#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 3.77 -0.18 1.61 0.01 -1.26 -5.09 113.70 112.56 1x69 s SER 2 Ca 0.00 -1.12 -0.03 0.00 1.31 0.00 0.00 55.95 56.11 1x69 s SER 2 Cb 0.00 -1.20 0.06 0.00 0.21 0.00 0.00 66.02 65.09 1x69 s SER 2 CO 0.00 -0.21 0.05 -0.94 0.41 0.00 0.00 173.24 172.55 1x69 s SER 3 N 1.39 2.65 -0.14 2.44 1.04 -1.26 -5.12 113.70 114.71 1x69 s SER 3 Ca -0.05 -0.71 -0.06 0.00 0.48 0.00 0.00 55.95 55.61 1x69 s SER 3 Cb -0.18 -0.47 0.06 0.00 0.10 0.00 0.00 66.02 65.52 1x69 s SER 3 CO -0.06 -0.31 0.29 -0.83 0.98 0.00 0.00 173.24 173.31 1x69 s GLY 4 N 1.95 -0.18 -0.42 7.32 0.00 -1.26 -5.11 107.32 109.63 1x69 s GLY 4 Ca 0.00 1.09 0.02 0.00 0.00 0.00 0.00 44.72 45.83 1x69 s GLY 4 CO -0.08 1.80 0.20 -1.35 0.00 0.00 0.00 173.10 173.67 1x69 s SER 5 N 2.02 3.92 -0.13 1.64 1.04 -1.26 -4.95 113.70 115.98 1x69 s SER 5 Ca -0.03 -2.49 -0.18 0.00 0.48 0.00 0.00 55.95 53.73 1x69 s SER 5 Cb -0.11 -1.16 -0.26 0.00 0.10 0.00 0.00 66.02 64.59 1x69 s SER 5 CO -0.10 -0.29 0.51 0.77 0.98 0.00 0.00 173.24 175.11 1x69 h SER 6 N 6.98 0.28 0.00 7.02 4.64 -1.99 -3.51 113.55 126.98 1x69 h SER 6 Ca -0.04 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.47 1x69 h SER 6 Cb 0.94 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1x69 h SER 6 CO 0.52 1.55 0.00 0.61 -0.87 0.00 0.00 176.83 178.64 1x69 n GLY 7 N 1.68 -0.25 3.13 -0.77 0.00 -1.26 -5.03 105.19 102.69 1x69 n GLY 7 Ca -0.25 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.34 4.23 -0.28 2.61 -4.23 -1.26 -5.00 115.64 111.37 1x69 s THR 8 Ca 0.00 -3.26 -0.26 0.00 -1.18 0.00 0.00 61.69 56.99 1x69 s THR 8 Cb 0.00 -3.68 0.16 0.00 1.34 0.00 0.00 72.50 70.32 1x69 s THR 8 CO 0.00 -0.98 1.24 -0.47 -0.54 0.00 0.00 174.62 173.87 1x69 s TYR 9 N -0.55 -0.24 -0.46 3.99 6.14 -1.26 -5.12 117.35 119.84 1x69 s TYR 9 Ca 0.21 0.55 0.01 0.00 0.64 0.00 0.00 57.07 58.48 1x69 s TYR 9 Cb -0.14 0.44 0.12 0.00 0.42 0.00 0.00 41.96 42.80 1x69 s TYR 9 CO -0.07 -0.13 0.22 0.16 0.64 0.00 0.00 175.55 176.37 1x69 s ASP 10 N -0.13 4.90 -0.28 4.32 -4.77 -1.26 -4.91 116.67 114.55 1x69 s ASP 10 Ca 0.05 -2.47 0.18 0.00 -3.30 0.00 0.00 52.55 47.01 1x69 s ASP 10 Cb -0.04 -1.74 0.49 0.00 -1.09 0.00 0.00 42.92 40.54 1x69 s ASP 10 CO -0.10 -0.39 1.11 -1.84 0.70 0.00 0.00 175.17 174.66 1x69 n GLU 11 N 3.92 2.22 -0.22 2.11 0.28 -1.26 -4.93 120.64 122.76 1x69 n GLU 11 Ca 0.03 -3.69 -0.11 0.00 -0.16 0.00 0.00 57.16 53.23 1x69 n GLU 11 Cb 0.39 -1.77 -0.07 0.00 1.43 0.00 0.00 31.44 31.42 1x69 n GLU 11 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 1x69 h TYR 12 N 2.54 -1.52 -2.86 -1.84 3.20 -2.08 -3.45 116.97 110.95 1x69 h TYR 12 Ca 0.01 0.09 0.08 0.00 3.14 0.00 0.00 58.73 62.05 1x69 h TYR 12 Cb 1.31 0.74 -0.05 0.00 1.54 0.00 0.00 36.73 40.28 1x69 h TYR 12 CO 0.60 -0.44 0.30 -1.21 -1.64 0.00 0.00 178.16 175.77 1x69 s GLU 13 N -5.72 1.73 -0.02 1.82 2.02 -1.26 -5.17 118.70 112.09 1x69 s GLU 13 Ca -0.14 -0.99 0.07 0.00 0.02 0.00 0.00 54.97 53.93 1x69 s GLU 13 Cb 0.11 0.57 -0.02 0.00 0.10 0.00 0.00 34.13 34.89 1x69 s GLU 13 CO 0.64 -0.80 -0.23 1.21 0.02 0.00 0.00 175.26 176.10 1x69 s ASN 14 N -2.96 2.77 -0.12 -0.19 2.47 -1.26 -5.13 114.94 110.51 1x69 s ASN 14 Ca 0.12 -0.43 0.01 0.00 0.42 0.00 0.00 52.86 52.98 1x69 s ASN 14 Cb -0.05 -0.36 0.02 0.00 -1.45 0.00 0.00 41.25 39.41 1x69 s ASN 14 CO 0.07 0.28 -0.14 1.51 -3.72 0.00 0.00 177.10 175.10 1x69 s ASP 15 N -0.50 2.50 -0.12 -4.21 -4.77 -1.26 -5.00 116.67 103.32 1x69 s ASP 15 Ca 0.08 -0.44 -0.03 0.00 -3.30 0.00 0.00 52.55 48.86 1x69 s ASP 15 Cb -0.10 -1.10 -0.06 0.00 -1.09 0.00 0.00 42.92 40.58 1x69 s ASP 15 CO -0.00 -0.02 -0.13 0.18 0.70 0.00 0.00 175.17 175.89 1x69 n LEU 16 N 4.48 1.71 0.00 2.11 4.77 -1.26 -4.83 117.00 123.98 1x69 n LEU 16 Ca -0.18 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1x69 n LEU 16 Cb 0.51 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1x69 n LEU 16 CO 0.22 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1x69 n GLY 17 N 2.54 -0.05 3.71 -0.72 0.00 -1.26 0.14 105.19 109.54 1x69 n GLY 17 Ca -0.22 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 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 3.74 0.27 -0.61 1.01 -1.26 -4.72 121.20 119.62 1x69 s ILE 18 Ca 0.00 1.21 0.10 0.00 0.00 0.00 0.00 60.65 61.96 1x69 s ILE 18 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1x69 s ILE 18 CO 0.00 0.06 -0.04 0.42 0.00 0.00 0.00 174.94 175.38 1x69 s THR 19 N 1.48 3.28 0.16 2.92 -4.23 -1.26 -1.50 115.64 116.49 1x69 s THR 19 Ca 0.62 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 1x69 s THR 19 Cb -0.32 -2.75 0.03 0.00 1.34 0.00 0.00 72.50 70.80 1x69 s THR 19 CO 0.28 -0.38 0.45 0.00 -0.54 0.00 0.00 174.62 174.44 1x69 s ALA 20 N -2.35 -0.88 -0.05 3.99 0.00 -1.01 -2.62 121.76 118.84 1x69 s ALA 20 Ca 0.31 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.15 1x69 s ALA 20 Cb -0.06 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1x69 s ALA 20 CO 0.19 -0.72 -0.23 0.54 0.00 0.00 0.00 175.76 175.55 1x69 s VAL 21 N -3.85 1.85 0.50 0.00 0.11 0.45 -1.05 120.40 118.41 1x69 s VAL 21 Ca 0.07 -0.96 -0.21 0.00 -2.93 0.00 0.00 61.98 57.95 1x69 s VAL 21 Cb 0.01 -1.57 -0.07 0.00 -1.53 0.00 0.00 36.38 33.22 1x69 s VAL 21 CO -0.07 0.52 1.12 0.00 -3.33 0.00 0.00 175.10 173.34 1x69 s ALA 22 N -0.13 2.83 -0.13 1.54 0.00 -0.86 -0.03 121.76 124.97 1x69 s ALA 22 Ca -0.03 0.82 0.10 0.00 0.00 0.00 0.00 51.96 52.85 1x69 s ALA 22 Cb -0.13 -3.35 -0.15 0.00 0.00 0.00 0.00 23.12 19.49 1x69 s ALA 22 CO 0.03 -0.63 0.02 1.28 0.00 0.00 0.00 175.76 176.46 1x69 n LEU 23 N -0.93 0.37 -3.90 0.00 4.77 0.30 -0.73 117.00 116.89 1x69 n LEU 23 Ca 0.10 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1x69 n LEU 23 Cb 0.50 0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1x69 n LEU 23 CO 0.44 0.38 -0.22 -0.31 -1.33 0.00 0.00 177.39 176.34 1x69 s TYR 24 N -2.32 0.09 0.20 -1.77 1.51 -1.23 -4.61 117.35 109.22 1x69 s TYR 24 Ca -0.08 -0.22 -0.32 0.00 -1.01 0.00 0.00 57.07 55.44 1x69 s TYR 24 Cb 0.04 -0.08 -0.12 0.00 -0.11 0.00 0.00 41.96 41.69 1x69 s TYR 24 CO 0.51 -0.26 1.73 -0.40 -1.11 0.00 0.00 175.55 176.03 1x69 n ASP 25 N 1.53 3.99 -4.49 2.29 5.68 -1.26 -4.46 116.55 119.83 1x69 n ASP 25 Ca -0.23 1.05 -0.25 0.00 -0.50 0.00 0.00 54.79 54.86 1x69 n ASP 25 Cb 0.55 -1.57 -0.10 0.00 -1.14 0.00 0.00 41.12 38.86 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 1.33 2.39 -0.31 2.11 6.14 -1.02 -4.97 117.35 123.02 1x69 s TYR 26 Ca 0.76 -0.31 -0.01 0.00 0.64 0.00 0.00 57.07 58.14 1x69 s TYR 26 Cb -0.51 -1.11 0.10 0.00 0.42 0.00 0.00 41.96 40.86 1x69 s TYR 26 CO 0.33 0.60 0.11 -0.65 0.64 0.00 0.00 175.55 176.58 1x69 s GLN 27 N -3.11 0.62 -0.48 4.97 1.11 -1.26 -3.75 119.66 117.76 1x69 s GLN 27 Ca 0.26 -1.00 -0.45 0.00 0.01 0.00 0.00 55.36 54.18 1x69 s GLN 27 Cb -0.07 -1.82 -0.19 0.00 -1.01 0.00 0.00 33.01 29.92 1x69 s GLN 27 CO 0.14 -1.00 1.56 0.00 0.01 0.00 0.00 175.29 176.00 1x69 n ALA 28 N 4.87 -1.19 0.50 6.09 0.00 -1.25 -4.79 120.51 124.74 1x69 n ALA 28 Ca -0.02 0.46 0.05 0.00 0.00 0.00 0.00 53.44 53.92 1x69 n ALA 28 Cb 0.42 -1.84 0.18 0.00 0.00 0.00 0.00 19.45 18.20 1x69 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x69 n ALA 29 N 4.06 2.76 -3.65 0.00 0.00 -1.26 -4.88 120.51 117.54 1x69 n ALA 29 Ca 0.31 -0.77 -0.02 0.00 0.00 0.00 0.00 53.44 52.96 1x69 n ALA 29 Cb -0.06 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 1x69 n ALA 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x69 s GLY 30 N -0.73 0.23 0.44 0.00 0.00 -1.26 -4.97 107.32 101.03 1x69 s GLY 30 Ca 0.26 3.19 0.31 0.00 0.00 0.00 0.00 44.72 48.48 1x69 s GLY 30 CO 0.13 1.52 1.61 -0.55 0.00 0.00 0.00 173.10 175.81 1x69 h ASP 31 N 2.56 0.22 -0.60 1.64 3.32 -2.03 1.40 116.42 122.94 1x69 h ASP 31 Ca -0.17 0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1x69 h ASP 31 Cb 1.19 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.85 1x69 h ASP 31 CO 0.20 -0.20 0.02 -2.24 -1.72 0.00 0.00 179.24 175.31 1x69 h ASP 32 N 0.06 1.03 -4.24 6.45 3.04 -1.96 -3.44 116.42 117.36 1x69 h ASP 32 Ca 0.84 -0.28 -0.50 0.00 -3.24 0.00 0.00 57.03 53.85 1x69 h ASP 32 Cb 2.69 -0.28 0.04 0.00 -1.04 0.00 0.00 39.33 40.75 1x69 h ASP 32 CO -0.41 1.07 0.38 -1.61 -2.04 0.00 0.00 179.24 176.62 1x69 s GLU 33 N -5.05 3.72 0.14 4.15 2.02 0.48 -1.06 118.70 123.09 1x69 s GLU 33 Ca -0.11 0.78 0.10 0.00 0.02 0.00 0.00 54.97 55.76 1x69 s GLU 33 Cb 0.14 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 1x69 s GLU 33 CO 0.85 -0.43 -0.21 0.96 0.02 0.00 0.00 175.26 176.45 1x69 s ILE 34 N -2.94 2.64 -0.07 -1.63 -4.36 -1.08 -4.65 121.20 109.10 1x69 s ILE 34 Ca 0.56 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 59.31 1x69 s ILE 34 Cb -0.11 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 1x69 s ILE 34 CO 0.45 0.05 -0.12 -0.94 0.24 0.00 0.00 174.94 174.62 1x69 s SER 35 N -2.24 4.16 0.10 4.36 1.04 -1.26 -3.93 113.70 115.91 1x69 s SER 35 Ca 0.18 -0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.37 1x69 s SER 35 Cb -0.10 -1.04 -0.02 0.00 0.10 0.00 0.00 66.02 64.96 1x69 s SER 35 CO 0.09 0.32 0.13 0.72 0.98 0.00 0.00 173.24 175.48 1x69 s PHE 36 N -0.56 0.39 0.50 5.02 -0.12 -1.25 -4.94 117.98 117.03 1x69 s PHE 36 Ca 0.08 -0.84 -0.05 0.00 -0.05 0.00 0.00 56.93 56.07 1x69 s PHE 36 Cb -0.12 -0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.04 1x69 s PHE 36 CO 0.01 -0.52 0.81 -0.51 -0.05 0.00 0.00 175.22 174.96 1x69 s ASP 37 N -2.92 6.08 0.17 1.98 1.11 -1.26 -2.44 116.67 119.39 1x69 s ASP 37 Ca 0.10 0.84 -0.30 0.00 0.18 0.00 0.00 52.55 53.37 1x69 s ASP 37 Cb 0.06 -2.08 -0.08 0.00 1.07 0.00 0.00 42.92 41.88 1x69 s ASP 37 CO -0.07 -0.70 1.32 -2.16 1.18 0.00 0.00 175.17 174.74 1x69 s PRO 38 N -4.79 4.37 -0.62 8.23 0.04 -1.26 -2.81 135.00 138.17 1x69 s PRO 38 Ca 0.49 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1x69 s PRO 38 Cb -0.10 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1x69 s PRO 38 CO 0.45 -0.30 0.00 -3.47 0.04 0.00 0.00 177.00 173.72 1x69 n ASP 39 N 3.04 -3.10 -4.91 6.66 2.03 0.09 -4.96 116.55 115.40 1x69 n ASP 39 Ca 0.08 0.07 -0.27 0.00 0.52 0.00 0.00 54.79 55.19 1x69 n ASP 39 Cb 0.43 -1.86 -0.01 0.00 -0.72 0.00 0.00 41.12 38.96 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 -2.81 6.29 -0.18 1.67 1.11 -1.12 -4.77 116.67 116.86 1x69 s ASP 40 Ca 0.00 0.81 -0.09 0.00 0.18 0.00 0.00 52.55 53.45 1x69 s ASP 40 Cb 0.00 -2.19 -0.05 0.00 1.07 0.00 0.00 42.92 41.75 1x69 s ASP 40 CO 0.00 -0.48 0.12 -0.63 1.18 0.00 0.00 175.17 175.35 1x69 s ILE 41 N -2.59 5.30 0.06 0.77 -1.09 -1.26 -2.04 121.20 120.36 1x69 s ILE 41 Ca 0.46 0.15 0.09 0.00 -2.23 0.00 0.00 60.65 59.12 1x69 s ILE 41 Cb -0.10 -3.40 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 1x69 s ILE 41 CO 0.41 0.47 -0.26 -0.63 -1.23 0.00 0.00 174.94 173.71 1x69 s ILE 42 N 0.15 2.08 0.21 2.92 1.09 -0.21 -4.78 121.20 122.66 1x69 s ILE 42 Ca 0.08 -1.45 0.02 0.00 -1.10 0.00 0.00 60.65 58.21 1x69 s ILE 42 Cb -0.11 -1.80 -0.05 0.00 -1.06 0.00 0.00 42.46 39.44 1x69 s ILE 42 CO -0.01 0.27 0.03 0.42 -0.10 0.00 0.00 174.94 175.55 1x69 s THR 43 N -0.87 0.70 -1.17 2.92 -4.23 -1.21 -2.41 115.64 109.37 1x69 s THR 43 Ca 0.11 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.58 1x69 s THR 43 Cb -0.10 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.42 1x69 s THR 43 CO 0.03 -0.29 1.01 0.59 -0.54 0.00 0.00 174.62 175.41 1x69 n ASN 44 N -0.35 -4.46 -4.78 3.99 5.03 0.36 -1.16 115.26 113.90 1x69 n ASN 44 Ca -0.04 -0.52 -0.37 0.00 0.87 0.00 0.00 54.58 54.53 1x69 n ASN 44 Cb 0.64 -4.63 -0.03 0.00 -1.02 0.00 0.00 39.78 34.74 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 -3.30 3.58 -0.32 2.41 1.01 -0.56 -3.44 121.20 120.58 1x69 s ILE 45 Ca 0.33 1.22 -0.01 0.00 0.00 0.00 0.00 60.65 62.19 1x69 s ILE 45 Cb -0.14 -3.64 0.10 0.00 0.01 0.00 0.00 42.46 38.79 1x69 s ILE 45 CO 0.66 0.02 0.12 -1.61 0.00 0.00 0.00 174.94 174.12 1x69 s GLU 46 N -2.49 0.65 -0.55 2.79 2.02 0.60 -4.41 118.70 117.31 1x69 s GLU 46 Ca 0.58 -1.05 -0.28 0.00 0.02 0.00 0.00 54.97 54.24 1x69 s GLU 46 Cb -0.24 -1.84 -0.10 0.00 0.10 0.00 0.00 34.13 32.05 1x69 s GLU 46 CO 0.30 -1.01 2.44 -1.33 0.02 0.00 0.00 175.26 175.67 1x69 n MET 47 N 4.81 0.91 -0.05 1.61 2.81 -1.26 -1.84 117.12 124.11 1x69 n MET 47 Ca -0.02 0.07 -0.01 0.00 -1.81 0.00 0.00 57.70 55.93 1x69 n MET 47 Cb 0.41 -2.95 -0.00 0.00 -0.71 0.00 0.00 33.22 29.97 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 7.66 0.00 -3.70 2.02 1.08 -1.89 -3.49 117.51 119.20 1x69 h ILE 48 Ca -0.22 -0.88 -0.26 0.00 -0.39 0.00 0.00 64.86 63.11 1x69 h ILE 48 Cb 1.28 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.97 1x69 h ILE 48 CO 1.18 0.00 -0.24 -0.67 -0.69 0.00 0.00 178.15 177.73 1x69 n ASP 49 N -4.42 0.36 -1.34 1.72 2.03 -0.68 -5.02 116.55 109.20 1x69 n ASP 49 Ca -0.01 -2.12 -0.07 0.00 0.52 0.00 0.00 54.79 53.11 1x69 n ASP 49 Cb 0.05 0.69 0.05 0.00 -0.72 0.00 0.00 41.12 41.19 1x69 n ASP 49 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1x69 n ASP 50 N -2.06 3.24 0.00 1.67 -0.08 -1.26 -4.00 116.55 114.07 1x69 n ASP 50 Ca 0.00 -2.44 0.00 0.00 -1.51 0.00 0.00 54.79 50.84 1x69 n ASP 50 Cb 0.31 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.17 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 0.07 -0.03 3.30 0.27 0.00 -1.26 -5.07 105.19 102.47 1x69 n GLY 51 Ca 0.16 -0.05 -0.23 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 -1.34 1.79 0.39 1.61 0.52 -1.26 -1.23 118.94 119.41 1x69 s TRP 52 Ca 0.00 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.72 1x69 s TRP 52 Cb 0.00 -0.95 -0.02 0.00 -1.15 0.00 0.00 33.47 31.36 1x69 s TRP 52 CO 0.00 0.24 0.15 0.91 0.02 0.00 0.00 176.95 178.27 1x69 n TRP 53 N 0.82 0.09 -3.67 -1.98 8.01 0.71 -1.68 117.44 119.73 1x69 n TRP 53 Ca -0.17 -2.51 -0.19 0.00 -1.31 0.00 0.00 57.50 53.31 1x69 n TRP 53 Cb 0.55 0.01 -0.17 0.00 -2.01 0.00 0.00 31.31 29.68 1x69 n TRP 53 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 1x69 s ARG 54 N -3.48 -0.06 0.20 -0.99 0.52 -0.77 -0.79 118.95 113.59 1x69 s ARG 54 Ca 0.21 0.41 -0.06 0.00 -0.52 0.00 0.00 55.73 55.77 1x69 s ARG 54 Cb 0.01 -0.46 -0.02 0.00 0.52 0.00 0.00 34.95 35.00 1x69 s ARG 54 CO 0.15 -0.32 0.26 0.20 0.02 0.00 0.00 175.30 175.60 1x69 s GLY 55 N 2.16 0.95 -0.53 -3.53 0.00 -1.24 0.22 107.32 105.36 1x69 s GLY 55 Ca 0.04 -1.28 -0.20 0.00 0.00 0.00 0.00 44.72 43.28 1x69 s GLY 55 CO -0.04 -1.05 0.69 0.14 0.00 0.00 0.00 173.10 172.84 1x69 s VAL 56 N -4.07 4.77 -0.13 1.40 1.01 -0.31 -3.57 120.40 119.50 1x69 s VAL 56 Ca 0.29 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1x69 s VAL 56 Cb 0.04 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1x69 s VAL 56 CO 0.08 -0.90 -0.16 0.00 0.00 0.00 0.00 175.10 174.11 1x69 n LYS 58 N 3.67 -2.58 -2.46 0.00 5.02 -1.26 -0.30 118.16 120.24 1x69 n LYS 58 Ca -0.19 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1x69 n LYS 58 Cb 0.52 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 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 -0.77 0.93 3.14 0.72 0.00 -1.26 -5.07 105.19 102.89 1x69 n GLY 59 Ca -0.08 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 0.26 -0.27 1.61 0.52 0.58 -5.13 118.95 111.60 1x69 s ARG 60 Ca 0.00 0.74 -0.02 0.00 -0.52 0.00 0.00 55.73 55.92 1x69 s ARG 60 Cb 0.00 -0.00 0.03 0.00 0.52 0.00 0.00 34.95 35.50 1x69 s ARG 60 CO 0.00 -0.20 -0.02 -0.47 0.02 0.00 0.00 175.30 174.62 1x69 s TYR 61 N 1.79 3.14 0.16 -0.53 5.04 -1.26 -0.14 117.35 125.54 1x69 s TYR 61 Ca -0.06 -1.58 -0.05 0.00 -2.44 0.00 0.00 57.07 52.95 1x69 s TYR 61 Cb -0.10 -2.10 0.02 0.00 0.35 0.00 0.00 41.96 40.13 1x69 s TYR 61 CO -0.10 -0.73 0.30 0.41 -1.34 0.00 0.00 175.55 174.08 1x69 n GLY 62 N 4.68 1.81 3.75 8.97 0.00 -1.23 -4.96 105.19 118.20 1x69 n GLY 62 Ca -0.15 -1.18 -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 4.57 -0.06 0.99 1.43 -0.23 -3.59 118.68 121.79 1x69 s LEU 63 Ca 0.07 1.80 -0.14 0.00 -1.03 0.00 0.00 54.13 54.84 1x69 s LEU 63 Cb -0.02 -3.52 0.03 0.00 0.03 0.00 0.00 46.19 42.71 1x69 s LEU 63 CO 0.06 0.07 0.33 0.72 0.23 0.00 0.00 176.35 177.76 1x69 s PHE 64 N -0.65 -0.27 0.19 0.29 -0.12 0.03 -2.64 117.98 114.81 1x69 s PHE 64 Ca 0.42 0.56 -0.30 0.00 -0.05 0.00 0.00 56.93 57.56 1x69 s PHE 64 Cb -0.24 0.11 -0.09 0.00 -0.63 0.00 0.00 43.02 42.18 1x69 s PHE 64 CO 0.30 -0.30 1.30 -1.25 -0.05 0.00 0.00 175.22 175.22 1x69 s PRO 65 N -0.67 4.39 0.00 1.99 0.04 -1.26 -0.21 135.00 139.28 1x69 s PRO 65 Ca -0.08 2.04 0.28 0.00 0.04 0.00 0.00 61.00 63.28 1x69 s PRO 65 Cb -0.04 -3.20 1.52 0.00 0.04 0.00 0.00 34.50 32.83 1x69 s PRO 65 CO 0.03 -0.25 1.99 0.00 0.04 0.00 0.00 177.00 178.80 1x69 n ALA 66 N 2.67 2.45 0.06 8.56 0.00 -0.37 -3.14 120.51 130.74 1x69 n ALA 66 Ca 0.06 -0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1x69 n ALA 66 Cb 0.43 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.29 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 0.28 -0.05 0.00 4.21 -1.91 -3.25 115.58 114.86 1x69 h ASN 67 Ca 0.00 -0.37 0.00 0.00 1.21 0.00 0.00 56.30 57.14 1x69 h ASN 67 Cb 0.14 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1x69 h ASN 67 CO 0.00 1.30 0.00 -1.22 -1.29 0.00 0.00 177.43 176.22 1x69 n TYR 68 N -3.41 0.06 -4.07 1.19 4.02 -1.19 -4.84 117.16 108.93 1x69 n TYR 68 Ca -0.12 -0.03 -0.08 0.00 -0.01 0.00 0.00 57.90 57.66 1x69 n TYR 68 Cb 1.02 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.25 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 -1.94 0.18 0.04 -0.72 -7.23 -1.23 -0.53 120.40 108.97 1x69 s VAL 69 Ca 0.30 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.77 1x69 s VAL 69 Cb 0.15 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 1x69 s VAL 69 CO 0.24 -0.83 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.36 1x69 s GLU 70 N -3.94 0.96 0.05 4.82 2.56 0.96 -4.84 118.70 119.27 1x69 s GLU 70 Ca 0.11 -0.75 -0.31 0.00 0.00 0.00 0.00 54.97 54.03 1x69 s GLU 70 Cb 0.07 -0.97 -0.05 0.00 2.00 0.00 0.00 34.13 35.18 1x69 s GLU 70 CO -0.07 0.24 1.21 -0.51 -0.56 0.00 0.00 175.26 175.56 1x69 s LEU 71 N -1.08 4.36 0.80 2.70 1.43 -1.26 -0.41 118.68 125.21 1x69 s LEU 71 Ca 0.02 2.00 -0.14 0.00 -1.03 0.00 0.00 54.13 54.99 1x69 s LEU 71 Cb -0.08 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.64 1x69 s LEU 71 CO 0.01 -0.49 1.21 0.54 0.23 0.00 0.00 176.35 177.85 1x69 n ARG 72 N 4.08 0.25 -0.95 1.70 5.12 -1.08 -4.88 116.66 120.90 1x69 n ARG 72 Ca 0.09 0.16 -0.17 0.00 -1.93 0.00 0.00 57.85 56.00 1x69 n ARG 72 Cb 0.46 -2.44 0.02 0.00 -1.16 0.00 0.00 32.46 29.34 1x69 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x69 n GLN 73 N -3.18 1.84 -0.28 5.56 10.64 -1.26 -4.63 117.38 126.07 1x69 n GLN 73 Ca 0.14 -1.58 0.10 0.00 -1.83 0.00 0.00 57.00 53.83 1x69 n GLN 73 Cb 0.50 -1.66 0.25 0.00 -0.86 0.00 0.00 30.24 28.47 1x69 n GLN 73 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1x69 h SER 74 N 1.66 -0.06 0.00 2.61 0.87 -1.95 -3.38 113.55 113.30 1x69 h SER 74 Ca 0.29 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1x69 h SER 74 Cb 0.90 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1x69 h SER 74 CO 0.73 -0.14 0.00 0.61 -0.53 0.00 0.00 176.83 177.50 1x69 n GLY 75 N -1.38 0.10 3.56 5.77 0.00 -1.26 -4.92 105.19 107.04 1x69 n GLY 75 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 2.58 -0.42 1.61 0.04 -1.26 -4.94 135.00 132.61 1x69 s PRO 76 Ca 0.00 0.08 -0.15 0.00 0.04 0.00 0.00 61.00 60.97 1x69 s PRO 76 Cb 0.00 -4.78 0.03 0.00 0.04 0.00 0.00 34.50 29.78 1x69 s PRO 76 CO 0.00 -3.11 0.32 -1.54 0.04 0.00 0.00 177.00 172.71 1x69 s SER 77 N 8.06 6.12 0.27 6.66 1.04 -1.26 -4.81 113.70 129.78 1x69 s SER 77 Ca 0.69 -0.95 -0.00 0.00 0.48 0.00 0.00 55.95 56.16 1x69 s SER 77 Cb -0.09 -2.17 0.60 0.00 0.10 0.00 0.00 66.02 64.46 1x69 s SER 77 CO 0.08 -0.49 1.71 0.77 0.98 0.00 0.00 173.24 176.29 1x69 h SER 78 N 8.66 0.30 0.00 7.02 4.64 -1.94 -3.53 113.55 128.70 1x69 h SER 78 Ca -0.27 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1x69 h SER 78 Cb 1.12 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1x69 h SER 78 CO 0.76 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.38