#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptl h ASN 2 N 0.00 -0.45 -4.13 1.62 4.21 -2.15 -3.47 115.58 111.21 2ptl h ASN 2 Ca 0.00 0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.70 2ptl h ASN 2 Cb 0.00 0.37 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 2ptl h ASN 2 CO 0.00 -0.19 -0.94 1.17 -1.29 0.00 0.00 177.43 176.18 2ptl n LYS 3 N -5.38 -4.81 0.00 0.81 4.81 -1.26 -4.98 118.16 107.35 2ptl n LYS 3 Ca 0.11 3.55 0.00 0.00 -0.87 0.00 0.00 58.31 61.10 2ptl n LYS 3 Cb 0.41 -3.98 0.00 0.00 0.02 0.00 0.00 35.03 31.48 2ptl n LYS 3 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2ptl n GLU 4 N -0.52 1.46 -0.83 1.64 0.00 -1.26 -5.13 120.64 116.00 2ptl n GLU 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2ptl n GLU 4 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 31.44 30.52 2ptl n GLU 4 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2ptl n GLU 5 N -2.10 -1.17 -3.52 5.31 2.13 -1.26 -5.04 120.64 114.99 2ptl n GLU 5 Ca 0.00 1.23 -0.26 0.00 0.66 0.00 0.00 57.16 58.79 2ptl n GLU 5 Cb 0.42 -0.89 -0.14 0.00 0.27 0.00 0.00 31.44 31.10 2ptl n GLU 5 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2ptl s THR 6 N -0.11 -0.16 -1.04 6.31 2.01 -1.26 -4.98 115.64 116.42 2ptl s THR 6 Ca 0.00 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.44 2ptl s THR 6 Cb 0.00 -0.91 0.03 0.00 0.01 0.00 0.00 72.50 71.63 2ptl s THR 6 CO 0.00 -0.59 1.09 -2.65 -0.69 0.00 0.00 174.62 171.78 2ptl n PRO 7 N 5.27 0.00 -1.01 4.92 -0.02 -1.26 -4.79 135.00 138.12 2ptl n PRO 7 Ca -0.05 0.43 -0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2ptl n PRO 7 Cb 0.44 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.42 2ptl n PRO 7 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2ptl n GLU 8 N -1.48 -0.03 -2.70 -0.52 4.07 -1.26 -4.88 120.64 113.84 2ptl n GLU 8 Ca 0.01 0.28 -0.06 0.00 -0.06 0.00 0.00 57.16 57.32 2ptl n GLU 8 Cb 0.04 -3.57 0.10 0.00 -0.06 0.00 0.00 31.44 27.95 2ptl n GLU 8 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2ptl n THR 9 N -2.99 0.00 -1.56 6.31 -2.24 -1.26 -5.08 114.28 107.47 2ptl n THR 9 Ca -0.00 -1.12 -0.19 0.00 -2.27 0.00 0.00 64.05 60.47 2ptl n THR 9 Cb 0.01 1.31 -0.07 0.00 -2.10 0.00 0.00 70.33 69.48 2ptl n THR 9 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2ptl n PRO 10 N 0.54 0.66 -2.70 -0.78 -0.01 -1.26 -4.65 135.00 126.80 2ptl n PRO 10 Ca 0.01 -0.61 -0.05 0.00 -0.01 0.00 0.00 63.50 62.84 2ptl n PRO 10 Cb 0.72 -3.55 0.06 0.00 -0.01 0.00 0.00 33.50 30.72 2ptl n PRO 10 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 2ptl n GLU 11 N 8.77 0.34 0.00 -0.52 0.28 -1.26 -5.14 120.64 123.11 2ptl n GLU 11 Ca 0.45 -1.07 0.00 0.00 -0.16 0.00 0.00 57.16 56.38 2ptl n GLU 11 Cb 0.45 -0.62 0.00 0.00 1.43 0.00 0.00 31.44 32.69 2ptl n GLU 11 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2ptl n THR 12 N 1.72 0.00 0.01 3.84 -2.24 -1.26 -3.89 114.28 112.46 2ptl n THR 12 Ca 0.05 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 2ptl n THR 12 Cb 0.67 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.78 2ptl n THR 12 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ptl n ASP 13 N -3.37 0.27 -3.27 3.42 5.75 -1.26 -4.92 116.55 113.17 2ptl n ASP 13 Ca 0.00 0.11 0.03 0.00 -0.01 0.00 0.00 54.79 54.92 2ptl n ASP 13 Cb 0.00 1.40 -0.03 0.00 -1.03 0.00 0.00 41.12 41.46 2ptl n ASP 13 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2ptl s SER 14 N -4.90 -0.41 -0.11 -1.12 0.01 -1.25 -5.09 113.70 100.83 2ptl s SER 14 Ca -0.06 0.46 -0.07 0.00 1.31 0.00 0.00 55.95 57.59 2ptl s SER 14 Cb 0.12 1.42 -0.03 0.00 0.21 0.00 0.00 66.02 67.74 2ptl s SER 14 CO 0.87 -0.08 0.40 -1.84 0.41 0.00 0.00 173.24 173.00 2ptl n GLU 15 N 5.00 0.00 -1.84 12.44 0.28 -1.26 -3.78 120.64 131.48 2ptl n GLU 15 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2ptl n GLU 15 Cb 0.54 -0.26 0.00 0.00 1.43 0.00 0.00 31.44 33.14 2ptl n GLU 15 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2ptl n GLU 16 N 1.36 -5.14 -2.11 3.44 -0.58 -1.26 -4.58 120.64 111.77 2ptl n GLU 16 Ca 0.10 3.70 -0.42 0.00 -0.42 0.00 0.00 57.16 60.12 2ptl n GLU 16 Cb -0.00 -4.06 0.00 0.00 -0.57 0.00 0.00 31.44 26.80 2ptl n GLU 16 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2ptl n GLU 17 N 0.64 3.54 -4.33 3.49 2.13 -1.25 -4.66 120.64 120.20 2ptl n GLU 17 Ca 0.00 -3.24 -0.22 0.00 0.66 0.00 0.00 57.16 54.35 2ptl n GLU 17 Cb 0.00 -2.98 -0.13 0.00 0.27 0.00 0.00 31.44 28.61 2ptl n GLU 17 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ptl s VAL 18 N 0.96 1.49 -0.20 6.31 1.01 -1.26 -5.06 120.40 123.65 2ptl s VAL 18 Ca 0.44 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2ptl s VAL 18 Cb 0.12 -1.36 0.10 0.00 0.00 0.00 0.00 36.38 35.24 2ptl s VAL 18 CO -0.03 -0.04 0.24 -0.89 0.00 0.00 0.00 175.10 174.38 2ptl s THR 19 N -1.09 -0.37 0.16 3.92 2.01 -1.26 -2.59 115.64 116.42 2ptl s THR 19 Ca 0.04 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 2ptl s THR 19 Cb -0.10 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 2ptl s THR 19 CO 0.03 -0.17 0.34 -0.51 -0.69 0.00 0.00 174.62 173.62 2ptl s ILE 20 N 2.36 5.24 0.20 1.82 2.07 0.58 -4.98 121.20 128.49 2ptl s ILE 20 Ca 0.07 -0.30 0.07 0.00 -1.41 0.00 0.00 60.65 59.09 2ptl s ILE 20 Cb -0.15 -3.69 -0.05 0.00 0.13 0.00 0.00 42.46 38.70 2ptl s ILE 20 CO -0.12 -0.06 -0.13 -0.75 -1.91 0.00 0.00 174.94 171.97 2ptl s LYS 21 N -3.00 1.28 0.33 3.50 2.20 -1.07 -1.62 119.74 121.36 2ptl s LYS 21 Ca 0.38 -1.57 -0.02 0.00 -0.36 0.00 0.00 55.97 54.40 2ptl s LYS 21 Cb -0.12 -1.02 0.01 0.00 -1.51 0.00 0.00 37.83 35.19 2ptl s LYS 21 CO 0.28 0.16 0.47 0.00 -0.36 0.00 0.00 175.35 175.89 2ptl n ALA 22 N -0.35 -0.39 -3.44 3.13 0.00 0.30 -2.91 120.51 116.84 2ptl n ALA 22 Ca -0.08 -1.48 -0.16 0.00 0.00 0.00 0.00 53.44 51.72 2ptl n ALA 22 Cb 0.61 1.19 -0.07 0.00 0.00 0.00 0.00 19.45 21.17 2ptl n ALA 22 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ptl s ASN 23 N -2.99 -0.53 -0.74 0.00 0.01 -1.15 -1.88 114.94 107.66 2ptl s ASN 23 Ca 0.26 0.60 0.04 0.00 -0.71 0.00 0.00 52.86 53.05 2ptl s ASN 23 Cb -0.01 0.55 0.27 0.00 0.41 0.00 0.00 41.25 42.47 2ptl s ASN 23 CO 0.19 -0.52 0.95 0.18 -1.51 0.00 0.00 177.10 176.39 2ptl n LEU 24 N 1.21 4.50 -4.81 0.60 4.77 -0.06 -3.36 117.00 119.84 2ptl n LEU 24 Ca -0.19 -5.42 -0.38 0.00 -0.03 0.00 0.00 56.01 50.00 2ptl n LEU 24 Cb 0.57 -0.80 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 2ptl n LEU 24 CO 0.22 2.01 0.35 -0.63 -1.33 0.00 0.00 177.39 178.00 2ptl s ILE 25 N -2.76 4.64 0.15 -0.08 1.01 -1.02 -0.14 121.20 123.00 2ptl s ILE 25 Ca 0.39 1.26 0.03 0.00 0.00 0.00 0.00 60.65 62.33 2ptl s ILE 25 Cb 0.14 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 2ptl s ILE 25 CO 0.00 0.40 -0.05 -0.36 0.00 0.00 0.00 174.94 174.93 2ptl s PHE 26 N -1.29 1.19 -0.08 3.97 0.40 -1.24 -0.57 117.98 120.35 2ptl s PHE 26 Ca 0.36 -0.88 0.13 0.00 -0.60 0.00 0.00 56.93 55.94 2ptl s PHE 26 Cb -0.19 -0.65 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 2ptl s PHE 26 CO 0.21 -0.07 1.25 0.00 0.70 0.00 0.00 175.22 177.31 2ptl h ALA 27 N 2.77 0.60 0.00 5.36 0.00 -1.19 -3.41 119.26 123.39 2ptl h ALA 27 Ca -0.36 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.86 2ptl h ALA 27 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ptl h ALA 27 CO 0.64 0.87 -0.09 0.27 0.00 0.00 0.00 179.25 180.93 2ptl n ASN 28 N -3.18 0.07 0.00 0.00 6.94 -1.25 -4.96 115.26 112.89 2ptl n ASN 28 Ca -0.02 0.26 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 2ptl n ASN 28 Cb 0.82 0.15 0.00 0.00 -2.36 0.00 0.00 39.78 38.39 2ptl n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ptl n GLY 29 N 1.93 -2.78 3.65 4.83 0.00 -1.26 -4.86 105.19 106.69 2ptl n GLY 29 Ca 0.00 0.60 -0.00 0.00 0.00 0.00 0.00 46.02 46.61 2ptl n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ptl s SER 30 N -2.61 -0.05 0.28 1.61 0.01 -1.26 -5.05 113.70 106.63 2ptl s SER 30 Ca 0.00 0.09 -0.28 0.00 1.31 0.00 0.00 55.95 57.06 2ptl s SER 30 Cb 0.00 0.50 -0.09 0.00 0.21 0.00 0.00 66.02 66.64 2ptl s SER 30 CO 0.00 -0.01 0.98 0.42 0.41 0.00 0.00 173.24 175.04 2ptl s THR 31 N 0.47 3.95 0.27 1.44 -4.23 -1.26 -3.68 115.64 112.60 2ptl s THR 31 Ca 0.01 1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 62.31 2ptl s THR 31 Cb -0.04 -4.12 0.02 0.00 1.34 0.00 0.00 72.50 69.70 2ptl s THR 31 CO -0.13 0.34 0.43 0.00 -0.54 0.00 0.00 174.62 174.72 2ptl n GLN 32 N 1.08 0.61 -4.14 3.99 6.02 0.80 -4.91 117.38 120.83 2ptl n GLN 32 Ca -0.00 -1.90 -0.11 0.00 -0.01 0.00 0.00 57.00 54.98 2ptl n GLN 32 Cb 0.47 1.98 -0.10 0.00 1.02 0.00 0.00 30.24 33.62 2ptl n GLN 32 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2ptl s THR 33 N -2.60 0.61 -0.26 5.09 -4.23 -1.26 -0.88 115.64 112.11 2ptl s THR 33 Ca 0.18 -1.76 -0.21 0.00 -1.18 0.00 0.00 61.69 58.72 2ptl s THR 33 Cb -0.02 -1.46 0.07 0.00 1.34 0.00 0.00 72.50 72.44 2ptl s THR 33 CO 0.13 -0.79 0.68 0.00 -0.54 0.00 0.00 174.62 174.10 2ptl s ALA 34 N -3.22 -1.74 0.15 3.99 0.00 -0.79 -4.57 121.76 115.58 2ptl s ALA 34 Ca 0.07 2.08 -0.01 0.00 0.00 0.00 0.00 51.96 54.11 2ptl s ALA 34 Cb 0.03 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 2ptl s ALA 34 CO -0.04 -0.34 0.08 -1.83 0.00 0.00 0.00 175.76 173.62 2ptl s GLU 35 N 0.81 1.01 0.04 0.00 -1.05 -1.26 0.11 118.70 118.35 2ptl s GLU 35 Ca -0.04 -1.49 -0.03 0.00 -0.15 0.00 0.00 54.97 53.27 2ptl s GLU 35 Cb -0.05 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.87 2ptl s GLU 35 CO -0.06 -0.30 0.02 -0.06 0.95 0.00 0.00 175.26 175.81 2ptl s PHE 36 N -4.08 0.31 0.36 4.83 0.40 -0.64 -4.89 117.98 114.26 2ptl s PHE 36 Ca 0.28 -0.68 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 2ptl s PHE 36 Cb 0.07 -0.23 -0.03 0.00 0.51 0.00 0.00 43.02 43.34 2ptl s PHE 36 CO 0.05 -0.32 0.17 0.15 0.70 0.00 0.00 175.22 175.97 2ptl s LYS 37 N -2.65 1.79 0.00 0.44 3.01 -1.26 -0.31 119.74 120.75 2ptl s LYS 37 Ca -0.05 -2.06 0.00 0.00 -1.01 0.00 0.00 55.97 52.86 2ptl s LYS 37 Cb -0.01 -0.27 0.00 0.00 -1.01 0.00 0.00 37.83 36.54 2ptl s LYS 37 CO -0.05 -0.50 0.00 0.41 0.51 0.00 0.00 175.35 175.72 2ptl n GLY 38 N -0.75 0.99 0.00 -3.33 0.00 -1.07 -4.91 105.19 96.13 2ptl n GLY 38 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2ptl n GLY 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ptl n THR 39 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.38 114.28 110.21 2ptl n THR 39 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2ptl n THR 39 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2ptl n THR 39 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2ptl n PHE 40 N -2.35 0.00 0.56 -1.42 7.35 -1.26 -4.73 117.46 115.61 2ptl n PHE 40 Ca 0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 2ptl n PHE 40 Cb 0.00 0.00 0.44 0.00 0.35 0.00 0.00 39.48 40.27 2ptl n PHE 40 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2ptl n GLU 41 N 0.00 0.22 0.27 -4.13 2.13 -1.26 -2.48 120.64 115.39 2ptl n GLU 41 Ca 0.00 0.28 0.11 0.00 0.66 0.00 0.00 57.16 58.21 2ptl n GLU 41 Cb 0.00 -1.81 0.73 0.00 0.27 0.00 0.00 31.44 30.63 2ptl n GLU 41 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2ptl h LYS 42 N 0.00 0.00 0.00 5.31 1.57 -2.00 0.29 116.57 121.74 2ptl h LYS 42 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2ptl h LYS 42 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2ptl h LYS 42 CO 0.00 0.06 -0.64 0.00 -0.57 0.00 0.00 179.45 178.29 2ptl h ALA 43 N 1.94 0.68 0.00 3.86 0.00 -1.78 -1.91 119.26 122.05 2ptl h ALA 43 Ca -0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 2ptl h ALA 43 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2ptl h ALA 43 CO 0.01 0.80 -0.51 1.15 0.00 0.00 0.00 179.25 180.70 2ptl h THR 44 N 0.00 1.13 0.10 0.00 2.02 -0.56 0.31 112.91 115.91 2ptl h THR 44 Ca -0.01 -1.90 -0.16 0.00 0.77 0.00 0.00 66.41 65.12 2ptl h THR 44 Cb 1.36 2.09 0.01 0.00 -1.74 0.00 0.00 68.15 69.88 2ptl h THR 44 CO 0.08 0.50 -0.75 -1.28 0.37 0.00 0.00 175.52 174.44 2ptl h SER 45 N 0.00 0.32 0.72 4.18 0.87 -1.16 -0.10 113.55 118.38 2ptl h SER 45 Ca -0.01 -0.92 -0.03 0.00 -1.23 0.00 0.00 61.79 59.61 2ptl h SER 45 Cb 1.05 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2ptl h SER 45 CO 0.07 1.35 -0.12 -0.33 -0.53 0.00 0.00 176.83 177.26 2ptl h GLU 46 N -0.54 0.00 0.10 2.24 3.07 -1.35 0.26 114.58 118.36 2ptl h GLU 46 Ca -0.15 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.47 2ptl h GLU 46 Cb 1.49 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.43 2ptl h GLU 46 CO 0.08 0.12 -1.02 0.00 -1.40 0.00 0.00 179.01 176.80 2ptl h ALA 47 N 1.88 -0.01 0.00 3.43 0.00 -0.38 0.32 119.26 124.50 2ptl h ALA 47 Ca -0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 2ptl h ALA 47 Cb 0.52 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ptl h ALA 47 CO 0.02 0.55 -0.12 -0.92 0.00 0.00 0.00 179.25 178.78 2ptl h TYR 48 N 0.06 0.00 0.00 0.00 5.03 -0.29 0.36 116.97 122.12 2ptl h TYR 48 Ca -0.15 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.04 2ptl h TYR 48 Cb 1.73 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.99 2ptl h TYR 48 CO 0.14 0.12 -0.67 0.00 -1.32 0.00 0.00 178.16 176.42 2ptl h ALA 49 N 1.88 0.65 -0.20 1.82 0.00 -0.78 -3.18 119.26 119.46 2ptl h ALA 49 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2ptl h ALA 49 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ptl h ALA 49 CO 0.02 0.69 0.13 -0.92 0.00 0.00 0.00 179.25 179.16 2ptl h TYR 50 N 0.00 0.25 0.00 0.00 3.20 0.37 -0.02 116.97 120.77 2ptl h TYR 50 Ca -0.03 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2ptl h TYR 50 Cb 1.43 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.61 2ptl h TYR 50 CO 0.00 0.16 -0.15 0.00 -1.64 0.00 0.00 178.16 176.52 2ptl h ALA 51 N 1.07 1.63 -0.06 1.82 0.00 -1.42 -1.41 119.26 120.89 2ptl h ALA 51 Ca 0.07 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2ptl h ALA 51 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2ptl h ALA 51 CO -0.02 0.19 -0.61 0.22 0.00 0.00 0.00 179.25 179.03 2ptl h ASP 52 N 0.00 0.24 1.84 0.00 1.82 -1.13 -2.83 116.42 116.35 2ptl h ASP 52 Ca -0.00 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2ptl h ASP 52 Cb 0.29 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.23 2ptl h ASP 52 CO 0.02 0.79 -0.10 0.00 -1.61 0.00 0.00 179.24 178.34 2ptl h THR 53 N 0.15 0.00 -0.34 2.25 1.03 -0.14 -3.21 112.91 112.66 2ptl h THR 53 Ca -0.01 -0.93 -0.10 0.00 -0.01 0.00 0.00 66.41 65.36 2ptl h THR 53 Cb 1.12 1.88 -0.06 0.00 -1.07 0.00 0.00 68.15 70.02 2ptl h THR 53 CO 0.09 0.00 0.13 -0.11 -0.01 0.00 0.00 175.52 175.62 2ptl n LEU 54 N -2.96 3.80 -4.09 0.00 7.94 -0.62 -4.71 117.00 116.36 2ptl n LEU 54 Ca 0.04 -1.96 -0.42 0.00 -1.11 0.00 0.00 56.01 52.56 2ptl n LEU 54 Cb 0.52 -0.61 0.00 0.00 0.53 0.00 0.00 43.42 43.86 2ptl n LEU 54 CO 0.34 0.56 2.37 0.29 -1.11 0.00 0.00 177.39 179.85 2ptl n LYS 55 N 0.05 3.01 -0.00 1.96 5.02 -1.21 -4.70 118.16 122.28 2ptl n LYS 55 Ca 0.19 -2.91 -0.01 0.00 -2.02 0.00 0.00 58.31 53.56 2ptl n LYS 55 Cb 0.83 -3.37 -0.00 0.00 -0.02 0.00 0.00 35.03 32.46 2ptl n LYS 55 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2ptl h LYS 56 N 6.66 -0.07 0.00 1.97 3.64 -1.93 -3.43 116.57 123.41 2ptl h LYS 56 Ca 0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 2ptl h LYS 56 Cb 0.74 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2ptl h LYS 56 CO 1.70 -0.04 -0.19 -3.47 -2.27 0.00 0.00 179.45 175.18 2ptl n ASP 57 N -3.80 0.54 0.00 4.20 2.03 -1.26 -4.90 116.55 113.34 2ptl n ASP 57 Ca -0.01 -1.76 0.00 0.00 0.52 0.00 0.00 54.79 53.54 2ptl n ASP 57 Cb 0.03 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 2ptl n ASP 57 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2ptl n ASN 58 N -0.24 0.00 0.00 1.67 3.02 -1.26 -4.28 115.26 114.17 2ptl n ASN 58 Ca 0.02 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2ptl n ASN 58 Cb 0.56 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2ptl n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ptl n GLY 59 N 1.78 0.72 0.00 7.41 0.00 -1.26 -4.18 105.19 109.66 2ptl n GLY 59 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ptl n GLY 59 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ptl n GLU 60 N -2.56 0.00 -3.84 1.61 0.28 -1.26 -5.06 120.64 109.81 2ptl n GLU 60 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 2ptl n GLU 60 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 2ptl n GLU 60 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 2ptl s TYR 61 N -2.00 -0.13 -0.32 -1.84 1.13 -1.26 -1.76 117.35 111.17 2ptl s TYR 61 Ca 0.00 -0.33 0.03 0.00 -1.41 0.00 0.00 57.07 55.36 2ptl s TYR 61 Cb 0.00 0.72 0.09 0.00 -1.10 0.00 0.00 41.96 41.67 2ptl s TYR 61 CO 0.00 -1.22 0.01 0.99 -2.51 0.00 0.00 175.55 172.82 2ptl s THR 62 N -3.57 2.18 0.17 -3.49 2.01 -0.83 -4.82 115.64 107.29 2ptl s THR 62 Ca 0.12 -2.10 -0.30 0.00 0.31 0.00 0.00 61.69 59.72 2ptl s THR 62 Cb -0.05 -2.52 -0.07 0.00 0.01 0.00 0.00 72.50 69.86 2ptl s THR 62 CO 0.07 -0.44 1.00 -0.69 -0.69 0.00 0.00 174.62 173.86 2ptl s VAL 63 N 0.99 4.19 0.79 3.82 1.01 -1.26 -2.26 120.40 127.68 2ptl s VAL 63 Ca 0.05 1.93 -0.06 0.00 0.00 0.00 0.00 61.98 63.90 2ptl s VAL 63 Cb -0.19 -4.23 0.14 0.00 0.00 0.00 0.00 36.38 32.10 2ptl s VAL 63 CO -0.08 0.35 1.10 -1.81 0.00 0.00 0.00 175.10 174.66 2ptl s ASP 64 N -0.34 4.04 -0.32 3.32 1.01 -0.14 -4.86 116.67 119.38 2ptl s ASP 64 Ca 0.46 -0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.66 2ptl s ASP 64 Cb -0.26 -0.27 0.13 0.00 1.01 0.00 0.00 42.92 43.53 2ptl s ASP 64 CO 0.32 -2.09 0.23 -0.69 0.21 0.00 0.00 175.17 173.16 2ptl s VAL 65 N -3.38 -0.13 0.15 -1.27 1.01 -1.26 -4.02 120.40 111.49 2ptl s VAL 65 Ca 0.68 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2ptl s VAL 65 Cb -0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 2ptl s VAL 65 CO 0.47 -0.72 0.14 0.00 0.00 0.00 0.00 175.10 174.99 2ptl n ALA 66 N 4.74 0.30 -3.10 5.51 0.00 -0.96 -4.75 120.51 122.25 2ptl n ALA 66 Ca 0.03 -0.89 -0.20 0.00 0.00 0.00 0.00 53.44 52.39 2ptl n ALA 66 Cb 0.42 0.72 0.04 0.00 0.00 0.00 0.00 19.45 20.63 2ptl n ALA 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ptl n ASP 67 N -2.36 -5.66 -0.73 0.00 -0.08 -1.26 -1.62 116.55 104.84 2ptl n ASP 67 Ca 0.03 -0.32 -0.09 0.00 -1.51 0.00 0.00 54.79 52.90 2ptl n ASP 67 Cb 0.28 -4.41 -0.04 0.00 2.34 0.00 0.00 41.12 39.28 2ptl n ASP 67 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2ptl n LYS 68 N -3.88 -0.66 -0.70 -0.67 2.85 -1.26 -2.43 118.16 111.40 2ptl n LYS 68 Ca -0.06 0.83 0.00 0.00 -1.05 0.00 0.00 58.31 58.02 2ptl n LYS 68 Cb 0.59 -4.73 0.00 0.00 -0.65 0.00 0.00 35.03 30.24 2ptl n LYS 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ptl n GLY 69 N -1.81 0.57 0.02 2.58 0.00 -0.64 -4.92 105.19 100.99 2ptl n GLY 69 Ca -0.09 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.23 2ptl n GLY 69 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ptl n TYR 70 N -2.70 0.00 -4.10 1.61 9.36 -1.02 -4.93 117.16 115.39 2ptl n TYR 70 Ca 0.00 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.88 2ptl n TYR 70 Cb 0.00 -0.41 -0.10 0.00 -0.63 0.00 0.00 39.34 38.20 2ptl n TYR 70 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2ptl s THR 71 N -2.84 4.60 -0.30 2.97 -4.23 -0.72 -2.58 115.64 112.54 2ptl s THR 71 Ca -0.06 -0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.34 2ptl s THR 71 Cb 0.08 -3.06 0.09 0.00 1.34 0.00 0.00 72.50 70.96 2ptl s THR 71 CO 0.59 0.48 0.08 -1.48 -0.54 0.00 0.00 174.62 173.75 2ptl s LEU 72 N 0.28 2.34 -0.67 4.79 2.34 -1.15 -2.27 118.68 124.35 2ptl s LEU 72 Ca 0.02 -1.57 -0.26 0.00 0.06 0.00 0.00 54.13 52.38 2ptl s LEU 72 Cb -0.13 -0.91 0.04 0.00 -0.56 0.00 0.00 46.19 44.63 2ptl s LEU 72 CO 0.01 -0.39 1.15 0.20 -1.06 0.00 0.00 176.35 176.26 2ptl s ASN 73 N 1.58 6.24 0.41 1.48 0.01 -1.26 -2.94 114.94 120.46 2ptl s ASN 73 Ca 0.08 -0.45 -0.22 0.00 -0.71 0.00 0.00 52.86 51.56 2ptl s ASN 73 Cb -0.17 -2.51 -0.11 0.00 0.41 0.00 0.00 41.25 38.87 2ptl s ASN 73 CO -0.21 -1.61 0.96 -0.63 -1.51 0.00 0.00 177.10 174.09 2ptl s ILE 74 N 5.01 4.30 -0.42 0.60 1.01 -1.21 -0.96 121.20 129.52 2ptl s ILE 74 Ca 0.33 1.52 0.03 0.00 0.00 0.00 0.00 60.65 62.53 2ptl s ILE 74 Cb -0.10 -3.67 0.16 0.00 0.01 0.00 0.00 42.46 38.87 2ptl s ILE 74 CO 0.16 -0.22 0.33 -0.54 0.00 0.00 0.00 174.94 174.67 2ptl s LYS 75 N -2.96 0.95 0.55 2.79 -0.14 -0.96 -2.44 119.74 117.54 2ptl s LYS 75 Ca 0.60 -2.07 -0.20 0.00 -1.36 0.00 0.00 55.97 52.95 2ptl s LYS 75 Cb -0.12 -1.54 -0.05 0.00 -1.68 0.00 0.00 37.83 34.44 2ptl s LYS 75 CO 0.16 -1.35 1.16 -0.06 -0.76 0.00 0.00 175.35 174.50 2ptl s PHE 76 N 0.12 2.60 -0.03 3.18 0.40 0.26 -1.96 117.98 122.56 2ptl s PHE 76 Ca 0.30 1.53 -0.00 0.00 -0.60 0.00 0.00 56.93 58.16 2ptl s PHE 76 Cb -0.01 -3.37 -0.00 0.00 0.51 0.00 0.00 43.02 40.15 2ptl s PHE 76 CO -0.16 -1.79 -0.00 0.00 0.70 0.00 0.00 175.22 173.97 2ptl h ALA 77 N 1.22 0.00 0.00 5.36 0.00 -1.66 -2.29 119.26 121.88 2ptl h ALA 77 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2ptl h ALA 77 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ptl h ALA 77 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23