#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s62 n GLU 2 N 0.00 0.00 -3.84 0.00 4.71 -1.26 -4.72 120.64 115.53 1s62 n GLU 2 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 1s62 n GLU 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.38 1s62 n GLU 2 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1s62 s PHE 3 N 0.00 0.11 -1.08 -0.32 5.36 -1.26 -5.07 117.98 115.72 1s62 s PHE 3 Ca 0.00 -0.47 -0.23 0.00 -0.96 0.00 0.00 56.93 55.27 1s62 s PHE 3 Cb 0.00 0.17 -0.03 0.00 -0.34 0.00 0.00 43.02 42.82 1s62 s PHE 3 CO 0.00 -0.81 1.85 0.20 -1.46 0.00 0.00 175.22 175.00 1s62 s GLY 4 N -2.91 0.52 -0.01 13.12 0.00 -1.26 -4.81 107.32 111.96 1s62 s GLY 4 Ca 0.12 -2.05 -0.05 0.00 0.00 0.00 0.00 44.72 42.74 1s62 s GLY 4 CO -0.02 3.30 3.31 -2.01 0.00 0.00 0.00 173.10 177.68 1s62 n ASN 5 N 12.69 5.30 0.08 1.64 5.15 -1.26 -4.36 115.26 134.50 1s62 n ASN 5 Ca 0.42 -2.49 -0.22 0.00 -0.60 0.00 0.00 54.58 51.70 1s62 n ASN 5 Cb 0.47 -1.36 -0.15 0.00 -0.53 0.00 0.00 39.78 38.21 1s62 n ASN 5 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1s62 h THR 6 N 1.82 1.43 0.00 -0.44 2.02 -2.02 -3.49 112.91 112.22 1s62 h THR 6 Ca 0.16 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1s62 h THR 6 Cb 1.40 3.15 0.00 0.00 -1.74 0.00 0.00 68.15 70.96 1s62 h THR 6 CO 0.21 0.75 0.00 0.29 0.37 0.00 0.00 175.52 177.14 1s62 n LYS 7 N -3.99 0.00 -3.82 6.66 5.02 -1.26 -3.55 118.16 117.23 1s62 n LYS 7 Ca -0.15 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.82 1s62 n LYS 7 Cb 0.92 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.82 1s62 n LYS 7 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1s62 s ASN 8 N -4.00 5.03 -0.23 4.39 3.84 -1.26 -5.07 114.94 117.64 1s62 s ASN 8 Ca 0.00 -3.37 -0.18 0.00 0.21 0.00 0.00 52.86 49.52 1s62 s ASN 8 Cb 0.00 -1.75 -0.03 0.00 -0.55 0.00 0.00 41.25 38.92 1s62 s ASN 8 CO 0.00 -0.21 0.49 0.21 -2.79 0.00 0.00 177.10 174.80 1s62 s ASN 9 N -0.37 6.47 -0.02 -4.21 2.47 -1.23 -4.90 114.94 113.15 1s62 s ASN 9 Ca 0.21 0.56 -0.00 0.00 0.42 0.00 0.00 52.86 54.06 1s62 s ASN 9 Cb -0.15 -2.27 -0.01 0.00 -1.45 0.00 0.00 41.25 37.37 1s62 s ASN 9 CO -0.08 -0.21 -0.02 0.61 -3.72 0.00 0.00 177.10 173.68 1s62 n GLY 10 N 4.15 -0.03 3.41 1.21 0.00 -1.26 -4.92 105.19 107.76 1s62 n GLY 10 Ca -0.05 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 1s62 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 s ALA 11 N -2.04 3.36 -0.08 4.61 0.00 -1.26 -4.98 121.76 121.36 1s62 s ALA 11 Ca -0.03 -2.33 -0.02 0.00 0.00 0.00 0.00 51.96 49.58 1s62 s ALA 11 Cb 0.01 -3.76 0.04 0.00 0.00 0.00 0.00 23.12 19.40 1s62 s ALA 11 CO 0.04 -2.64 0.04 -1.12 0.00 0.00 0.00 175.76 172.08 1s62 s SER 12 N 3.55 1.64 0.00 0.00 0.01 -1.26 -5.12 113.70 112.52 1s62 s SER 12 Ca 0.21 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1s62 s SER 12 Cb -0.16 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.75 1s62 s SER 12 CO 0.02 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1s62 n GLY 13 N 5.21 5.19 1.50 3.44 0.00 -1.26 -5.12 105.19 114.14 1s62 n GLY 13 Ca -0.06 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1s62 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 n ALA 14 N -3.00 3.00 0.27 4.61 0.00 -1.26 -4.71 120.51 119.42 1s62 n ALA 14 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1s62 n ALA 14 Cb 0.00 0.19 0.66 0.00 0.00 0.00 0.00 19.45 20.30 1s62 n ALA 14 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1s62 h ASP 15 N 0.00 0.00 -0.12 0.00 2.03 -1.99 0.22 116.42 116.55 1s62 h ASP 15 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 1s62 h ASP 15 Cb 0.25 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.75 1s62 h ASP 15 CO 0.00 0.03 -0.02 0.40 -1.03 0.00 0.00 179.24 178.62 1s62 h ILE 16 N 0.00 1.28 -0.13 4.15 2.04 -1.98 0.10 117.51 122.97 1s62 h ILE 16 Ca -0.00 -0.92 -0.14 0.00 1.00 0.00 0.00 64.86 64.80 1s62 h ILE 16 Cb 0.54 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1s62 h ILE 16 CO 0.00 0.26 -0.54 0.78 0.00 0.00 0.00 178.15 178.66 1s62 h ASN 17 N -0.07 0.40 -0.74 1.72 2.35 -1.76 -3.01 115.58 114.46 1s62 h ASN 17 Ca 0.03 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 1s62 h ASN 17 Cb 0.42 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1s62 h ASN 17 CO 0.01 0.86 0.25 -1.13 -1.65 0.00 0.00 177.43 175.77 1s62 h ASN 18 N 0.28 1.07 -0.98 5.81 -0.00 -0.81 -2.72 115.58 118.24 1s62 h ASN 18 Ca 0.01 -0.19 0.04 0.00 -0.00 0.00 0.00 56.30 56.15 1s62 h ASN 18 Cb 1.04 -0.28 -0.06 0.00 -0.00 0.00 0.00 38.32 39.02 1s62 h ASN 18 CO 0.09 0.99 0.64 0.22 -0.00 0.00 0.00 177.43 179.36 1s62 h TYR 19 N 1.11 1.19 -0.09 0.67 3.20 -0.66 0.09 116.97 122.48 1s62 h TYR 19 Ca 0.24 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.16 1s62 h TYR 19 Cb 0.29 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1s62 h TYR 19 CO 0.02 0.67 0.01 0.00 -1.64 0.00 0.00 178.16 177.23 1s62 h ALA 20 N 1.41 0.08 -0.07 1.82 0.00 -1.45 0.25 119.26 121.30 1s62 h ALA 20 Ca 0.40 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 1s62 h ALA 20 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1s62 h ALA 20 CO -0.13 -0.46 -0.41 0.78 0.00 0.00 0.00 179.25 179.03 1s62 h GLY 21 N 0.04 0.17 1.65 0.00 0.00 -1.41 -2.21 103.07 101.32 1s62 h GLY 21 Ca 0.04 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 1s62 h GLY 21 CO -0.06 0.14 -0.55 -1.61 0.00 0.00 0.00 176.54 174.47 1s62 h GLN 22 N 0.13 0.37 -0.52 4.80 4.15 -0.46 0.62 115.11 124.20 1s62 h GLN 22 Ca 0.01 -0.23 -0.09 0.00 0.77 0.00 0.00 58.65 59.11 1s62 h GLN 22 Cb 0.79 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 1s62 h GLN 22 CO 0.06 0.82 -0.02 0.82 -1.93 0.00 0.00 178.83 178.58 1s62 h ILE 23 N 0.28 1.26 -0.46 2.39 2.04 -0.28 0.45 117.51 123.20 1s62 h ILE 23 Ca 0.00 -1.12 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1s62 h ILE 23 Cb 1.05 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1s62 h ILE 23 CO 0.09 0.40 0.07 0.11 0.00 0.00 0.00 178.15 178.81 1s62 h LYS 24 N 0.79 0.72 -0.47 2.37 1.79 -1.13 -1.68 116.57 118.97 1s62 h LYS 24 Ca 0.14 -0.16 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 1s62 h LYS 24 Cb 0.55 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1s62 h LYS 24 CO 0.03 0.69 -0.11 0.77 -1.08 0.00 0.00 179.45 179.74 1s62 h SER 25 N 0.69 0.86 -0.38 0.86 0.02 -0.37 0.32 113.55 115.55 1s62 h SER 25 Ca 0.15 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1s62 h SER 25 Cb 0.33 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1s62 h SER 25 CO 0.01 0.99 0.17 0.00 -1.14 0.00 0.00 176.83 176.86 1s62 h ALA 26 N 1.09 1.49 0.00 3.77 0.00 -0.23 -1.76 119.26 123.61 1s62 h ALA 26 Ca 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1s62 h ALA 26 Cb 0.63 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1s62 h ALA 26 CO 0.04 0.40 -0.26 0.82 0.00 0.00 0.00 179.25 180.25 1s62 h ILE 27 N 0.62 0.56 0.00 0.00 2.04 -0.85 -3.38 117.51 116.50 1s62 h ILE 27 Ca 0.15 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 1s62 h ILE 27 Cb 0.13 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1s62 h ILE 27 CO -0.01 0.19 -0.18 -0.33 0.00 0.00 0.00 178.15 177.82 1s62 h GLU 28 N -1.00 0.00 -0.01 2.37 5.08 -0.42 -2.13 114.58 118.48 1s62 h GLU 28 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1s62 h GLU 28 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1s62 h GLU 28 CO -0.03 0.18 0.00 0.43 -1.00 0.00 0.00 179.01 178.59 1s62 n SER 29 N -3.22 0.08 -0.02 1.42 7.64 -0.66 -1.22 113.62 117.63 1s62 n SER 29 Ca 0.02 -1.85 0.02 0.00 1.01 0.00 0.00 58.87 58.07 1s62 n SER 29 Cb 0.50 -0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.72 1s62 n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s62 n LYS 30 N -0.53 2.46 -4.48 1.43 5.02 -0.81 -5.01 118.16 116.24 1s62 n LYS 30 Ca 0.04 -1.70 -0.34 0.00 -2.02 0.00 0.00 58.31 54.29 1s62 n LYS 30 Cb 0.03 -1.09 -0.11 0.00 -0.02 0.00 0.00 35.03 33.84 1s62 n LYS 30 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1s62 s PHE 31 N -1.38 3.04 0.00 2.13 0.08 -0.36 -4.92 117.98 116.57 1s62 s PHE 31 Ca 0.07 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.13 1s62 s PHE 31 Cb 0.06 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 1s62 s PHE 31 CO 0.01 0.29 0.00 0.98 -0.10 0.00 0.00 175.22 176.40 1s62 n TYR 32 N 2.50 0.00 0.34 0.36 9.36 -1.26 -4.09 117.16 124.37 1s62 n TYR 32 Ca -0.18 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.17 1s62 n TYR 32 Cb 0.53 0.00 0.31 0.00 -0.63 0.00 0.00 39.34 39.55 1s62 n TYR 32 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1s62 h ASP 33 N 0.00 0.00 0.92 2.98 3.58 -1.98 -3.23 116.42 118.69 1s62 h ASP 33 Ca 0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 1s62 h ASP 33 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1s62 h ASP 33 CO 0.00 0.00 -0.81 0.00 -2.88 0.00 0.00 179.24 175.55 1s62 h ALA 34 N 2.15 0.60 0.00 -0.78 0.00 -1.95 -3.02 119.26 116.25 1s62 h ALA 34 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1s62 h ALA 34 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1s62 h ALA 34 CO 0.00 1.02 0.00 1.03 0.00 0.00 0.00 179.25 181.30 1s62 h SER 35 N 0.00 0.00 -0.33 0.00 0.87 -1.70 -2.48 113.55 109.91 1s62 h SER 35 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1s62 h SER 35 Cb 1.49 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 1s62 h SER 35 CO 0.11 0.00 0.01 -1.20 -0.53 0.00 0.00 176.83 175.22 1s62 n SER 36 N -2.74 4.04 -4.94 6.23 7.64 -1.14 -4.86 113.62 117.85 1s62 n SER 36 Ca 0.01 -3.08 -0.20 0.00 1.01 0.00 0.00 58.87 56.61 1s62 n SER 36 Cb 0.26 -0.58 0.05 0.00 -1.01 0.00 0.00 64.21 62.92 1s62 n SER 36 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1s62 s TYR 37 N -2.87 2.30 -0.02 1.43 2.02 -0.94 -5.09 117.35 114.18 1s62 s TYR 37 Ca 0.45 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.51 1s62 s TYR 37 Cb 0.36 -2.57 0.11 0.00 -0.40 0.00 0.00 41.96 39.46 1s62 s TYR 37 CO 0.09 -0.96 1.16 0.00 -1.57 0.00 0.00 175.55 174.27 1s62 s ALA 38 N -2.69 -2.03 -0.86 3.71 0.00 -1.26 -4.73 121.76 113.90 1s62 s ALA 38 Ca 0.59 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 53.34 1s62 s ALA 38 Cb -0.08 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1s62 s ALA 38 CO 0.38 -0.90 0.74 0.41 0.00 0.00 0.00 175.76 176.39 1s62 n GLY 39 N -0.37 -0.05 3.12 0.00 0.00 -1.26 -5.00 105.19 101.62 1s62 n GLY 39 Ca -0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1s62 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s62 s LYS 40 N -5.54 0.69 -0.01 1.61 -0.14 -1.26 -5.11 119.74 109.98 1s62 s LYS 40 Ca 0.26 -1.21 0.01 0.00 -1.36 0.00 0.00 55.97 53.66 1s62 s LYS 40 Cb -0.11 -0.00 0.00 0.00 -1.68 0.00 0.00 37.83 36.03 1s62 s LYS 40 CO 0.48 -0.06 -0.03 0.99 -0.76 0.00 0.00 175.35 175.97 1s62 s THR 41 N -3.52 0.27 -0.36 2.17 2.01 -1.26 -4.49 115.64 110.46 1s62 s THR 41 Ca 0.07 -0.13 0.05 0.00 0.31 0.00 0.00 61.69 61.99 1s62 s THR 41 Cb 0.05 -0.25 0.17 0.00 0.01 0.00 0.00 72.50 72.48 1s62 s THR 41 CO -0.07 0.09 0.50 0.00 -0.69 0.00 0.00 174.62 174.45 1s62 s THR 43 N 1.97 4.14 -0.17 0.00 2.01 -0.30 0.82 115.64 124.12 1s62 s THR 43 Ca 0.14 1.26 -0.02 0.00 0.31 0.00 0.00 61.69 63.38 1s62 s THR 43 Cb -0.10 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 1s62 s THR 43 CO -0.13 -0.58 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.37 1s62 s LEU 44 N 4.50 2.79 -0.77 4.42 1.02 -0.28 0.14 118.68 130.50 1s62 s LEU 44 Ca 0.55 -0.35 -0.26 0.00 0.02 0.00 0.00 54.13 54.09 1s62 s LEU 44 Cb -0.15 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.42 1s62 s LEU 44 CO 0.25 0.09 1.39 -0.60 0.02 0.00 0.00 176.35 177.50 1s62 s ARG 45 N 0.83 3.16 0.17 1.70 3.52 0.11 -2.17 118.95 126.27 1s62 s ARG 45 Ca -0.03 -0.26 0.05 0.00 -0.13 0.00 0.00 55.73 55.36 1s62 s ARG 45 Cb -0.15 -4.39 -0.04 0.00 -1.56 0.00 0.00 34.95 28.81 1s62 s ARG 45 CO 0.01 -2.26 0.15 0.96 -0.81 0.00 0.00 175.30 173.35 1s62 s ILE 46 N 6.16 4.54 -0.26 4.11 -4.36 -1.26 -1.19 121.20 128.93 1s62 s ILE 46 Ca 0.41 -1.08 -0.03 0.00 -0.26 0.00 0.00 60.65 59.69 1s62 s ILE 46 Cb -0.07 -3.33 0.09 0.00 1.25 0.00 0.00 42.46 40.40 1s62 s ILE 46 CO 0.12 -0.13 0.10 -0.75 0.24 0.00 0.00 174.94 174.52 1s62 s LYS 47 N -3.17 0.41 0.17 0.37 2.36 0.18 -4.22 119.74 115.85 1s62 s LYS 47 Ca 0.31 -0.61 -0.28 0.00 -2.55 0.00 0.00 55.97 52.84 1s62 s LYS 47 Cb -0.10 -1.66 -0.08 0.00 -1.05 0.00 0.00 37.83 34.95 1s62 s LYS 47 CO 0.24 -0.90 0.87 -0.51 1.55 0.00 0.00 175.35 176.60 1s62 s LEU 48 N 1.92 4.58 0.31 5.43 2.01 -1.10 -1.07 118.68 130.76 1s62 s LEU 48 Ca 0.07 1.77 0.06 0.00 0.01 0.00 0.00 54.13 56.04 1s62 s LEU 48 Cb -0.17 -3.46 -0.02 0.00 0.01 0.00 0.00 46.19 42.55 1s62 s LEU 48 CO -0.25 0.12 0.42 0.00 1.01 0.00 0.00 176.35 177.65 1s62 s ALA 49 N -0.83 4.10 -0.71 4.21 0.00 0.33 -4.17 121.76 124.70 1s62 s ALA 49 Ca 0.40 -1.42 0.11 0.00 0.00 0.00 0.00 51.96 51.05 1s62 s ALA 49 Cb -0.24 -1.63 0.54 0.00 0.00 0.00 0.00 23.12 21.79 1s62 s ALA 49 CO 0.29 0.05 1.34 -0.35 0.00 0.00 0.00 175.76 177.08 1s62 n PRO 50 N -1.54 0.06 0.00 0.00 -0.04 -1.26 -0.36 135.00 131.86 1s62 n PRO 50 Ca -0.03 0.50 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 1s62 n PRO 50 Cb 0.58 -1.67 0.55 0.00 -0.04 0.00 0.00 33.50 32.91 1s62 n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1s62 n ASP 51 N -1.80 0.68 0.00 3.54 -0.08 -1.26 -4.38 116.55 113.25 1s62 n ASP 51 Ca 0.00 -0.74 0.00 0.00 -1.51 0.00 0.00 54.79 52.55 1s62 n ASP 51 Cb 0.06 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.51 1s62 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s62 n GLY 52 N 1.28 0.52 3.85 0.27 0.00 0.52 -4.12 105.19 107.51 1s62 n GLY 52 Ca 0.14 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1s62 n GLY 52 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s62 s MET 53 N -0.15 3.11 -0.57 1.61 0.23 -1.25 -4.62 119.30 117.65 1s62 s MET 53 Ca 0.00 -0.74 -0.20 0.00 -1.03 0.00 0.00 55.69 53.73 1s62 s MET 53 Cb 0.00 -2.78 0.08 0.00 -1.53 0.00 0.00 34.83 30.60 1s62 s MET 53 CO 0.00 0.51 0.72 -0.51 -2.03 0.00 0.00 175.02 173.71 1s62 s LEU 54 N -3.04 5.07 0.15 0.18 1.02 -1.26 -0.51 118.68 120.29 1s62 s LEU 54 Ca 0.32 -1.16 -0.13 0.00 0.02 0.00 0.00 54.13 53.18 1s62 s LEU 54 Cb -0.11 -2.39 0.02 0.00 0.02 0.00 0.00 46.19 43.74 1s62 s LEU 54 CO 0.25 -1.09 1.63 -0.07 0.02 0.00 0.00 176.35 177.10 1s62 h LEU 55 N 10.10 0.78 -8.36 1.79 3.38 -1.45 -3.44 115.31 118.11 1s62 h LEU 55 Ca -0.29 -0.26 -0.49 0.00 0.09 0.00 0.00 57.88 56.93 1s62 h LEU 55 Cb 1.09 -0.21 -0.26 0.00 0.09 0.00 0.00 40.66 41.37 1s62 h LEU 55 CO 1.07 0.84 -0.81 -0.62 0.09 0.00 0.00 178.44 179.01 1s62 s ASP 56 N -6.21 1.89 -0.29 -0.43 2.15 -1.24 -4.99 116.67 107.55 1s62 s ASP 56 Ca -0.13 -0.43 0.01 0.00 0.43 0.00 0.00 52.55 52.43 1s62 s ASP 56 Cb 0.11 -0.15 0.18 0.00 -0.30 0.00 0.00 42.92 42.77 1s62 s ASP 56 CO 0.80 0.10 0.55 -0.51 -0.17 0.00 0.00 175.17 175.94 1s62 s ILE 57 N -0.73 -0.91 -0.06 4.11 2.07 -1.23 -0.65 121.20 123.80 1s62 s ILE 57 Ca 0.04 -0.04 -0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1s62 s ILE 57 Cb -0.08 -0.97 0.03 0.00 0.13 0.00 0.00 42.46 41.57 1s62 s ILE 57 CO 0.01 -0.04 -0.01 -0.75 -1.91 0.00 0.00 174.94 172.23 1s62 s LYS 58 N 2.78 0.68 -0.02 3.50 2.47 -0.33 -4.93 119.74 123.88 1s62 s LYS 58 Ca 0.16 0.03 -0.30 0.00 -1.56 0.00 0.00 55.97 54.30 1s62 s LYS 58 Cb -0.13 -0.91 -0.06 0.00 -1.46 0.00 0.00 37.83 35.26 1s62 s LYS 58 CO -0.22 -0.22 1.70 -2.14 0.16 0.00 0.00 175.35 174.62 1s62 s PRO 59 N 1.57 4.18 -0.07 4.03 0.02 -1.26 0.06 135.00 143.53 1s62 s PRO 59 Ca -0.01 2.27 -0.03 0.00 0.02 0.00 0.00 61.00 63.25 1s62 s PRO 59 Cb -0.13 -3.96 -0.02 0.00 0.02 0.00 0.00 34.50 30.41 1s62 s PRO 59 CO -0.03 -0.85 0.15 1.49 -0.33 0.00 0.00 177.00 177.43 1s62 h GLU 60 N 9.53 -0.11 0.00 5.54 4.22 -0.67 -3.47 114.58 129.62 1s62 h GLU 60 Ca -0.41 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.11 1s62 h GLU 60 Cb 1.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1s62 h GLU 60 CO 0.95 -0.08 0.35 0.41 -2.18 0.00 0.00 179.01 178.47 1s62 n GLY 61 N 1.47 0.93 0.00 1.92 0.00 -1.20 -5.03 105.19 103.28 1s62 n GLY 61 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1s62 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s62 n GLY 62 N -0.46 2.02 2.75 -0.02 0.00 -1.26 -1.15 105.19 107.07 1s62 n GLY 62 Ca -0.02 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 1s62 n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s62 s ASP 63 N -4.00 2.95 0.37 1.61 -1.08 -0.79 -4.87 116.67 110.86 1s62 s ASP 63 Ca 0.00 -0.83 0.09 0.00 -0.52 0.00 0.00 52.55 51.29 1s62 s ASP 63 Cb 0.00 -0.64 0.83 0.00 -1.46 0.00 0.00 42.92 41.65 1s62 s ASP 63 CO 0.00 -0.30 1.93 1.55 0.52 0.00 0.00 175.17 178.87 1s62 h PRO 64 N 8.22 0.65 0.11 4.34 0.13 -1.92 0.71 132.00 144.24 1s62 h PRO 64 Ca -0.16 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.92 1s62 h PRO 64 Cb 1.12 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1s62 h PRO 64 CO 0.34 0.43 -0.05 0.00 -0.23 0.00 0.00 178.00 178.48 1s62 h ALA 65 N 1.62 -0.15 -0.62 -0.56 0.00 -1.99 -2.34 119.26 115.21 1s62 h ALA 65 Ca 0.36 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1s62 h ALA 65 Cb 0.50 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1s62 h ALA 65 CO -0.13 -0.26 0.41 1.25 0.00 0.00 0.00 179.25 180.52 1s62 h LEU 66 N -0.79 0.72 -0.53 0.00 5.85 -1.91 -1.16 115.31 117.48 1s62 h LEU 66 Ca -0.02 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1s62 h LEU 66 Cb 0.56 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1s62 h LEU 66 CO 0.03 0.52 0.12 0.00 -0.34 0.00 0.00 178.44 178.76 1s62 h GLN 68 N 0.74 0.35 -0.19 0.00 1.08 -1.19 -2.87 115.11 113.03 1s62 h GLN 68 Ca 0.16 -0.16 -0.18 0.00 -1.45 0.00 0.00 58.65 57.02 1s62 h GLN 68 Cb 0.35 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1s62 h GLN 68 CO 0.00 0.69 -0.61 0.00 -0.95 0.00 0.00 178.83 177.96 1s62 h ALA 69 N 1.30 0.56 -0.47 3.87 0.00 -1.01 -3.14 119.26 120.37 1s62 h ALA 69 Ca 0.03 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.43 1s62 h ALA 69 Cb 0.81 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1s62 h ALA 69 CO 0.06 0.70 0.31 0.00 0.00 0.00 0.00 179.25 180.32 1s62 h ALA 70 N 0.83 1.78 -0.66 0.00 0.00 -0.86 -1.98 119.26 118.37 1s62 h ALA 70 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1s62 h ALA 70 Cb 1.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1s62 h ALA 70 CO 0.12 0.17 0.37 -0.07 0.00 0.00 0.00 179.25 179.84 1s62 h LEU 71 N 0.53 0.81 -0.38 0.00 3.38 -1.48 0.18 115.31 118.35 1s62 h LEU 71 Ca 0.19 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1s62 h LEU 71 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1s62 h LEU 71 CO -0.05 0.65 -0.30 0.00 0.09 0.00 0.00 178.44 178.83 1s62 h ALA 72 N 1.49 0.55 -0.32 1.53 0.00 -1.47 -2.92 119.26 118.12 1s62 h ALA 72 Ca 0.24 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1s62 h ALA 72 Cb 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1s62 h ALA 72 CO -0.04 0.59 -0.45 0.00 0.00 0.00 0.00 179.25 179.35 1s62 h ALA 73 N 0.78 0.58 0.00 0.00 0.00 -1.24 -3.03 119.26 116.35 1s62 h ALA 73 Ca 0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1s62 h ALA 73 Cb 0.88 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1s62 h ALA 73 CO 0.08 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.95 1s62 h ALA 74 N 0.80 1.60 0.00 0.00 0.00 -0.62 0.11 119.26 121.15 1s62 h ALA 74 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1s62 h ALA 74 Cb 1.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1s62 h ALA 74 CO 0.10 0.07 -0.25 0.87 0.00 0.00 0.00 179.25 180.04 1s62 h LYS 75 N 0.00 0.00 0.00 0.00 1.57 -1.39 -3.11 116.57 113.65 1s62 h LYS 75 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s62 h LYS 75 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1s62 h LYS 75 CO 0.01 0.25 -1.11 1.28 -0.57 0.00 0.00 179.45 179.31 1s62 n LEU 76 N -3.20 0.84 -4.69 2.94 4.77 -0.42 -4.94 117.00 112.29 1s62 n LEU 76 Ca 0.02 -0.40 -0.42 0.00 -0.03 0.00 0.00 56.01 55.18 1s62 n LEU 76 Cb 0.59 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1s62 n LEU 76 CO 0.36 0.21 1.20 0.00 -1.33 0.00 0.00 177.39 177.83 1s62 s ALA 77 N -3.07 3.63 -0.69 -1.18 0.00 0.24 -4.95 121.76 115.74 1s62 s ALA 77 Ca 0.06 1.04 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 1s62 s ALA 77 Cb 0.16 -3.63 0.07 0.00 0.00 0.00 0.00 23.12 19.72 1s62 s ALA 77 CO 0.87 -0.96 0.99 0.15 0.00 0.00 0.00 175.76 176.81 1s62 s LYS 78 N 2.34 3.15 -0.18 0.00 3.01 -1.26 -4.99 119.74 121.81 1s62 s LYS 78 Ca 0.68 -0.89 -0.02 0.00 -1.01 0.00 0.00 55.97 54.72 1s62 s LYS 78 Cb -0.35 -4.29 -0.01 0.00 -1.01 0.00 0.00 37.83 32.16 1s62 s LYS 78 CO 0.29 -1.83 -0.08 0.42 0.51 0.00 0.00 175.35 174.66 1s62 s ILE 79 N 4.01 3.23 0.79 2.17 1.01 -1.26 -4.88 121.20 126.27 1s62 s ILE 79 Ca 0.23 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 1s62 s ILE 79 Cb -0.16 -2.42 0.06 0.00 0.01 0.00 0.00 42.46 39.96 1s62 s ILE 79 CO 0.09 0.47 1.15 -2.16 0.00 0.00 0.00 174.94 174.49 1s62 s PRO 80 N 0.93 2.17 0.09 2.79 0.04 -1.26 -4.71 135.00 135.06 1s62 s PRO 80 Ca -0.01 0.22 -0.31 0.00 0.04 0.00 0.00 61.00 60.94 1s62 s PRO 80 Cb -0.15 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1s62 s PRO 80 CO 0.00 -1.47 1.51 0.21 0.04 0.00 0.00 177.00 177.29 1s62 s LYS 81 N -5.50 4.25 -0.34 4.56 2.20 -1.26 -4.42 119.74 119.24 1s62 s LYS 81 Ca 0.61 2.20 -0.36 0.00 -0.36 0.00 0.00 55.97 58.07 1s62 s LYS 81 Cb -0.11 -3.38 -0.12 0.00 -1.51 0.00 0.00 37.83 32.71 1s62 s LYS 81 CO 0.50 -0.59 2.16 -0.35 -0.36 0.00 0.00 175.35 176.71 1s62 n PRO 82 N 4.68 1.11 0.15 4.03 -0.04 -1.26 -4.83 135.00 138.83 1s62 n PRO 82 Ca 0.14 0.31 0.01 0.00 -0.04 0.00 0.00 63.50 63.92 1s62 n PRO 82 Cb 0.41 -2.44 0.20 0.00 -0.04 0.00 0.00 33.50 31.63 1s62 n PRO 82 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1s62 h PRO 83 N 11.99 0.00 -4.96 0.54 0.13 -1.97 -3.42 132.00 134.31 1s62 h PRO 83 Ca -0.29 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.19 1s62 h PRO 83 Cb 1.32 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.21 1s62 h PRO 83 CO 1.01 0.54 -0.65 -1.12 -0.23 0.00 0.00 178.00 177.56 1s62 s SER 84 N -6.62 4.93 0.45 1.44 0.01 -1.26 -4.98 113.70 107.66 1s62 s SER 84 Ca 0.00 -0.25 0.11 0.00 1.31 0.00 0.00 55.95 57.12 1s62 s SER 84 Cb 0.11 -1.88 1.00 0.00 0.21 0.00 0.00 66.02 65.46 1s62 s SER 84 CO 0.73 -0.03 2.06 -0.61 0.41 0.00 0.00 173.24 175.80 1s62 h GLN 85 N 8.20 0.27 -0.79 12.44 5.75 -2.00 -1.47 115.11 137.50 1s62 h GLN 85 Ca -0.39 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.11 1s62 h GLN 85 Cb 1.17 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.62 1s62 h GLN 85 CO 0.58 0.23 0.52 0.00 -2.65 0.00 0.00 178.83 177.51 1s62 h ALA 86 N 1.82 1.49 -0.32 3.38 0.00 -1.97 0.17 119.26 123.83 1s62 h ALA 86 Ca 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1s62 h ALA 86 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1s62 h ALA 86 CO -0.01 0.45 -0.02 0.28 0.00 0.00 0.00 179.25 179.95 1s62 h VAL 87 N 1.01 1.27 -0.57 0.00 2.07 -1.68 -2.93 116.25 115.42 1s62 h VAL 87 Ca 0.31 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1s62 h VAL 87 Cb -0.02 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1s62 h VAL 87 CO -0.08 0.33 0.27 0.22 0.02 0.00 0.00 177.57 178.33 1s62 h TYR 88 N 0.37 0.82 -0.40 1.57 3.20 -1.01 0.08 116.97 121.60 1s62 h TYR 88 Ca 0.09 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1s62 h TYR 88 Cb 0.48 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1s62 h TYR 88 CO 0.04 0.63 0.27 0.93 -1.64 0.00 0.00 178.16 178.39 1s62 h GLU 89 N 0.77 0.30 0.00 1.82 4.39 -0.62 -1.74 114.58 119.50 1s62 h GLU 89 Ca 0.19 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 1s62 h GLU 89 Cb 0.12 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1s62 h GLU 89 CO -0.02 0.20 -0.40 0.28 -1.16 0.00 0.00 179.01 177.91 1s62 h VAL 90 N 0.31 0.22 0.00 3.13 2.07 -1.28 -3.39 116.25 117.31 1s62 h VAL 90 Ca 0.17 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1s62 h VAL 90 Cb 0.30 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1s62 h VAL 90 CO -0.04 0.08 0.00 -0.26 0.02 0.00 0.00 177.57 177.37 1s62 h PHE 91 N -1.00 0.00 0.00 1.57 0.04 -0.97 -2.25 116.94 114.33 1s62 h PHE 91 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1s62 h PHE 91 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1s62 h PHE 91 CO -0.08 0.00 0.00 0.36 -0.60 0.00 0.00 178.31 177.99 1s62 n LYS 92 N -2.92 0.14 -2.70 1.51 2.85 -0.66 -2.70 118.16 113.69 1s62 n LYS 92 Ca -0.01 0.46 -0.06 0.00 -1.05 0.00 0.00 58.31 57.66 1s62 n LYS 92 Cb 0.18 -1.82 0.09 0.00 -0.65 0.00 0.00 35.03 32.83 1s62 n LYS 92 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1s62 n ASN 93 N -2.11 -0.64 -3.67 -5.58 5.15 -0.87 -3.84 115.26 103.69 1s62 n ASN 93 Ca 0.01 -2.42 -0.29 0.00 -0.60 0.00 0.00 54.58 51.28 1s62 n ASN 93 Cb 0.16 0.42 -0.15 0.00 -0.53 0.00 0.00 39.78 39.67 1s62 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s62 s ALA 94 N -1.04 1.18 0.12 5.20 0.00 -1.05 -5.05 121.76 121.12 1s62 s ALA 94 Ca 0.21 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 1s62 s ALA 94 Cb 0.42 -1.49 -0.07 0.00 0.00 0.00 0.00 23.12 21.97 1s62 s ALA 94 CO -0.06 -1.60 1.24 -2.14 0.00 0.00 0.00 175.76 173.20 1s62 s PRO 95 N 1.80 4.42 0.20 0.00 0.02 -1.26 -4.65 135.00 135.53 1s62 s PRO 95 Ca 0.08 1.88 -0.15 0.00 0.02 0.00 0.00 61.00 62.83 1s62 s PRO 95 Cb -0.17 -3.29 -0.08 0.00 0.02 0.00 0.00 34.50 30.99 1s62 s PRO 95 CO -0.27 -0.24 0.62 -1.17 -0.33 0.00 0.00 177.00 175.61 1s62 s LEU 96 N 0.62 4.29 -0.66 -5.54 0.20 -0.92 -4.88 118.68 111.78 1s62 s LEU 96 Ca 0.58 1.17 -0.17 0.00 0.69 0.00 0.00 54.13 56.40 1s62 s LEU 96 Cb -0.32 -3.49 0.14 0.00 -0.43 0.00 0.00 46.19 42.08 1s62 s LEU 96 CO 0.32 0.03 0.70 -0.62 -0.29 0.00 0.00 176.35 176.49 1s62 s ASP 97 N -1.84 6.36 -0.42 3.68 2.15 -1.26 -1.13 116.67 124.21 1s62 s ASP 97 Ca 0.42 -1.90 -0.28 0.00 0.43 0.00 0.00 52.55 51.22 1s62 s ASP 97 Cb -0.14 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1s62 s ASP 97 CO 0.20 -0.91 1.53 0.12 -0.17 0.00 0.00 175.17 175.94 1s62 s PHE 98 N 1.76 2.20 -0.02 -5.34 5.36 0.24 -4.79 117.98 117.39 1s62 s PHE 98 Ca 0.12 0.64 0.02 0.00 -0.96 0.00 0.00 56.93 56.75 1s62 s PHE 98 Cb -0.21 -4.27 0.01 0.00 -0.34 0.00 0.00 43.02 38.21 1s62 s PHE 98 CO 0.00 -2.24 -0.07 -1.59 -1.46 0.00 0.00 175.22 169.86 1s62 s LYS 99 N 5.30 0.78 -0.16 10.12 -2.85 -1.26 -1.43 119.74 130.24 1s62 s LYS 99 Ca 0.65 -0.23 -0.35 0.00 -1.00 0.00 0.00 55.97 55.04 1s62 s LYS 99 Cb -0.15 -0.75 -0.16 0.00 -2.06 0.00 0.00 37.83 34.70 1s62 s LYS 99 CO 0.31 0.08 1.04 -2.30 0.10 0.00 0.00 175.35 174.58 1s62 n PRO 100 N 3.35 0.00 -0.76 1.78 -0.02 -1.26 -4.84 135.00 133.24 1s62 n PRO 100 Ca -0.18 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 60.98 1s62 n PRO 100 Cb 0.55 -1.21 0.15 0.00 -0.02 0.00 0.00 33.50 32.96 1s62 n PRO 100 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1s62 n HIS 101 N 2.02 0.41 -0.77 6.00 1.44 -1.26 -4.95 115.22 118.11 1s62 n HIS 101 Ca 0.20 0.37 0.00 0.00 -2.01 0.00 0.00 57.72 56.27 1s62 n HIS 101 Cb 0.02 -1.97 0.00 0.00 0.12 0.00 0.00 29.99 28.16 1s62 n HIS 101 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11