#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 0.24 0.03 1.61 0.01 -1.26 -5.18 113.70 109.16 1x69 s SER 2 Ca 0.00 -1.21 -0.29 0.00 1.31 0.00 0.00 55.95 55.77 1x69 s SER 2 Cb 0.00 0.33 0.10 0.00 0.21 0.00 0.00 66.02 66.67 1x69 s SER 2 CO 0.00 -0.78 1.20 -0.55 0.41 0.00 0.00 173.24 173.52 1x69 s SER 3 N -3.06 -0.09 0.00 2.44 0.15 -1.26 -5.18 113.70 106.70 1x69 s SER 3 Ca 0.27 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1x69 s SER 3 Cb 0.07 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1x69 s SER 3 CO 0.04 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1x69 n GLY 4 N -0.49 1.60 2.53 9.45 0.00 -1.26 -5.01 105.19 112.01 1x69 n GLY 4 Ca -0.08 0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1x69 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x69 n SER 5 N 0.00 7.61 -0.29 1.61 3.41 -1.26 -4.80 113.62 119.90 1x69 n SER 5 Ca 0.00 -3.78 -0.08 0.00 -0.26 0.00 0.00 58.87 54.75 1x69 n SER 5 Cb 0.00 -1.02 -0.07 0.00 -0.26 0.00 0.00 64.21 62.86 1x69 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x69 n SER 6 N -0.73 -0.74 0.00 4.04 2.88 -1.26 -4.93 113.62 112.88 1x69 n SER 6 Ca 0.59 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 59.50 1x69 n SER 6 Cb 0.50 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 -1.17 0.44 0.00 0.46 0.00 -1.26 -4.74 105.19 98.92 1x69 n GLY 7 Ca 0.01 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.25 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 3.26 0.02 -3.56 2.61 -1.04 -1.26 -4.95 114.28 109.37 1x69 n THR 8 Ca 0.00 -0.04 -0.15 0.00 -2.04 0.00 0.00 64.05 61.82 1x69 n THR 8 Cb 0.00 0.55 -0.06 0.00 -1.82 0.00 0.00 70.33 69.00 1x69 n THR 8 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1x69 s TYR 9 N -3.03 -0.62 -0.40 -1.42 1.13 -1.26 -5.05 117.35 106.69 1x69 s TYR 9 Ca 0.09 1.20 0.04 0.00 -1.41 0.00 0.00 57.07 56.99 1x69 s TYR 9 Cb 0.16 0.39 0.46 0.00 -1.10 0.00 0.00 41.96 41.87 1x69 s TYR 9 CO 0.78 -0.50 1.45 -0.25 -2.51 0.00 0.00 175.55 174.52 1x69 n ASP 10 N 1.29 5.67 -2.92 -0.18 8.00 -1.26 -4.77 116.55 122.38 1x69 n ASP 10 Ca -0.16 -3.76 -0.29 0.00 0.71 0.00 0.00 54.79 51.29 1x69 n ASP 10 Cb 0.57 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 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 -0.78 3.51 -2.97 -1.24 2.13 -1.26 -5.05 120.64 114.97 1x69 n GLU 11 Ca 0.49 -4.73 -0.19 0.00 0.66 0.00 0.00 57.16 53.39 1x69 n GLU 11 Cb 0.88 -2.27 0.05 0.00 0.27 0.00 0.00 31.44 30.38 1x69 n GLU 11 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1x69 s TYR 12 N -3.61 1.78 -0.24 4.31 5.04 -1.26 -5.11 117.35 118.26 1x69 s TYR 12 Ca 0.48 -0.58 -0.03 0.00 -2.44 0.00 0.00 57.07 54.49 1x69 s TYR 12 Cb 0.30 -2.35 0.08 0.00 0.35 0.00 0.00 41.96 40.34 1x69 s TYR 12 CO -0.16 -1.05 0.09 -2.00 -1.34 0.00 0.00 175.55 171.09 1x69 s GLU 13 N -4.65 0.41 -0.27 4.97 2.12 -1.26 -5.10 118.70 114.91 1x69 s GLU 13 Ca 0.61 -0.51 0.02 0.00 0.36 0.00 0.00 54.97 55.45 1x69 s GLU 13 Cb -0.07 -1.75 0.07 0.00 0.26 0.00 0.00 34.13 32.64 1x69 s GLU 13 CO 0.38 -0.83 -0.05 -0.80 -0.54 0.00 0.00 175.26 173.43 1x69 s ASN 14 N 1.94 4.30 -0.84 -1.70 0.02 -1.26 -5.05 114.94 112.36 1x69 s ASN 14 Ca 0.05 -1.49 0.01 0.00 -1.02 0.00 0.00 52.86 50.40 1x69 s ASN 14 Cb -0.17 -1.41 0.21 0.00 0.02 0.00 0.00 41.25 39.90 1x69 s ASN 14 CO -0.20 -0.25 0.72 0.47 0.02 0.00 0.00 177.10 177.85 1x69 n ASP 15 N 4.49 3.89 0.04 -1.22 8.00 -1.26 -4.85 116.55 125.64 1x69 n ASP 15 Ca -0.09 -3.18 -0.13 0.00 0.71 0.00 0.00 54.79 52.10 1x69 n ASP 15 Cb 0.43 -0.95 -0.14 0.00 -0.02 0.00 0.00 41.12 40.44 1x69 n ASP 15 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1x69 h LEU 16 N 5.69 0.22 0.00 0.64 3.38 -1.99 -3.45 115.31 119.80 1x69 h LEU 16 Ca 0.16 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1x69 h LEU 16 Cb 0.78 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1x69 h LEU 16 CO 0.83 1.26 0.00 0.61 0.09 0.00 0.00 178.44 181.23 1x69 n GLY 17 N 1.58 1.78 3.85 0.83 0.00 -1.26 0.14 105.19 112.11 1x69 n GLY 17 Ca -0.13 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 4.93 0.11 -0.61 1.01 -1.26 -4.85 121.20 120.53 1x69 s ILE 18 Ca 0.00 0.69 0.05 0.00 0.00 0.00 0.00 60.65 61.38 1x69 s ILE 18 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1x69 s ILE 18 CO 0.00 0.22 -0.12 0.42 0.00 0.00 0.00 174.94 175.46 1x69 s THR 19 N -1.49 1.13 0.17 2.92 -4.23 -1.26 -1.36 115.64 111.52 1x69 s THR 19 Ca 0.38 -1.65 -0.10 0.00 -1.18 0.00 0.00 61.69 59.14 1x69 s THR 19 Cb -0.14 -1.41 -0.00 0.00 1.34 0.00 0.00 72.50 72.28 1x69 s THR 19 CO 0.19 -0.47 0.32 0.00 -0.54 0.00 0.00 174.62 174.12 1x69 s ALA 20 N -2.21 -0.16 -0.12 3.99 0.00 -1.16 -2.50 121.76 119.60 1x69 s ALA 20 Ca 0.06 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1x69 s ALA 20 Cb -0.04 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1x69 s ALA 20 CO 0.02 -0.67 -0.20 0.54 0.00 0.00 0.00 175.76 175.45 1x69 s VAL 21 N -3.95 1.83 0.55 0.00 0.11 0.72 -2.28 120.40 117.39 1x69 s VAL 21 Ca 0.16 -0.85 -0.21 0.00 -2.93 0.00 0.00 61.98 58.15 1x69 s VAL 21 Cb 0.03 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.20 1x69 s VAL 21 CO -0.01 0.51 1.28 0.00 -3.33 0.00 0.00 175.10 173.55 1x69 s ALA 22 N 0.81 2.74 -0.18 1.54 0.00 -1.03 -0.10 121.76 125.54 1x69 s ALA 22 Ca -0.09 1.18 0.07 0.00 0.00 0.00 0.00 51.96 53.12 1x69 s ALA 22 Cb -0.16 -3.51 -0.15 0.00 0.00 0.00 0.00 23.12 19.30 1x69 s ALA 22 CO -0.00 -1.22 -0.08 1.28 0.00 0.00 0.00 175.76 175.74 1x69 n LEU 23 N -1.15 1.71 -4.03 0.00 4.77 0.37 -0.39 117.00 118.28 1x69 n LEU 23 Ca 0.11 -0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.95 1x69 n LEU 23 Cb 0.47 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1x69 n LEU 23 CO 0.49 0.63 -0.34 -0.31 -1.33 0.00 0.00 177.39 176.54 1x69 s TYR 24 N -2.38 0.39 0.19 -1.77 1.51 -1.23 -4.58 117.35 109.49 1x69 s TYR 24 Ca -0.18 -0.81 -0.31 0.00 -1.01 0.00 0.00 57.07 54.76 1x69 s TYR 24 Cb 0.06 -0.29 -0.10 0.00 -0.11 0.00 0.00 41.96 41.52 1x69 s TYR 24 CO 0.52 -0.31 1.48 0.16 -1.11 0.00 0.00 175.55 176.29 1x69 s ASP 25 N -2.32 6.65 0.22 2.29 1.47 -1.26 -4.31 116.67 119.41 1x69 s ASP 25 Ca -0.02 2.59 0.10 0.00 1.18 0.00 0.00 52.55 56.40 1x69 s ASP 25 Cb 0.01 -2.61 -0.05 0.00 -0.34 0.00 0.00 42.92 39.93 1x69 s ASP 25 CO -0.06 -0.74 -0.19 -0.47 0.68 0.00 0.00 175.17 174.38 1x69 s TYR 26 N 0.64 2.06 -0.33 2.11 6.14 -1.10 -4.97 117.35 121.90 1x69 s TYR 26 Ca 0.65 -0.42 -0.01 0.00 0.64 0.00 0.00 57.07 57.93 1x69 s TYR 26 Cb -0.42 -0.96 0.11 0.00 0.42 0.00 0.00 41.96 41.12 1x69 s TYR 26 CO 0.36 0.51 0.14 -0.65 0.64 0.00 0.00 175.55 176.55 1x69 s GLN 27 N -3.23 0.73 -0.46 4.97 -1.52 -1.26 -3.89 119.66 115.00 1x69 s GLN 27 Ca 0.23 -1.20 -0.41 0.00 -1.95 0.00 0.00 55.36 52.04 1x69 s GLN 27 Cb -0.05 -1.88 -0.16 0.00 -0.22 0.00 0.00 33.01 30.70 1x69 s GLN 27 CO 0.10 -1.04 2.17 0.00 -0.25 0.00 0.00 175.29 176.27 1x69 n ALA 28 N 4.59 0.52 -0.32 6.09 0.00 -1.25 -4.76 120.51 125.38 1x69 n ALA 28 Ca 0.01 0.09 0.19 0.00 0.00 0.00 0.00 53.44 53.73 1x69 n ALA 28 Cb 0.40 -2.25 0.39 0.00 0.00 0.00 0.00 19.45 17.99 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 10.25 1.61 -3.00 0.00 0.00 -1.91 -3.44 119.26 122.77 1x69 h ALA 29 Ca -0.16 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1x69 h ALA 29 Cb 1.38 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1x69 h ALA 29 CO 1.07 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1x69 n GLY 30 N -1.35 5.32 0.18 0.00 0.00 -1.26 -5.05 105.19 103.03 1x69 n GLY 30 Ca 0.27 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1x69 n GLY 30 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1x69 h ASP 31 N 0.00 0.61 -0.70 1.61 2.03 -2.03 -3.22 116.42 114.72 1x69 h ASP 31 Ca 0.00 -0.53 0.15 0.00 -0.73 0.00 0.00 57.03 55.93 1x69 h ASP 31 Cb 0.00 -0.17 -0.11 0.00 -0.83 0.00 0.00 39.33 38.21 1x69 h ASP 31 CO 0.00 1.02 0.08 0.44 -1.03 0.00 0.00 179.24 179.75 1x69 h ASP 32 N 0.22 -0.17 -3.90 4.15 5.19 -1.96 -3.41 116.42 116.55 1x69 h ASP 32 Ca 0.02 0.16 -0.49 0.00 -0.62 0.00 0.00 57.03 56.10 1x69 h ASP 32 Cb 0.90 0.26 0.01 0.00 0.18 0.00 0.00 39.33 40.67 1x69 h ASP 32 CO 0.07 -0.10 0.22 -1.61 -3.12 0.00 0.00 179.24 174.71 1x69 s GLU 33 N -6.09 3.84 0.12 3.56 2.02 -1.22 -1.40 118.70 119.53 1x69 s GLU 33 Ca -0.13 0.67 0.06 0.00 0.02 0.00 0.00 54.97 55.59 1x69 s GLU 33 Cb 0.21 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 1x69 s GLU 33 CO 0.75 -0.14 -0.03 0.96 0.02 0.00 0.00 175.26 176.82 1x69 s ILE 34 N -2.48 3.74 -0.20 -1.63 -4.36 -1.10 -4.68 121.20 110.49 1x69 s ILE 34 Ca 0.54 -1.21 -0.03 0.00 -0.26 0.00 0.00 60.65 59.69 1x69 s ILE 34 Cb -0.10 -2.80 -0.01 0.00 1.25 0.00 0.00 42.46 40.79 1x69 s ILE 34 CO 0.32 0.04 -0.06 -0.94 0.24 0.00 0.00 174.94 174.54 1x69 s SER 35 N -2.48 4.32 0.10 4.36 1.04 -1.26 -3.75 113.70 116.03 1x69 s SER 35 Ca 0.25 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.38 1x69 s SER 35 Cb -0.11 -1.72 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 1x69 s SER 35 CO 0.17 0.04 -0.13 0.72 0.98 0.00 0.00 173.24 175.02 1x69 s PHE 36 N 1.15 1.22 0.60 5.02 -0.12 -1.25 -4.95 117.98 119.65 1x69 s PHE 36 Ca 0.02 -0.56 -0.09 0.00 -0.05 0.00 0.00 56.93 56.24 1x69 s PHE 36 Cb -0.14 -0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 41.56 1x69 s PHE 36 CO -0.01 0.07 0.98 -0.51 -0.05 0.00 0.00 175.22 175.70 1x69 s ASP 37 N -2.26 6.04 0.27 1.98 1.01 -1.26 -2.72 116.67 119.73 1x69 s ASP 37 Ca 0.05 1.19 -0.29 0.00 0.71 0.00 0.00 52.55 54.20 1x69 s ASP 37 Cb -0.06 -2.25 -0.10 0.00 1.01 0.00 0.00 42.92 41.53 1x69 s ASP 37 CO 0.02 -0.91 1.25 -2.16 0.21 0.00 0.00 175.17 173.58 1x69 s PRO 38 N -5.10 4.44 -0.75 8.23 0.04 -1.26 -3.02 135.00 137.59 1x69 s PRO 38 Ca 0.54 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1x69 s PRO 38 Cb -0.11 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1x69 s PRO 38 CO 0.51 -0.11 0.00 -0.25 0.04 0.00 0.00 177.00 177.19 1x69 n ASP 39 N 1.55 -3.19 -4.95 6.66 8.00 0.48 -4.94 116.55 120.14 1x69 n ASP 39 Ca 0.02 0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.35 1x69 n ASP 39 Cb 0.43 -2.25 0.04 0.00 -0.02 0.00 0.00 41.12 39.32 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 -2.69 5.19 -0.12 -2.24 1.11 -1.17 -4.78 116.67 111.97 1x69 s ASP 40 Ca 0.00 -0.03 0.00 0.00 0.18 0.00 0.00 52.55 52.70 1x69 s ASP 40 Cb 0.00 -0.80 -0.02 0.00 1.07 0.00 0.00 42.92 43.17 1x69 s ASP 40 CO 0.00 -1.21 -0.13 -0.63 1.18 0.00 0.00 175.17 174.37 1x69 s ILE 41 N -2.81 3.03 -0.02 0.77 -1.09 -1.26 -2.47 121.20 117.36 1x69 s ILE 41 Ca 0.58 -0.68 0.08 0.00 -2.23 0.00 0.00 60.65 58.40 1x69 s ILE 41 Cb -0.10 -2.26 -0.02 0.00 -1.58 0.00 0.00 42.46 38.50 1x69 s ILE 41 CO 0.39 0.53 -0.25 -0.63 -1.23 0.00 0.00 174.94 173.76 1x69 s ILE 42 N 0.20 1.96 0.35 2.92 1.09 -0.96 -4.79 121.20 121.97 1x69 s ILE 42 Ca -0.08 -1.07 0.09 0.00 -1.10 0.00 0.00 60.65 58.49 1x69 s ILE 42 Cb -0.15 -1.63 -0.06 0.00 -1.06 0.00 0.00 42.46 39.56 1x69 s ILE 42 CO 0.05 0.55 -0.00 0.42 -0.10 0.00 0.00 174.94 175.85 1x69 s THR 43 N -0.59 2.45 -1.30 2.92 -4.23 -1.21 -2.98 115.64 110.71 1x69 s THR 43 Ca 0.10 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1x69 s THR 43 Cb -0.10 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1x69 s THR 43 CO -0.01 -0.17 0.75 0.59 -0.54 0.00 0.00 174.62 175.24 1x69 n ASN 44 N -0.93 -1.42 -4.60 3.99 5.03 0.37 -1.44 115.26 116.25 1x69 n ASN 44 Ca -0.04 -0.79 -0.43 0.00 0.87 0.00 0.00 54.58 54.19 1x69 n ASN 44 Cb 0.63 -4.19 -0.02 0.00 -1.02 0.00 0.00 39.78 35.18 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 -3.62 4.33 -0.21 2.41 1.01 -0.46 -3.80 121.20 120.87 1x69 s ILE 45 Ca 0.03 1.23 -0.15 0.00 0.00 0.00 0.00 60.65 61.76 1x69 s ILE 45 Cb -0.01 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 1x69 s ILE 45 CO 0.80 -0.85 0.35 -1.61 0.00 0.00 0.00 174.94 173.62 1x69 s GLU 46 N 4.13 4.16 -0.64 2.79 0.41 0.76 -4.27 118.70 126.03 1x69 s GLU 46 Ca 0.45 0.10 -0.25 0.00 -0.41 0.00 0.00 54.97 54.86 1x69 s GLU 46 Cb -0.09 -3.53 0.04 0.00 -1.78 0.00 0.00 34.13 28.77 1x69 s GLU 46 CO 0.27 -0.01 1.09 -1.64 -0.49 0.00 0.00 175.26 174.49 1x69 s MET 47 N 1.22 3.26 -0.04 1.61 -1.94 -1.26 -2.30 119.30 119.84 1x69 s MET 47 Ca 0.17 -0.32 -0.09 0.00 -1.71 0.00 0.00 55.69 53.74 1x69 s MET 47 Cb -0.14 -4.13 -0.03 0.00 2.01 0.00 0.00 34.83 32.54 1x69 s MET 47 CO 0.07 -1.81 -0.17 -0.89 -0.01 0.00 0.00 175.02 172.21 1x69 n ILE 48 N 6.26 1.24 -4.42 2.53 5.41 -1.26 -5.01 119.36 124.11 1x69 n ILE 48 Ca 0.02 0.27 -0.34 0.00 1.00 0.00 0.00 62.75 63.70 1x69 n ILE 48 Cb 0.48 -1.92 -0.13 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 -5.81 4.46 0.65 4.38 1.11 0.76 -4.97 116.67 117.25 1x69 s ASP 49 Ca -0.14 -0.24 0.17 0.00 0.18 0.00 0.00 52.55 52.52 1x69 s ASP 49 Cb 0.02 -1.72 0.91 0.00 1.07 0.00 0.00 42.92 43.20 1x69 s ASP 49 CO 0.21 0.13 1.51 -0.78 1.18 0.00 0.00 175.17 177.41 1x69 h ASP 50 N 6.99 0.00 0.00 0.27 1.82 -2.01 0.34 116.42 123.83 1x69 h ASP 50 Ca -0.31 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.26 1x69 h ASP 50 Cb 1.19 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.19 1x69 h ASP 50 CO 0.60 0.00 -1.54 0.61 -1.61 0.00 0.00 179.24 177.30 1x69 n GLY 51 N -1.34 -0.47 3.15 -0.78 0.00 -1.26 -4.85 105.19 99.64 1x69 n GLY 51 Ca -0.01 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.53 1.24 0.37 1.61 0.52 0.12 -0.76 118.94 119.50 1x69 s TRP 52 Ca -0.04 -0.37 0.05 0.00 0.02 0.00 0.00 56.10 55.76 1x69 s TRP 52 Cb 0.05 -0.73 -0.03 0.00 -1.15 0.00 0.00 33.47 31.62 1x69 s TRP 52 CO 0.41 0.04 0.19 -1.58 0.02 0.00 0.00 176.95 176.04 1x69 s TRP 53 N -0.90 1.75 -0.08 -1.98 0.51 0.75 -0.17 118.94 118.84 1x69 s TRP 53 Ca 0.01 -1.46 -0.03 0.00 -2.12 0.00 0.00 56.10 52.51 1x69 s TRP 53 Cb -0.08 -0.95 0.04 0.00 -0.81 0.00 0.00 33.47 31.67 1x69 s TRP 53 CO 0.01 -0.56 0.07 1.03 -0.51 0.00 0.00 176.95 176.99 1x69 s ARG 54 N -3.61 -0.03 0.15 4.98 0.52 -0.97 -0.98 118.95 119.01 1x69 s ARG 54 Ca 0.31 0.25 -0.02 0.00 -0.52 0.00 0.00 55.73 55.75 1x69 s ARG 54 Cb 0.02 -0.87 -0.03 0.00 0.52 0.00 0.00 34.95 34.59 1x69 s ARG 54 CO 0.20 -0.42 0.12 0.20 0.02 0.00 0.00 175.30 175.42 1x69 s GLY 55 N 2.16 1.01 -0.52 -3.53 0.00 -1.24 -0.17 107.32 105.03 1x69 s GLY 55 Ca 0.04 -1.42 -0.20 0.00 0.00 0.00 0.00 44.72 43.14 1x69 s GLY 55 CO -0.05 -1.27 0.67 0.14 0.00 0.00 0.00 173.10 172.58 1x69 s VAL 56 N -4.06 4.82 -0.05 1.40 1.01 -0.52 -3.58 120.40 119.41 1x69 s VAL 56 Ca 0.26 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1x69 s VAL 56 Cb 0.07 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1x69 s VAL 56 CO 0.04 -0.87 -0.17 0.00 0.00 0.00 0.00 175.10 174.10 1x69 n LYS 58 N 2.50 -1.81 -2.57 0.00 4.76 -1.26 0.19 118.16 119.98 1x69 n LYS 58 Ca -0.17 0.05 -0.03 0.00 -2.87 0.00 0.00 58.31 55.29 1x69 n LYS 58 Cb 0.52 -3.83 0.01 0.00 -1.84 0.00 0.00 35.03 29.89 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 -0.66 0.63 3.17 0.72 0.00 -1.26 -5.06 105.19 102.73 1x69 n GLY 59 Ca 0.05 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.97 0.28 -0.28 1.61 0.52 0.50 -5.13 118.95 111.47 1x69 s ARG 60 Ca 0.07 0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 56.10 1x69 s ARG 60 Cb -0.03 0.10 0.03 0.00 0.52 0.00 0.00 34.95 35.57 1x69 s ARG 60 CO 0.11 -0.23 -0.00 -0.47 0.02 0.00 0.00 175.30 174.73 1x69 s TYR 61 N 2.15 3.15 0.22 -0.53 5.04 -1.26 -0.21 117.35 125.91 1x69 s TYR 61 Ca -0.03 -1.50 -0.07 0.00 -2.44 0.00 0.00 57.07 53.03 1x69 s TYR 61 Cb -0.11 -2.13 0.03 0.00 0.35 0.00 0.00 41.96 40.10 1x69 s TYR 61 CO -0.11 -0.71 0.42 0.41 -1.34 0.00 0.00 175.55 174.21 1x69 n GLY 62 N 4.71 1.64 3.77 8.97 0.00 -1.24 -4.96 105.19 118.08 1x69 n GLY 62 Ca -0.15 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.14 0.99 1.43 -0.50 -3.62 118.68 121.32 1x69 s LEU 63 Ca 0.11 1.91 -0.21 0.00 -1.03 0.00 0.00 54.13 54.90 1x69 s LEU 63 Cb -0.02 -3.84 0.05 0.00 0.03 0.00 0.00 46.19 42.41 1x69 s LEU 63 CO 0.08 0.01 0.54 0.72 0.23 0.00 0.00 176.35 177.93 1x69 s PHE 64 N -1.42 -0.55 0.11 0.29 -0.12 -0.16 -2.71 117.98 113.42 1x69 s PHE 64 Ca 0.46 1.21 -0.31 0.00 -0.05 0.00 0.00 56.93 58.24 1x69 s PHE 64 Cb -0.22 0.23 -0.08 0.00 -0.63 0.00 0.00 43.02 42.33 1x69 s PHE 64 CO 0.28 -0.38 1.36 -1.25 -0.05 0.00 0.00 175.22 175.18 1x69 s PRO 65 N -0.30 4.34 0.00 1.99 0.04 -1.26 -0.17 135.00 139.63 1x69 s PRO 65 Ca -0.05 2.03 0.24 0.00 0.04 0.00 0.00 61.00 63.26 1x69 s PRO 65 Cb -0.03 -3.26 1.36 0.00 0.04 0.00 0.00 34.50 32.60 1x69 s PRO 65 CO 0.03 -0.41 1.79 0.00 0.04 0.00 0.00 177.00 178.45 1x69 n ALA 66 N 3.94 2.33 0.08 8.56 0.00 0.06 -2.91 120.51 132.57 1x69 n ALA 66 Ca 0.11 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1x69 n ALA 66 Cb 0.43 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 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 0.27 -0.24 0.00 2.35 -1.91 -3.21 115.58 112.84 1x69 h ASN 67 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1x69 h ASN 67 Cb 0.06 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1x69 h ASN 67 CO 0.00 1.24 0.00 -1.22 -1.65 0.00 0.00 177.43 175.80 1x69 n TYR 68 N -3.45 0.40 -3.89 1.19 4.02 -1.15 -4.85 117.16 109.44 1x69 n TYR 68 Ca -0.07 -0.18 -0.10 0.00 -0.01 0.00 0.00 57.90 57.55 1x69 n TYR 68 Cb 1.00 -0.04 -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 -1.65 0.13 -0.04 -0.72 -7.23 -1.21 -0.48 120.40 109.20 1x69 s VAL 69 Ca 0.17 -1.07 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 1x69 s VAL 69 Cb 0.10 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 1x69 s VAL 69 CO 0.11 -0.59 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.39 1x69 s GLU 70 N -2.92 2.06 -0.15 4.82 2.56 0.85 -4.86 118.70 121.06 1x69 s GLU 70 Ca -0.02 -0.76 -0.29 0.00 0.00 0.00 0.00 54.97 53.89 1x69 s GLU 70 Cb 0.01 -1.81 -0.03 0.00 2.00 0.00 0.00 34.13 34.29 1x69 s GLU 70 CO -0.06 0.35 1.53 -0.51 -0.56 0.00 0.00 175.26 176.01 1x69 s LEU 71 N -0.17 4.13 0.26 2.70 1.43 -1.26 -0.20 118.68 125.56 1x69 s LEU 71 Ca -0.01 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 54.65 1x69 s LEU 71 Cb -0.12 -3.53 -0.14 0.00 0.03 0.00 0.00 46.19 42.43 1x69 s LEU 71 CO 0.02 -1.00 1.16 0.54 0.23 0.00 0.00 176.35 177.30 1x69 n ARG 72 N 7.18 1.54 -3.64 1.70 5.12 -1.04 -4.92 116.66 122.60 1x69 n ARG 72 Ca 0.17 0.54 -0.05 0.00 -1.93 0.00 0.00 57.85 56.58 1x69 n ARG 72 Cb 0.44 -2.02 -0.07 0.00 -1.16 0.00 0.00 32.46 29.65 1x69 n ARG 72 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1x69 s GLN 73 N -1.11 0.35 0.26 5.56 -2.07 -1.26 -4.97 119.66 116.41 1x69 s GLN 73 Ca 0.63 0.49 0.11 0.00 -1.82 0.00 0.00 55.36 54.77 1x69 s GLN 73 Cb -0.71 0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 31.29 1x69 s GLN 73 CO 0.57 -0.05 -0.16 0.45 -1.32 0.00 0.00 175.29 174.77 1x69 s SER 74 N 0.66 3.77 -0.57 12.60 0.15 -1.26 -5.10 113.70 123.96 1x69 s SER 74 Ca -0.01 -0.92 0.04 0.00 0.70 0.00 0.00 55.95 55.75 1x69 s SER 74 Cb -0.04 -0.41 0.16 0.00 -1.71 0.00 0.00 66.02 64.01 1x69 s SER 74 CO -0.11 0.04 0.38 -0.83 1.20 0.00 0.00 173.24 173.92 1x69 s GLY 75 N -3.42 2.27 1.09 9.45 0.00 -1.26 -5.10 107.32 110.35 1x69 s GLY 75 Ca 0.29 -3.23 -0.18 0.00 0.00 0.00 0.00 44.72 41.59 1x69 s GLY 75 CO 0.15 1.38 0.97 -1.55 0.00 0.00 0.00 173.10 174.05 1x69 n PRO 76 N 2.61 -2.91 0.09 2.90 -0.04 -1.26 -4.97 135.00 131.43 1x69 n PRO 76 Ca 0.18 -1.56 -0.10 0.00 -0.04 0.00 0.00 63.50 61.97 1x69 n PRO 76 Cb 0.37 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 1x69 n PRO 76 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1x69 h SER 77 N -2.53 -0.98 -2.53 3.54 0.02 -2.10 -3.30 113.55 105.68 1x69 h SER 77 Ca -0.37 0.10 -0.70 0.00 -0.84 0.00 0.00 61.79 59.99 1x69 h SER 77 Cb 1.12 0.35 -0.18 0.00 0.14 0.00 0.00 62.40 63.83 1x69 h SER 77 CO 0.24 -0.36 0.75 -0.55 -1.14 0.00 0.00 176.83 175.77 1x69 s SER 78 N -3.77 6.61 0.00 3.07 0.15 -1.26 -5.33 113.70 113.16 1x69 s SER 78 Ca -0.10 -2.04 0.00 0.00 0.70 0.00 0.00 55.95 54.50 1x69 s SER 78 Cb 0.04 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1x69 s SER 78 CO 0.38 -1.04 0.12 0.61 1.20 0.00 0.00 173.24 174.50