 116.55 120.11 1x69 n ASP 39 Ca -0.00 0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.30 1x69 n ASP 39 Cb 0.43 -1.62 0.07 0.00 -0.02 0.00 0.00 41.12 39.98 1x69 n ASP 39 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1x69 s ASP 40 N -2.79 4.91 -0.08 -2.24 1.11 -1.19 -4.77 116.67 111.62 1x69 s ASP 40 Ca 0.00 -0.45 0.05 0.00 0.18 0.00 0.00 52.55 52.33 1x69 s ASP 40 Cb 0.00 -0.16 -0.01 0.00 1.07 0.00 0.00 42.92 43.82 1x69 s ASP 40 CO 0.00 -1.44 -0.24 -0.63 1.18 0.00 0.00 175.17 174.05 1x69 s ILE 41 N -2.83 2.15 0.01 0.77 -1.09 -1.26 -2.49 121.20 116.46 1x69 s ILE 41 Ca 0.62 -1.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.09 1x69 s ILE 41 Cb -0.07 -1.80 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 1x69 s ILE 41 CO 0.40 0.56 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.85 1x69 s ILE 42 N 0.02 1.53 0.18 2.92 1.09 -0.96 -4.56 121.20 121.43 1x69 s ILE 42 Ca -0.09 -0.97 0.07 0.00 -1.10 0.00 0.00 60.65 58.55 1x69 s ILE 42 Cb -0.15 -1.31 -0.05 0.00 -1.06 0.00 0.00 42.46 39.90 1x69 s ILE 42 CO 0.06 0.31 -0.13 0.42 -0.10 0.00 0.00 174.94 175.49 1x69 s THR 43 N -0.61 1.55 -1.00 2.92 -4.23 -1.11 -2.92 115.64 110.23 1x69 s THR 43 Ca 0.07 -2.15 -0.02 0.00 -1.18 0.00 0.00 61.69 58.41 1x69 s THR 43 Cb -0.08 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1x69 s THR 43 CO 0.00 -0.64 0.29 0.59 -0.54 0.00 0.00 174.62 174.33 1x69 n ASN 44 N -0.29 -4.31 -4.59 3.99 5.03 -0.95 -0.55 115.26 113.58 1x69 n ASN 44 Ca -0.09 -0.14 -0.42 0.00 0.87 0.00 0.00 54.58 54.80 1x69 n ASN 44 Cb 0.60 -3.26 -0.03 0.00 -1.02 0.00 0.00 39.78 36.08 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 -2.86 3.54 -0.07 2.41 1.01 -0.86 -3.87 121.20 120.49 1x69 s ILE 45 Ca 0.14 0.53 -0.22 0.00 0.00 0.00 0.00 60.65 61.10 1x69 s ILE 45 Cb -0.06 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1x69 s ILE 45 CO 0.18 -0.53 0.64 -0.70 0.00 0.00 0.00 174.94 174.53 1x69 s GLU 46 N 5.68 4.41 -0.59 2.79 2.56 0.12 -4.20 118.70 129.46 1x69 s GLU 46 Ca 0.75 0.76 -0.20 0.00 0.00 0.00 0.00 54.97 56.28 1x69 s GLU 46 Cb -0.20 -3.43 0.08 0.00 2.00 0.00 0.00 34.13 32.58 1x69 s GLU 46 CO 0.32 0.12 0.78 -1.64 -0.56 0.00 0.00 175.26 174.28 1x69 s MET 47 N 0.66 3.10 -0.10 4.30 -1.94 -1.26 -1.94 119.30 122.12 1x69 s MET 47 Ca 0.34 -1.02 -0.12 0.00 -1.71 0.00 0.00 55.69 53.19 1x69 s MET 47 Cb -0.17 -4.21 -0.04 0.00 2.01 0.00 0.00 34.83 32.42 1x69 s MET 47 CO 0.16 -1.56 -0.23 -0.89 -0.01 0.00 0.00 175.02 172.49 1x69 n ILE 48 N 5.72 1.19 -3.87 2.53 5.41 -1.26 -5.06 119.36 124.02 1x69 n ILE 48 Ca -0.06 0.23 -0.22 0.00 1.00 0.00 0.00 62.75 63.70 1x69 n ILE 48 Cb 0.44 -2.05 -0.04 0.00 -0.71 0.00 0.00 39.64 37.27 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 5.03 -0.09 4.38 1.01 -1.13 -5.00 116.67 115.25 1x69 s ASP 49 Ca -0.19 -0.64 0.01 0.00 0.71 0.00 0.00 52.55 52.43 1x69 s ASP 49 Cb 0.03 -0.81 0.14 0.00 1.01 0.00 0.00 42.92 43.28 1x69 s ASP 49 CO 0.28 -0.39 1.16 -0.67 0.21 0.00 0.00 175.17 175.76 1x69 n ASP 50 N -1.33 3.08 0.00 0.27 2.03 -1.26 -3.83 116.55 115.51 1x69 n ASP 50 Ca -0.01 -2.32 0.00 0.00 0.52 0.00 0.00 54.79 52.98 1x69 n ASP 50 Cb 0.61 -0.57 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 0.11 3.36 0.27 0.00 -1.26 -5.04 105.19 102.79 1x69 n GLY 51 Ca 0.12 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 2.26 0.16 1.61 0.52 -1.25 -0.45 118.94 120.78 1x69 s TRP 52 Ca 0.00 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.75 1x69 s TRP 52 Cb 0.00 -1.28 -0.05 0.00 -1.15 0.00 0.00 33.47 31.00 1x69 s TRP 52 CO 0.00 0.24 -0.02 -1.58 0.02 0.00 0.00 176.95 175.60 1x69 s TRP 53 N -0.95 1.19 -0.21 -1.98 0.51 0.72 -2.86 118.94 115.37 1x69 s TRP 53 Ca 0.12 -0.96 -0.01 0.00 -2.12 0.00 0.00 56.10 53.14 1x69 s TRP 53 Cb -0.10 -0.67 0.06 0.00 -0.81 0.00 0.00 33.47 31.95 1x69 s TRP 53 CO 0.04 -0.15 -0.01 1.03 -0.51 0.00 0.00 176.95 177.35 1x69 s ARG 54 N -3.87 1.17 0.18 4.98 0.52 -0.82 -0.68 118.95 120.43 1x69 s ARG 54 Ca 0.21 -0.70 -0.01 0.00 -0.52 0.00 0.00 55.73 54.71 1x69 s ARG 54 Cb 0.05 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 1x69 s ARG 54 CO 0.02 -0.61 0.11 0.20 0.02 0.00 0.00 175.30 175.05 1x69 s GLY 55 N 1.62 1.31 -0.57 -3.53 0.00 -1.23 0.16 107.32 105.08 1x69 s GLY 55 Ca -0.03 -1.63 -0.23 0.00 0.00 0.00 0.00 44.72 42.83 1x69 s GLY 55 CO -0.07 -1.39 0.89 0.14 0.00 0.00 0.00 173.10 172.67 1x69 s VAL 56 N -4.12 4.46 -0.11 1.40 1.01 0.29 -3.51 120.40 119.82 1x69 s VAL 56 Ca 0.35 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1x69 s VAL 56 Cb 0.07 -4.53 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 1x69 s VAL 56 CO 0.09 -1.14 -0.18 0.00 0.00 0.00 0.00 175.10 173.87 1x69 n LYS 58 N 3.37 -2.65 -2.51 0.00 5.02 -1.26 0.49 118.16 120.62 1x69 n LYS 58 Ca -0.18 0.29 -0.03 0.00 -2.02 0.00 0.00 58.31 56.36 1x69 n LYS 58 Cb 0.53 -4.89 0.01 0.00 -0.02 0.00 0.00 35.03 30.66 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 -0.86 0.62 3.11 0.72 0.00 -1.26 -5.05 105.19 102.47 1x69 n GLY 59 Ca -0.02 -0.60 -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 -4.93 0.23 -0.31 1.61 0.52 0.18 -5.13 118.95 111.12 1x69 s ARG 60 Ca 0.06 0.79 -0.07 0.00 -0.52 0.00 0.00 55.73 55.99 1x69 s ARG 60 Cb -0.03 0.04 0.02 0.00 0.52 0.00 0.00 34.95 35.50 1x69 s ARG 60 CO 0.08 -0.24 0.09 -0.47 0.02 0.00 0.00 175.30 174.78 1x69 s TYR 61 N 2.14 3.18 0.27 -0.53 6.14 -1.26 -0.19 117.35 127.10 1x69 s TYR 61 Ca -0.03 -1.11 -0.08 0.00 0.64 0.00 0.00 57.07 56.49 1x69 s TYR 61 Cb -0.11 -2.27 0.03 0.00 0.42 0.00 0.00 41.96 40.03 1x69 s TYR 61 CO -0.10 -0.63 0.50 0.41 0.64 0.00 0.00 175.55 176.37 1x69 n GLY 62 N 4.85 1.53 3.75 8.97 0.00 -1.23 -4.96 105.19 118.11 1x69 n GLY 62 Ca -0.14 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 4.64 -0.14 0.99 1.43 -0.53 -3.56 118.68 121.52 1x69 s LEU 63 Ca 0.13 1.93 -0.18 0.00 -1.03 0.00 0.00 54.13 54.98 1x69 s LEU 63 Cb -0.03 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.65 1x69 s LEU 63 CO 0.09 0.16 0.48 0.72 0.23 0.00 0.00 176.35 178.03 1x69 s PHE 64 N -1.15 -0.48 0.08 0.29 -0.12 0.14 -2.88 117.98 113.86 1x69 s PHE 64 Ca 0.41 1.09 -0.31 0.00 -0.05 0.00 0.00 56.93 58.07 1x69 s PHE 64 Cb -0.26 0.19 -0.07 0.00 -0.63 0.00 0.00 43.02 42.25 1x69 s PHE 64 CO 0.32 -0.32 1.39 -1.25 -0.05 0.00 0.00 175.22 175.30 1x69 s PRO 65 N -0.20 4.31 0.00 1.99 0.04 -1.26 -0.20 135.00 139.68 1x69 s PRO 65 Ca -0.04 2.03 0.16 0.00 0.04 0.00 0.00 61.00 63.19 1x69 s PRO 65 Cb -0.03 -3.36 0.90 0.00 0.04 0.00 0.00 34.50 32.05 1x69 s PRO 65 CO 0.02 -0.47 1.38 0.00 0.04 0.00 0.00 177.00 177.97 1x69 n ALA 66 N 4.39 2.03 0.09 8.56 0.00 0.40 -2.55 120.51 133.43 1x69 n ALA 66 Ca 0.12 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1x69 n ALA 66 Cb 0.43 -1.26 -0.15 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 0.62 0.00 0.00 2.35 -1.90 -3.27 115.58 113.38 1x69 h ASN 67 Ca 0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 54.92 1x69 h ASN 67 Cb 0.04 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1x69 h ASN 67 CO 0.00 1.69 0.00 -1.22 -1.65 0.00 0.00 177.43 176.25 1x69 n TYR 68 N -3.59 0.00 -4.17 1.19 4.02 -1.06 -4.78 117.16 108.77 1x69 n TYR 68 Ca -0.21 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.58 1x69 n TYR 68 Cb 1.08 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.30 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 0.05 -0.02 -0.72 -7.23 -1.23 -0.81 120.40 108.43 1x69 s VAL 69 Ca 0.14 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1x69 s VAL 69 Cb 0.06 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.73 1x69 s VAL 69 CO 0.11 -0.21 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.97 1x69 s GLU 70 N -4.10 0.35 -0.06 4.82 2.56 0.15 -4.85 118.70 117.56 1x69 s GLU 70 Ca 0.32 -0.06 -0.30 0.00 0.00 0.00 0.00 54.97 54.93 1x69 s GLU 70 Cb 0.07 -0.41 -0.05 0.00 2.00 0.00 0.00 34.13 35.74 1x69 s GLU 70 CO 0.07 -0.01 1.51 -0.51 -0.56 0.00 0.00 175.26 175.76 1x69 s LEU 71 N 0.41 4.29 0.81 2.70 1.43 -1.26 -0.15 118.68 126.90 1x69 s LEU 71 Ca -0.04 2.10 -0.14 0.00 -1.03 0.00 0.00 54.13 55.02 1x69 s LEU 71 Cb -0.07 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.67 1x69 s LEU 71 CO -0.01 -0.85 1.06 0.54 0.23 0.00 0.00 176.35 177.32 1x69 n ARG 72 N 6.60 0.18 -5.18 1.70 5.12 -1.06 -4.93 116.66 119.09 1x69 n ARG 72 Ca 0.16 0.13 -0.32 0.00 -1.93 0.00 0.00 57.85 55.89 1x69 n ARG 72 Cb 0.43 -2.32 -0.16 0.00 -1.16 0.00 0.00 32.46 29.26 1x69 n ARG 72 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1x69 s GLN 73 N -3.89 2.58 0.25 5.56 -0.21 -1.26 -5.00 119.66 117.69 1x69 s GLN 73 Ca 0.71 -0.86 0.04 0.00 0.02 0.00 0.00 55.36 55.27 1x69 s GLN 73 Cb -0.29 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.47 1x69 s GLN 73 CO 0.53 0.41 0.38 -1.12 -2.12 0.00 0.00 175.29 173.37 1x69 s SER 74 N -0.23 6.32 0.39 5.90 0.01 -1.26 -5.13 113.70 119.69 1x69 s SER 74 Ca -0.01 0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.41 1x69 s SER 74 Cb -0.13 -1.88 -0.05 0.00 0.21 0.00 0.00 66.02 64.16 1x69 s SER 74 CO 0.03 -0.09 0.06 -0.83 0.41 0.00 0.00 173.24 172.81 1x69 s GLY 75 N -3.95 2.42 -0.05 3.44 0.00 -1.26 -5.11 107.32 102.80 1x69 s GLY 75 Ca 0.35 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 43.10 1x69 s GLY 75 CO 0.30 -1.93 1.49 2.56 0.00 0.00 0.00 173.10 175.52 1x69 s PRO 76 N -3.82 4.23 0.27 2.90 0.04 -1.26 -4.90 135.00 132.46 1x69 s PRO 76 Ca 0.29 2.02 0.20 0.00 0.04 0.00 0.00 61.00 63.55 1x69 s PRO 76 Cb 0.06 -3.78 0.10 0.00 0.04 0.00 0.00 34.50 30.92 1x69 s PRO 76 CO 0.14 -0.72 1.26 0.66 0.04 0.00 0.00 177.00 178.38 1x69 h SER 77 N 8.63 0.00 -7.12 6.66 4.64 -2.07 -3.47 113.55 120.82 1x69 h SER 77 Ca -0.36 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.35 1x69 h SER 77 Cb 1.16 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.89 1x69 h SER 77 CO 0.94 0.19 -0.89 -0.24 -0.87 0.00 0.00 176.83 175.97 1x69 n SER 78 N -2.95 -1.96 -0.43 4.97 2.88 -1.26 -5.37 113.62 109.49 1x69 n SER 78 Ca 0.00 -1.19 0.14 0.00 -1.33 0.00 0.00 58.87 56.49 1x69 n SER 78 Cb 0.63 -1.70 0.57 0.00 -0.75 0.00 0.00 64.21 62.96 1x69 n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42