#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 3.92 -0.39 1.61 0.15 -1.26 -5.04 113.70 112.69 1x69 s SER 2 Ca 0.00 -2.93 0.02 0.00 0.70 0.00 0.00 55.95 53.74 1x69 s SER 2 Cb 0.00 -1.29 0.12 0.00 -1.71 0.00 0.00 66.02 63.14 1x69 s SER 2 CO 0.00 -0.23 0.16 -0.44 1.20 0.00 0.00 173.24 173.93 1x69 s SER 3 N -0.10 4.07 0.00 5.45 0.01 -1.26 -4.96 113.70 116.92 1x69 s SER 3 Ca 0.19 -2.27 0.00 0.00 1.31 0.00 0.00 55.95 55.18 1x69 s SER 3 Cb -0.21 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1x69 s SER 3 CO -0.03 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1x69 n GLY 4 N 4.04 3.94 3.67 3.44 0.00 -1.26 -5.01 105.19 114.00 1x69 n GLY 4 Ca 0.04 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 1x69 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x69 n SER 5 N 0.00 -3.35 -4.72 1.61 2.88 -1.26 -4.93 113.62 103.85 1x69 n SER 5 Ca 0.00 -0.70 -0.35 0.00 -1.33 0.00 0.00 58.87 56.49 1x69 n SER 5 Cb 0.00 -4.48 0.09 0.00 -0.75 0.00 0.00 64.21 59.06 1x69 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x69 s SER 6 N -3.89 4.30 0.00 -3.46 0.01 -1.26 -5.03 113.70 104.36 1x69 s SER 6 Ca 0.28 2.44 0.00 0.00 1.31 0.00 0.00 55.95 59.99 1x69 s SER 6 Cb -0.13 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1x69 s SER 6 CO 0.78 -2.20 0.00 0.61 0.41 0.00 0.00 173.24 172.84 1x69 n GLY 7 N 0.57 0.13 3.37 3.44 0.00 -1.26 -5.10 105.19 106.35 1x69 n GLY 7 Ca 0.14 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 1x69 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x69 s THR 8 N 0.00 1.64 -0.26 2.61 -4.23 -1.26 -5.16 115.64 108.98 1x69 s THR 8 Ca 0.00 -2.17 -0.27 0.00 -1.18 0.00 0.00 61.69 58.07 1x69 s THR 8 Cb 0.00 -2.19 0.17 0.00 1.34 0.00 0.00 72.50 71.81 1x69 s THR 8 CO 0.00 -0.48 1.26 -0.72 -0.54 0.00 0.00 174.62 174.13 1x69 s TYR 9 N -3.03 -0.19 -0.58 3.99 -0.85 -1.26 -5.10 117.35 110.34 1x69 s TYR 9 Ca 0.25 0.39 -0.34 0.00 -0.52 0.00 0.00 57.07 56.85 1x69 s TYR 9 Cb 0.01 0.46 -0.15 0.00 0.38 0.00 0.00 41.96 42.66 1x69 s TYR 9 CO 0.08 -0.13 2.37 -0.40 -1.52 0.00 0.00 175.55 175.95 1x69 n ASP 10 N 1.19 1.41 -1.53 -0.18 5.75 -1.26 -4.76 116.55 117.17 1x69 n ASP 10 Ca -0.07 0.23 -0.05 0.00 -0.01 0.00 0.00 54.79 54.88 1x69 n ASP 10 Cb 0.58 -1.16 0.02 0.00 -1.03 0.00 0.00 41.12 39.52 1x69 n ASP 10 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1x69 n GLU 11 N 8.31 1.25 -3.78 0.11 2.13 -1.26 -4.77 120.64 122.64 1x69 n GLU 11 Ca 0.50 -0.51 -0.15 0.00 0.66 0.00 0.00 57.16 57.66 1x69 n GLU 11 Cb 0.18 -1.20 -0.16 0.00 0.27 0.00 0.00 31.44 30.54 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 -0.58 0.03 0.34 4.31 6.14 -1.26 -5.15 117.35 121.17 1x69 s TYR 12 Ca 0.10 0.12 -0.08 0.00 0.64 0.00 0.00 57.07 57.85 1x69 s TYR 12 Cb 0.08 -0.22 0.03 0.00 0.42 0.00 0.00 41.96 42.27 1x69 s TYR 12 CO 0.00 -0.08 0.59 -0.85 0.64 0.00 0.00 175.55 175.85 1x69 n GLU 13 N 4.11 0.85 -2.23 4.97 0.28 -1.26 -5.01 120.64 122.35 1x69 n GLU 13 Ca -0.27 -2.23 -0.04 0.00 -0.16 0.00 0.00 57.16 54.46 1x69 n GLU 13 Cb 0.51 2.46 0.02 0.00 1.43 0.00 0.00 31.44 35.86 1x69 n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1x69 n ASN 14 N -1.56 -2.45 -3.36 -1.84 2.85 -1.26 -5.07 115.26 102.57 1x69 n ASN 14 Ca -0.04 -0.17 -0.04 0.00 -0.11 0.00 0.00 54.58 54.22 1x69 n ASN 14 Cb 0.53 -1.75 -0.05 0.00 1.24 0.00 0.00 39.78 39.75 1x69 n ASN 14 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1x69 s ASP 15 N -3.27 -0.55 0.04 1.20 1.11 -1.26 -5.03 116.67 108.91 1x69 s ASP 15 Ca 0.04 0.72 -0.15 0.00 0.18 0.00 0.00 52.55 53.34 1x69 s ASP 15 Cb -0.01 1.64 -0.34 0.00 1.07 0.00 0.00 42.92 45.28 1x69 s ASP 15 CO 0.20 -0.27 1.03 -0.07 1.18 0.00 0.00 175.17 177.24 1x69 h LEU 16 N 8.10 0.85 0.00 1.23 4.07 -1.97 -3.46 115.31 124.13 1x69 h LEU 16 Ca -0.20 -0.89 0.00 0.00 0.08 0.00 0.00 57.88 56.88 1x69 h LEU 16 Cb 1.14 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1x69 h LEU 16 CO 0.23 1.69 0.00 0.61 -1.08 0.00 0.00 178.44 179.88 1x69 n GLY 17 N 1.64 0.55 3.74 0.83 0.00 -1.26 0.86 105.19 111.55 1x69 n GLY 17 Ca -0.16 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 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 4.18 0.15 -0.61 1.01 -1.26 -4.08 121.20 120.59 1x69 s ILE 18 Ca 0.00 2.08 0.07 0.00 0.00 0.00 0.00 60.65 62.80 1x69 s ILE 18 Cb 0.00 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1x69 s ILE 18 CO 0.00 0.45 -0.15 0.42 0.00 0.00 0.00 174.94 175.67 1x69 s THR 19 N -0.89 1.54 0.26 2.92 -4.23 -1.26 -1.77 115.64 112.20 1x69 s THR 19 Ca 0.42 -1.91 -0.10 0.00 -1.18 0.00 0.00 61.69 58.93 1x69 s THR 19 Cb -0.25 -1.76 -0.01 0.00 1.34 0.00 0.00 72.50 71.83 1x69 s THR 19 CO 0.31 -0.46 0.44 0.00 -0.54 0.00 0.00 174.62 174.38 1x69 s ALA 20 N -2.40 0.06 -0.12 3.99 0.00 -1.15 -3.10 121.76 119.04 1x69 s ALA 20 Ca 0.14 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1x69 s ALA 20 Cb -0.04 1.11 0.02 0.00 0.00 0.00 0.00 23.12 24.22 1x69 s ALA 20 CO 0.05 -0.82 -0.14 0.54 0.00 0.00 0.00 175.76 175.39 1x69 s VAL 21 N -3.87 1.42 0.41 0.00 0.11 0.33 -2.41 120.40 116.39 1x69 s VAL 21 Ca 0.25 -0.57 -0.27 0.00 -2.93 0.00 0.00 61.98 58.46 1x69 s VAL 21 Cb 0.00 -1.33 -0.10 0.00 -1.53 0.00 0.00 36.38 33.43 1x69 s VAL 21 CO 0.11 0.43 1.45 0.00 -3.33 0.00 0.00 175.10 173.76 1x69 s ALA 22 N 1.21 3.41 -0.23 1.54 0.00 -1.09 -1.69 121.76 124.91 1x69 s ALA 22 Ca -0.02 1.52 -0.02 0.00 0.00 0.00 0.00 51.96 53.44 1x69 s ALA 22 Cb -0.14 -3.60 -0.19 0.00 0.00 0.00 0.00 23.12 19.20 1x69 s ALA 22 CO -0.05 -1.11 -0.10 1.28 0.00 0.00 0.00 175.76 175.78 1x69 n LEU 23 N 0.15 2.80 -4.15 0.00 4.77 0.24 -0.21 117.00 120.59 1x69 n LEU 23 Ca 0.03 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 1x69 n LEU 23 Cb 0.40 -0.95 -0.11 0.00 -2.33 0.00 0.00 43.42 40.44 1x69 n LEU 23 CO 0.61 0.88 -0.41 -0.31 -1.33 0.00 0.00 177.39 176.82 1x69 s TYR 24 N -2.52 0.99 0.40 -1.77 1.51 -1.23 -4.57 117.35 110.15 1x69 s TYR 24 Ca -0.32 -0.63 -0.27 0.00 -1.01 0.00 0.00 57.07 54.83 1x69 s TYR 24 Cb 0.09 -0.55 -0.10 0.00 -0.11 0.00 0.00 41.96 41.29 1x69 s TYR 24 CO 0.63 -0.03 1.44 -0.40 -1.11 0.00 0.00 175.55 176.08 1x69 n ASP 25 N 0.73 3.47 -3.72 2.29 5.68 -1.26 -4.44 116.55 119.31 1x69 n ASP 25 Ca -0.17 1.18 -0.16 0.00 -0.50 0.00 0.00 54.79 55.14 1x69 n ASP 25 Cb 0.57 -1.60 -0.15 0.00 -1.14 0.00 0.00 41.12 38.80 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 -1.15 -0.12 -0.43 2.11 6.14 -1.11 -4.96 117.35 117.84 1x69 s TYR 26 Ca 0.57 0.45 0.02 0.00 0.64 0.00 0.00 57.07 58.74 1x69 s TYR 26 Cb -0.48 -0.21 0.12 0.00 0.42 0.00 0.00 41.96 41.81 1x69 s TYR 26 CO 0.61 -0.19 0.17 1.14 0.64 0.00 0.00 175.55 177.92 1x69 s GLN 27 N 1.64 1.82 0.22 4.97 -2.07 -1.26 -1.77 119.66 123.21 1x69 s GLN 27 Ca -0.04 -2.11 -0.19 0.00 -1.82 0.00 0.00 55.36 51.20 1x69 s GLN 27 Cb -0.12 -3.37 -0.12 0.00 -1.09 0.00 0.00 33.01 28.31 1x69 s GLN 27 CO -0.05 -1.03 0.24 0.00 -1.32 0.00 0.00 175.29 173.12 1x69 n ALA 28 N 3.97 -2.50 0.10 2.60 0.00 -1.23 -4.88 120.51 118.57 1x69 n ALA 28 Ca 0.03 0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.46 1x69 n ALA 28 Cb 0.39 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.53 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 0.51 0.04 -3.00 0.00 0.00 -1.92 -3.47 119.26 111.42 1x69 h ALA 29 Ca -0.24 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1x69 h ALA 29 Cb 1.09 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1x69 h ALA 29 CO 0.39 0.90 0.00 0.41 0.00 0.00 0.00 179.25 180.96 1x69 n GLY 30 N 1.78 6.32 0.13 0.00 0.00 -1.26 -5.06 105.19 107.10 1x69 n GLY 30 Ca -0.21 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 1x69 n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x69 h ASP 31 N 0.00 0.55 -0.32 1.61 5.19 -2.03 -3.36 116.42 118.07 1x69 h ASP 31 Ca 0.00 -0.91 0.06 0.00 -0.62 0.00 0.00 57.03 55.56 1x69 h ASP 31 Cb 0.00 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.27 1x69 h ASP 31 CO 0.00 1.66 -0.07 0.44 -3.12 0.00 0.00 179.24 178.15 1x69 h ASP 32 N -0.11 -0.27 -4.20 6.45 5.19 -1.96 -3.42 116.42 118.10 1x69 h ASP 32 Ca -0.29 0.09 -0.51 0.00 -0.62 0.00 0.00 57.03 55.71 1x69 h ASP 32 Cb 1.92 0.18 0.10 0.00 0.18 0.00 0.00 39.33 41.71 1x69 h ASP 32 CO 0.15 -0.09 0.37 -1.61 -3.12 0.00 0.00 179.24 174.94 1x69 s GLU 33 N -6.21 2.89 0.11 3.56 2.02 -1.26 -1.56 118.70 118.25 1x69 s GLU 33 Ca -0.14 1.34 0.09 0.00 0.02 0.00 0.00 54.97 56.29 1x69 s GLU 33 Cb 0.13 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 1x69 s GLU 33 CO 0.70 -1.17 -0.22 0.96 0.02 0.00 0.00 175.26 175.55 1x69 s ILE 34 N -2.39 2.57 -0.22 -1.63 -4.36 -1.08 -4.74 121.20 109.35 1x69 s ILE 34 Ca 0.66 -1.55 -0.05 0.00 -0.26 0.00 0.00 60.65 59.45 1x69 s ILE 34 Cb -0.19 -2.14 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 1x69 s ILE 34 CO 0.41 0.15 -0.01 -0.94 0.24 0.00 0.00 174.94 174.79 1x69 s SER 35 N -1.95 4.59 0.03 4.36 1.04 -1.26 -3.58 113.70 116.93 1x69 s SER 35 Ca 0.16 -0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.33 1x69 s SER 35 Cb -0.10 -1.79 -0.02 0.00 0.10 0.00 0.00 66.02 64.20 1x69 s SER 35 CO 0.07 0.01 -0.14 0.72 0.98 0.00 0.00 173.24 174.88 1x69 s PHE 36 N 1.34 1.19 0.66 5.02 -0.12 -0.73 -4.92 117.98 120.42 1x69 s PHE 36 Ca 0.04 -0.34 -0.14 0.00 -0.05 0.00 0.00 56.93 56.45 1x69 s PHE 36 Cb -0.15 -0.71 -0.00 0.00 -0.63 0.00 0.00 43.02 41.53 1x69 s PHE 36 CO -0.00 0.02 1.08 -0.51 -0.05 0.00 0.00 175.22 175.76 1x69 s ASP 37 N -1.03 5.28 0.28 1.98 1.01 -1.26 -2.77 116.67 120.17 1x69 s ASP 37 Ca 0.02 1.87 -0.29 0.00 0.71 0.00 0.00 52.55 54.85 1x69 s ASP 37 Cb -0.07 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 1x69 s ASP 37 CO 0.01 -1.51 1.25 -2.16 0.21 0.00 0.00 175.17 172.97 1x69 s PRO 38 N -4.32 4.45 -0.49 8.23 0.04 -1.26 -3.07 135.00 138.58 1x69 s PRO 38 Ca 0.64 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1x69 s PRO 38 Cb -0.18 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1x69 s PRO 38 CO 0.44 -0.09 0.00 -3.47 0.04 0.00 0.00 177.00 173.92 1x69 n ASP 39 N 1.40 -2.72 -4.82 6.66 2.03 0.70 -4.96 116.55 114.84 1x69 n ASP 39 Ca 0.01 0.04 -0.22 0.00 0.52 0.00 0.00 54.79 55.14 1x69 n ASP 39 Cb 0.43 -1.61 0.08 0.00 -0.72 0.00 0.00 41.12 39.30 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 -2.83 4.73 -0.10 1.67 1.11 -1.17 -4.80 116.67 115.28 1x69 s ASP 40 Ca 0.00 -0.42 0.03 0.00 0.18 0.00 0.00 52.55 52.35 1x69 s ASP 40 Cb 0.00 -0.11 -0.00 0.00 1.07 0.00 0.00 42.92 43.87 1x69 s ASP 40 CO 0.00 -1.58 -0.22 -0.63 1.18 0.00 0.00 175.17 173.93 1x69 s ILE 41 N -2.94 2.28 -0.04 0.77 -1.09 -1.26 -2.68 121.20 116.24 1x69 s ILE 41 Ca 0.63 -0.95 0.06 0.00 -2.23 0.00 0.00 60.65 58.17 1x69 s ILE 41 Cb -0.06 -1.88 -0.02 0.00 -1.58 0.00 0.00 42.46 38.92 1x69 s ILE 41 CO 0.42 0.55 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.81 1x69 s ILE 42 N 0.25 2.17 0.38 2.92 1.09 -1.01 -4.73 121.20 122.26 1x69 s ILE 42 Ca -0.15 -1.04 0.08 0.00 -1.10 0.00 0.00 60.65 58.44 1x69 s ILE 42 Cb -0.17 -1.78 -0.06 0.00 -1.06 0.00 0.00 42.46 39.40 1x69 s ILE 42 CO 0.07 0.57 0.09 0.42 -0.10 0.00 0.00 174.94 175.99 1x69 s THR 43 N -0.38 2.41 -1.34 2.92 -4.23 -1.20 -2.93 115.64 110.90 1x69 s THR 43 Ca 0.03 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1x69 s THR 43 Cb -0.12 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.81 1x69 s THR 43 CO 0.02 -0.09 0.68 0.59 -0.54 0.00 0.00 174.62 175.28 1x69 n ASN 44 N -1.08 -1.31 -4.62 3.99 5.03 0.25 -1.70 115.26 115.82 1x69 n ASN 44 Ca -0.03 -0.84 -0.43 0.00 0.87 0.00 0.00 54.58 54.15 1x69 n ASN 44 Cb 0.64 -3.92 -0.02 0.00 -1.02 0.00 0.00 39.78 35.46 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 -3.68 4.10 -0.49 2.41 1.01 -0.73 -3.95 121.20 119.88 1x69 s ILE 45 Ca 0.05 1.19 -0.07 0.00 0.00 0.00 0.00 60.65 61.83 1x69 s ILE 45 Cb -0.03 -4.26 0.13 0.00 0.01 0.00 0.00 42.46 38.31 1x69 s ILE 45 CO 0.82 -0.65 0.34 -1.61 0.00 0.00 0.00 174.94 173.84 1x69 s GLU 46 N 4.42 2.41 -0.46 2.79 8.01 0.12 -4.46 118.70 131.54 1x69 s GLU 46 Ca 0.56 -1.90 -0.27 0.00 0.01 0.00 0.00 54.97 53.37 1x69 s GLU 46 Cb -0.14 -3.84 -0.07 0.00 -4.31 0.00 0.00 34.13 25.77 1x69 s GLU 46 CO 0.27 -1.17 2.39 -1.33 0.01 0.00 0.00 175.26 175.44 1x69 n MET 47 N 4.62 1.16 0.06 1.61 2.81 -1.26 -1.30 117.12 124.82 1x69 n MET 47 Ca -0.04 0.08 -0.04 0.00 -1.81 0.00 0.00 57.70 55.90 1x69 n MET 47 Cb 0.41 -3.36 -0.02 0.00 -0.71 0.00 0.00 33.22 29.54 1x69 n MET 47 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1x69 h ILE 48 N 7.62 0.00 -4.41 2.02 1.08 -1.87 -3.48 117.51 118.47 1x69 h ILE 48 Ca -0.26 -0.65 -0.31 0.00 -0.39 0.00 0.00 64.86 63.25 1x69 h ILE 48 Cb 1.27 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.96 1x69 h ILE 48 CO 1.13 0.00 -0.23 0.47 -0.69 0.00 0.00 178.15 178.83 1x69 n ASP 49 N -4.44 2.40 -1.56 1.72 8.00 -0.46 -5.02 116.55 117.20 1x69 n ASP 49 Ca -0.03 -2.07 -0.09 0.00 0.71 0.00 0.00 54.79 53.31 1x69 n ASP 49 Cb 0.09 0.23 0.05 0.00 -0.02 0.00 0.00 41.12 41.47 1x69 n ASP 49 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1x69 n ASP 50 N -1.26 4.44 0.00 -2.24 9.92 -1.26 -3.96 116.55 122.20 1x69 n ASP 50 Ca -0.09 -2.67 0.00 0.00 -0.53 0.00 0.00 54.79 51.50 1x69 n ASP 50 Cb 0.31 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 1x69 n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x69 n GLY 51 N 0.26 0.07 3.16 0.44 0.00 -1.26 -5.07 105.19 102.80 1x69 n GLY 51 Ca 0.20 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.79 2.09 0.36 1.61 0.52 -1.25 -1.43 118.94 120.05 1x69 s TRP 52 Ca 0.00 -0.75 0.09 0.00 0.02 0.00 0.00 56.10 55.46 1x69 s TRP 52 Cb 0.00 -1.41 -0.06 0.00 -1.15 0.00 0.00 33.47 30.84 1x69 s TRP 52 CO 0.00 -0.29 -0.02 -1.58 0.02 0.00 0.00 176.95 175.07 1x69 s TRP 53 N 0.26 2.48 -0.18 -1.98 0.51 0.87 -1.35 118.94 119.56 1x69 s TRP 53 Ca -0.12 -0.51 -0.00 0.00 -2.12 0.00 0.00 56.10 53.35 1x69 s TRP 53 Cb -0.15 -1.52 0.04 0.00 -0.81 0.00 0.00 33.47 31.03 1x69 s TRP 53 CO 0.05 0.50 -0.07 1.03 -0.51 0.00 0.00 176.95 177.96 1x69 s ARG 54 N -3.68 1.61 0.16 4.98 0.52 -0.42 -0.80 118.95 121.32 1x69 s ARG 54 Ca 0.34 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1x69 s ARG 54 Cb 0.03 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 1x69 s ARG 54 CO 0.18 -0.44 0.09 0.20 0.02 0.00 0.00 175.30 175.35 1x69 s GLY 55 N 1.56 1.15 -0.52 -3.53 0.00 -1.24 0.12 107.32 104.86 1x69 s GLY 55 Ca -0.00 -1.54 -0.20 0.00 0.00 0.00 0.00 44.72 42.97 1x69 s GLY 55 CO -0.08 -1.36 0.69 0.14 0.00 0.00 0.00 173.10 172.49 1x69 s VAL 56 N -4.09 4.78 -0.08 1.40 1.01 -0.69 -3.55 120.40 119.17 1x69 s VAL 56 Ca 0.30 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1x69 s VAL 56 Cb 0.07 -4.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1x69 s VAL 56 CO 0.06 -0.89 -0.17 0.00 0.00 0.00 0.00 175.10 174.10 1x69 n LYS 58 N 2.91 -1.84 -2.58 0.00 4.76 -1.26 0.12 118.16 120.28 1x69 n LYS 58 Ca -0.18 0.07 -0.04 0.00 -2.87 0.00 0.00 58.31 55.30 1x69 n LYS 58 Cb 0.52 -4.46 0.01 0.00 -1.84 0.00 0.00 35.03 29.26 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 -0.76 0.64 3.18 0.72 0.00 -1.26 -5.06 105.19 102.65 1x69 n GLY 59 Ca 0.06 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.00 0.28 -0.31 1.61 0.52 0.33 -5.13 118.95 111.26 1x69 s ARG 60 Ca 0.07 0.86 -0.04 0.00 -0.52 0.00 0.00 55.73 56.11 1x69 s ARG 60 Cb -0.03 0.12 0.04 0.00 0.52 0.00 0.00 34.95 35.60 1x69 s ARG 60 CO 0.11 -0.23 0.03 -0.47 0.02 0.00 0.00 175.30 174.76 1x69 s TYR 61 N 2.19 3.22 0.14 -0.53 5.04 -1.26 -0.14 117.35 126.02 1x69 s TYR 61 Ca -0.03 -1.60 -0.04 0.00 -2.44 0.00 0.00 57.07 52.95 1x69 s TYR 61 Cb -0.11 -2.17 0.02 0.00 0.35 0.00 0.00 41.96 40.05 1x69 s TYR 61 CO -0.11 -0.75 0.26 0.41 -1.34 0.00 0.00 175.55 174.02 1x69 n GLY 62 N 4.71 1.93 3.75 8.97 0.00 -1.23 -4.96 105.19 118.36 1x69 n GLY 62 Ca -0.13 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 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 4.60 -0.13 0.99 1.43 -0.60 -3.61 118.68 121.36 1x69 s LEU 63 Ca 0.07 1.98 -0.17 0.00 -1.03 0.00 0.00 54.13 54.97 1x69 s LEU 63 Cb -0.01 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.64 1x69 s LEU 63 CO 0.05 0.06 0.46 0.72 0.23 0.00 0.00 176.35 177.88 1x69 s PHE 64 N -0.94 -0.46 0.18 0.29 -0.12 0.02 -2.64 117.98 114.30 1x69 s PHE 64 Ca 0.43 1.06 -0.30 0.00 -0.05 0.00 0.00 56.93 58.06 1x69 s PHE 64 Cb -0.27 0.18 -0.08 0.00 -0.63 0.00 0.00 43.02 42.22 1x69 s PHE 64 CO 0.33 -0.31 1.31 -1.25 -0.05 0.00 0.00 175.22 175.25 1x69 s PRO 65 N -0.19 4.38 0.00 1.99 0.04 -1.26 -0.09 135.00 139.87 1x69 s PRO 65 Ca -0.04 2.04 0.27 0.00 0.04 0.00 0.00 61.00 63.31 1x69 s PRO 65 Cb -0.03 -3.21 1.47 0.00 0.04 0.00 0.00 34.50 32.77 1x69 s PRO 65 CO 0.02 -0.28 1.92 0.00 0.04 0.00 0.00 177.00 178.71 1x69 n ALA 66 N 2.86 2.41 0.12 8.56 0.00 -0.51 -3.20 120.51 130.75 1x69 n ALA 66 Ca 0.07 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1x69 n ALA 66 Cb 0.43 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 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 0.77 -0.03 0.00 4.21 -1.91 -3.19 115.58 115.42 1x69 h ASN 67 Ca 0.00 -0.78 0.00 0.00 1.21 0.00 0.00 56.30 56.73 1x69 h ASN 67 Cb 0.11 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.06 1x69 h ASN 67 CO 0.00 1.60 0.00 -1.22 -1.29 0.00 0.00 177.43 176.52 1x69 n TYR 68 N -3.71 0.06 -3.96 1.19 4.02 -1.19 -4.81 117.16 108.76 1x69 n TYR 68 Ca -0.14 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.90 57.63 1x69 n TYR 68 Cb 1.04 -0.04 -0.07 0.00 -0.02 0.00 0.00 39.34 40.26 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 -1.69 0.06 0.01 -0.72 -7.23 -1.21 -0.59 120.40 109.04 1x69 s VAL 69 Ca 0.02 -1.38 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1x69 s VAL 69 Cb 0.01 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 35.10 1x69 s VAL 69 CO 0.01 -0.29 0.00 -0.70 -0.31 0.00 0.00 175.10 173.81 1x69 s GLU 70 N -3.97 0.22 0.01 4.82 2.12 -0.68 -4.85 118.70 116.38 1x69 s GLU 70 Ca 0.17 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.84 1x69 s GLU 70 Cb 0.03 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 1x69 s GLU 70 CO 0.00 -0.04 1.08 -0.51 -0.54 0.00 0.00 175.26 175.25 1x69 s LEU 71 N -0.92 4.35 0.71 2.70 1.43 -1.26 -0.52 118.68 125.17 1x69 s LEU 71 Ca -0.10 1.79 -0.10 0.00 -1.03 0.00 0.00 54.13 54.69 1x69 s LEU 71 Cb -0.06 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.62 1x69 s LEU 71 CO -0.00 -0.37 1.06 -0.13 0.23 0.00 0.00 176.35 177.14 1x69 s ARG 72 N 1.20 2.53 0.19 1.70 0.52 -1.18 -4.92 118.95 118.99 1x69 s ARG 72 Ca 0.54 0.15 0.08 0.00 -0.52 0.00 0.00 55.73 55.98 1x69 s ARG 72 Cb -0.24 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 1x69 s ARG 72 CO 0.27 -1.14 0.01 -0.65 0.02 0.00 0.00 175.30 173.81 1x69 s GLN 73 N -5.32 2.41 -1.14 3.54 -1.52 -1.26 -4.63 119.66 111.75 1x69 s GLN 73 Ca 0.59 -1.14 -0.06 0.00 -1.95 0.00 0.00 55.36 52.80 1x69 s GLN 73 Cb -0.11 -2.35 0.01 0.00 -0.22 0.00 0.00 33.01 30.34 1x69 s GLN 73 CO 0.48 0.44 0.98 0.43 -0.25 0.00 0.00 175.29 177.38 1x69 n SER 74 N -0.25 -4.78 -4.82 5.90 7.64 -1.26 -4.99 113.62 111.06 1x69 n SER 74 Ca -0.09 -0.48 -0.29 0.00 1.01 0.00 0.00 58.87 59.01 1x69 n SER 74 Cb 0.56 -4.44 0.10 0.00 -1.01 0.00 0.00 64.21 59.42 1x69 n SER 74 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x69 s GLY 75 N -3.52 1.60 0.00 0.23 0.00 -1.26 -4.92 107.32 99.45 1x69 s GLY 75 Ca 0.37 -0.40 0.15 0.00 0.00 0.00 0.00 44.72 44.84 1x69 s GLY 75 CO 0.63 0.08 1.39 -1.55 0.00 0.00 0.00 173.10 173.64 1x69 n PRO 76 N -3.49 0.30 -0.03 2.90 -0.04 -1.26 -3.32 135.00 130.06 1x69 n PRO 76 Ca 0.07 0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1x69 n PRO 76 Cb 0.58 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 1x69 n PRO 76 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x69 h SER 77 N 0.00 0.18 -0.78 3.54 0.87 -1.92 -3.14 113.55 112.30 1x69 h SER 77 Ca 0.00 -0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.58 1x69 h SER 77 Cb 0.09 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 61.91 1x69 h SER 77 CO 0.00 0.17 -0.46 -0.24 -0.53 0.00 0.00 176.83 175.77 1x69 n SER 78 N -4.96 -0.83 -0.08 6.23 2.88 -1.21 -5.04 113.62 110.62 1x69 n SER 78 Ca -0.04 1.51 0.16 0.00 -1.33 0.00 0.00 58.87 59.16 1x69 n SER 78 Cb 0.05 -0.24 0.88 0.00 -0.75 0.00 0.00 64.21 64.15 1x69 n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42