#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl s LYS 2 N 0.00 3.29 0.03 3.23 1.02 -1.26 -4.92 119.74 121.13 1snl s LYS 2 Ca 0.00 -1.71 -0.26 0.00 0.02 0.00 0.00 55.97 54.02 1snl s LYS 2 Cb 0.00 -4.44 -0.14 0.00 -0.52 0.00 0.00 37.83 32.73 1snl s LYS 2 CO 0.00 -1.51 1.28 1.49 -0.92 0.00 0.00 175.35 175.68 1snl h GLU 3 N 8.75 -0.90 -3.86 1.68 4.81 -2.14 -3.49 114.58 119.44 1snl h GLU 3 Ca -0.11 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1snl h GLU 3 Cb 1.06 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1snl h GLU 3 CO 1.01 -0.60 -0.99 0.28 -0.73 0.00 0.00 179.01 177.98 1snl n VAL 4 N -4.75 -3.31 -2.30 0.32 0.31 -1.26 -4.56 118.33 102.78 1snl n VAL 4 Ca -0.12 1.63 -0.41 0.00 -0.01 0.00 0.00 64.34 65.43 1snl n VAL 4 Cb 0.37 -2.62 -0.03 0.00 -0.91 0.00 0.00 33.84 30.66 1snl n VAL 4 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1snl s TRP 5 N -5.21 2.14 1.10 3.52 0.52 -1.26 -4.98 118.94 114.76 1snl s TRP 5 Ca 0.00 0.53 -0.12 0.00 0.02 0.00 0.00 56.10 56.53 1snl s TRP 5 Cb 0.00 -4.32 0.25 0.00 -1.15 0.00 0.00 33.47 28.25 1snl s TRP 5 CO 0.00 -2.13 1.05 -1.21 0.02 0.00 0.00 176.95 174.68 1snl s GLU 6 N 5.74 -0.43 -0.38 4.98 2.02 -1.26 -5.03 118.70 124.34 1snl s GLU 6 Ca 0.57 0.96 0.03 0.00 0.02 0.00 0.00 54.97 56.55 1snl s GLU 6 Cb -0.12 -1.60 0.18 0.00 0.10 0.00 0.00 34.13 32.69 1snl s GLU 6 CO 0.25 -3.43 0.75 -2.00 0.02 0.00 0.00 175.26 170.85 1snl s GLU 7 N -4.54 0.62 0.72 1.61 2.12 -1.26 -5.15 118.70 112.82 1snl s GLU 7 Ca 0.68 -0.16 -0.14 0.00 0.36 0.00 0.00 54.97 55.70 1snl s GLU 7 Cb -0.24 0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.27 1snl s GLU 7 CO 0.63 -0.91 1.15 -0.51 -0.54 0.00 0.00 175.26 175.08 1snl s LEU 8 N 1.94 3.27 0.03 2.70 1.43 -1.26 -5.05 118.68 121.74 1snl s LEU 8 Ca 0.16 2.13 -0.01 0.00 -1.03 0.00 0.00 54.13 55.38 1snl s LEU 8 Cb -0.02 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.61 1snl s LEU 8 CO -0.10 -2.05 -0.02 -0.62 0.23 0.00 0.00 176.35 173.79 1snl s ASP 9 N -2.48 0.28 0.00 2.29 2.15 -1.26 -4.78 116.67 112.87 1snl s ASP 9 Ca 0.69 -0.59 0.00 0.00 0.43 0.00 0.00 52.55 53.08 1snl s ASP 9 Cb -0.23 0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.51 1snl s ASP 9 CO 0.46 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.70 1snl n GLY 10 N 1.26 0.66 1.62 2.66 0.00 -1.26 -4.07 105.19 106.05 1snl n GLY 10 Ca -0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 1snl n GLY 10 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1snl n LEU 11 N 0.00 -2.71 -4.40 0.99 7.94 -1.26 -4.92 117.00 112.63 1snl n LEU 11 Ca 0.00 0.41 -0.38 0.00 -1.11 0.00 0.00 56.01 54.92 1snl n LEU 11 Cb 0.00 -1.39 0.03 0.00 0.53 0.00 0.00 43.42 42.59 1snl n LEU 11 CO 0.00 -0.66 -0.16 -0.90 -1.11 0.00 0.00 177.39 174.56 1snl n ASP 12 N 0.29 -1.86 -0.20 1.96 5.68 -1.26 -4.69 116.55 116.47 1snl n ASP 12 Ca -0.06 0.71 0.00 0.00 -0.50 0.00 0.00 54.79 54.94 1snl n ASP 12 Cb 0.10 -1.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.00 1snl n ASP 12 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1snl n PRO 13 N 0.42 0.25 -1.47 0.11 -0.04 -1.26 -4.30 135.00 128.71 1snl n PRO 13 Ca 0.10 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.16 1snl n PRO 13 Cb 0.47 -1.05 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 1snl n PRO 13 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1snl n ASN 14 N -0.14 7.24 -4.16 3.54 2.85 -1.26 -4.96 115.26 118.37 1snl n ASN 14 Ca 0.00 -2.68 -0.35 0.00 -0.11 0.00 0.00 54.58 51.44 1snl n ASN 14 Cb 0.03 -1.58 0.11 0.00 1.24 0.00 0.00 39.78 39.58 1snl n ASN 14 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1snl n ARG 15 N 4.28 -0.91 -0.15 1.20 1.85 -1.26 -4.90 116.66 116.76 1snl n ARG 15 Ca 0.70 -0.26 -0.08 0.00 -1.00 0.00 0.00 57.85 57.21 1snl n ARG 15 Cb 0.28 -1.40 0.08 0.00 -1.05 0.00 0.00 32.46 30.36 1snl n ARG 15 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1snl n PHE 16 N -4.01 -2.01 -2.82 2.89 3.01 -1.26 -5.01 117.46 108.26 1snl n PHE 16 Ca -0.00 -0.14 -0.11 0.00 1.01 0.00 0.00 57.45 58.21 1snl n PHE 16 Cb 0.68 -0.49 0.04 0.00 -0.01 0.00 0.00 39.48 39.70 1snl n PHE 16 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1snl n ASN 17 N -2.47 -2.22 0.28 4.37 4.05 -1.26 -4.96 115.26 113.04 1snl n ASN 17 Ca 0.04 -3.32 0.19 0.00 0.45 0.00 0.00 54.58 51.93 1snl n ASN 17 Cb 0.16 1.45 0.91 0.00 1.23 0.00 0.00 39.78 43.53 1snl n ASN 17 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1snl h PRO 18 N 3.70 0.00 -0.98 1.20 0.13 -2.02 -2.90 132.00 131.13 1snl h PRO 18 Ca -0.10 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.12 1snl h PRO 18 Cb 1.03 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.08 1snl h PRO 18 CO 0.30 0.00 0.63 -0.22 -0.23 0.00 0.00 178.00 178.48 1snl h LYS 19 N 0.00 1.04 -0.28 0.86 3.64 -2.01 -2.37 116.57 117.45 1snl h LYS 19 Ca 0.00 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 1snl h LYS 19 Cb 0.18 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1snl h LYS 19 CO 0.00 0.69 -0.51 1.15 -2.27 0.00 0.00 179.45 178.50 1snl h THR 20 N 1.07 1.28 -0.66 1.00 2.02 -1.95 -2.78 112.91 112.89 1snl h THR 20 Ca 0.45 -1.71 0.10 0.00 0.77 0.00 0.00 66.41 66.03 1snl h THR 20 Cb 0.31 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 1snl h THR 20 CO -0.20 0.55 0.44 0.15 0.37 0.00 0.00 175.52 176.83 1snl h PHE 21 N 0.63 0.51 -0.23 3.16 3.04 -1.59 0.15 116.94 122.61 1snl h PHE 21 Ca 0.02 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.87 1snl h PHE 21 Cb 1.10 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.43 1snl h PHE 21 CO 0.06 0.24 -0.36 0.35 -2.02 0.00 0.00 178.31 176.58 1snl h PHE 22 N 0.48 0.59 0.49 0.41 3.04 -1.29 -2.65 116.94 118.01 1snl h PHE 22 Ca 0.31 -0.16 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1snl h PHE 22 Cb 0.57 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.95 1snl h PHE 22 CO -0.00 0.80 -0.24 0.82 -2.02 0.00 0.00 178.31 177.67 1snl h ILE 23 N 0.43 0.00 -1.06 1.41 2.04 -0.57 -2.32 117.51 117.44 1snl h ILE 23 Ca 0.05 -0.48 0.32 0.00 1.00 0.00 0.00 64.86 65.75 1snl h ILE 23 Cb 0.82 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.77 1snl h ILE 23 CO 0.07 0.00 0.64 0.25 0.00 0.00 0.00 178.15 179.11 1snl h LEU 24 N -1.14 0.49 -0.03 1.44 5.85 -1.30 1.38 115.31 121.99 1snl h LEU 24 Ca -0.07 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1snl h LEU 24 Cb 0.51 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1snl h LEU 24 CO 0.11 -0.06 0.00 1.41 -0.34 0.00 0.00 178.44 179.57 1snl n HIS 25 N -4.88 0.36 -2.62 1.25 8.25 -1.00 -4.52 115.22 112.06 1snl n HIS 25 Ca 0.30 0.11 -0.41 0.00 -0.26 0.00 0.00 57.72 57.46 1snl n HIS 25 Cb 0.99 -0.68 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 1snl n HIS 25 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1snl s ASP 26 N -3.59 6.42 -0.09 0.41 1.11 0.47 -4.83 116.67 116.58 1snl s ASP 26 Ca 0.12 -1.28 -0.25 0.00 0.18 0.00 0.00 52.55 51.33 1snl s ASP 26 Cb 0.16 -2.54 -0.21 0.00 1.07 0.00 0.00 42.92 41.40 1snl s ASP 26 CO 0.53 -1.52 0.88 0.40 1.18 0.00 0.00 175.17 176.63 1snl h ILE 27 N 6.46 1.37 -0.28 0.77 2.04 -1.80 -3.26 117.51 122.82 1snl h ILE 27 Ca 0.06 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1snl h ILE 27 Cb 1.02 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 1snl h ILE 27 CO 1.34 0.40 0.00 -3.20 0.00 0.00 0.00 178.15 176.70 1snl n ASN 28 N -4.75 1.97 -4.05 1.72 4.05 -1.26 -4.92 115.26 108.01 1snl n ASN 28 Ca -0.08 -2.11 -0.37 0.00 0.45 0.00 0.00 54.58 52.47 1snl n ASN 28 Cb 0.34 -0.31 -0.01 0.00 1.23 0.00 0.00 39.78 41.03 1snl n ASN 28 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1snl n SER 29 N 0.33 -2.36 -0.32 1.20 2.88 -1.23 -4.82 113.62 109.30 1snl n SER 29 Ca 0.10 -1.20 0.11 0.00 -1.33 0.00 0.00 58.87 56.55 1snl n SER 29 Cb 0.36 -2.17 0.04 0.00 -0.75 0.00 0.00 64.21 61.69 1snl n SER 29 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1snl n ASP 30 N -2.57 1.57 0.00 -3.46 5.68 -1.26 -4.93 116.55 111.58 1snl n ASP 30 Ca -0.20 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1snl n ASP 30 Cb 0.62 0.53 0.00 0.00 -1.14 0.00 0.00 41.12 41.13 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1snl n GLY 31 N 1.43 1.65 3.15 6.12 0.00 -1.26 -4.97 105.19 111.30 1snl n GLY 31 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 1snl n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snl s VAL 32 N -3.48 0.14 -0.16 1.61 -7.23 -1.26 -3.74 120.40 106.28 1snl s VAL 32 Ca 0.00 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1snl s VAL 32 Cb 0.00 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 35.15 1snl s VAL 32 CO 0.00 -0.65 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.18 1snl s LEU 33 N -2.99 2.08 0.58 1.32 1.43 -1.04 -4.98 118.68 115.08 1snl s LEU 33 Ca 0.17 -0.62 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 1snl s LEU 33 Cb 0.07 -1.44 0.08 0.00 0.03 0.00 0.00 46.19 44.93 1snl s LEU 33 CO -0.03 0.02 0.66 1.51 0.23 0.00 0.00 176.35 178.73 1snl s ASP 34 N 1.16 4.87 0.30 2.29 -4.77 -1.26 -2.74 116.67 116.53 1snl s ASP 34 Ca 0.01 -1.05 0.16 0.00 -3.30 0.00 0.00 52.55 48.37 1snl s ASP 34 Cb -0.14 0.45 0.88 0.00 -1.09 0.00 0.00 42.92 43.02 1snl s ASP 34 CO -0.09 -1.31 1.43 1.21 0.70 0.00 0.00 175.17 177.11 1snl n GLU 35 N -2.10 0.11 0.07 2.11 0.00 -1.25 -0.80 120.64 118.79 1snl n GLU 35 Ca 0.09 0.59 -0.04 0.00 0.00 0.00 0.00 57.16 57.80 1snl n GLU 35 Cb 0.63 -2.01 -0.08 0.00 0.00 0.00 0.00 31.44 29.99 1snl n GLU 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 1snl h GLN 36 N 0.00 0.00 0.18 5.31 -0.00 -1.94 -2.41 115.11 116.25 1snl h GLN 36 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.34 1snl h GLN 36 Cb 0.31 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.81 1snl h GLN 36 CO 0.00 0.70 -1.43 0.93 -0.00 0.00 0.00 178.83 179.02 1snl h GLU 37 N 0.00 0.37 -0.03 0.06 4.39 -1.33 -3.10 114.58 114.95 1snl h GLU 37 Ca -0.07 -0.64 -0.16 0.00 0.34 0.00 0.00 59.36 58.83 1snl h GLU 37 Cb 1.67 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 30.55 1snl h GLU 37 CO 0.09 1.29 -0.70 -0.07 -1.16 0.00 0.00 179.01 178.46 1snl h LEU 38 N 0.10 0.19 -0.22 1.33 3.38 -1.62 -1.46 115.31 117.02 1snl h LEU 38 Ca -0.22 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1snl h LEU 38 Cb 2.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 1snl h LEU 38 CO 0.22 0.83 0.14 -0.08 0.09 0.00 0.00 178.44 179.64 1snl h GLU 39 N 0.11 0.28 0.00 1.13 4.81 -1.49 -1.55 114.58 117.88 1snl h GLU 39 Ca -0.02 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1snl h GLU 39 Cb 1.25 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1snl h GLU 39 CO 0.10 0.19 -0.59 0.00 -0.73 0.00 0.00 179.01 177.98 1snl h ALA 40 N 1.08 0.91 0.00 2.92 0.00 -1.47 -3.01 119.26 119.69 1snl h ALA 40 Ca 0.08 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1snl h ALA 40 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1snl h ALA 40 CO -0.02 0.74 -0.35 1.25 0.00 0.00 0.00 179.25 180.87 1snl h LEU 41 N 0.00 0.00 0.00 0.00 6.46 -0.79 -2.24 115.31 118.74 1snl h LEU 41 Ca -0.01 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1snl h LEU 41 Cb 1.12 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.05 1snl h LEU 41 CO 0.08 0.35 -0.18 -0.26 -0.62 0.00 0.00 178.44 177.81 1snl h PHE 42 N 0.00 0.00 -0.35 1.25 0.04 -1.22 -2.89 116.94 113.77 1snl h PHE 42 Ca -0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.77 1snl h PHE 42 Cb 0.88 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 1snl h PHE 42 CO 0.00 0.93 0.23 1.15 -0.60 0.00 0.00 178.31 180.02 1snl h THR 43 N -1.00 1.08 -0.09 -1.55 2.02 -1.59 -2.29 112.91 109.49 1snl h THR 43 Ca -0.05 -0.15 -0.21 0.00 0.77 0.00 0.00 66.41 66.77 1snl h THR 43 Cb 0.91 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1snl h THR 43 CO -0.03 0.08 -0.79 0.50 0.37 0.00 0.00 175.52 175.66 1snl h LYS 44 N 0.45 0.54 -0.67 6.66 3.64 -1.51 -3.02 116.57 122.67 1snl h LYS 44 Ca 0.13 -0.46 0.10 0.00 -1.27 0.00 0.00 60.65 59.15 1snl h LYS 44 Cb -0.02 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1snl h LYS 44 CO -0.03 1.09 0.44 0.93 -2.27 0.00 0.00 179.45 179.62 1snl h GLU 45 N 0.36 0.48 0.00 1.90 4.39 -1.19 0.72 114.58 121.24 1snl h GLU 45 Ca -0.05 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1snl h GLU 45 Cb 1.39 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1snl h GLU 45 CO 0.15 0.32 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.09 1snl h LEU 46 N 0.50 0.00 -0.91 1.33 3.38 -1.46 -2.22 115.31 115.93 1snl h LEU 46 Ca 0.31 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 1snl h LEU 46 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1snl h LEU 46 CO -0.10 0.16 -0.54 -0.33 0.09 0.00 0.00 178.44 177.72 1snl h GLU 47 N 0.00 0.00 -0.55 1.13 4.39 0.44 0.53 114.58 120.52 1snl h GLU 47 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1snl h GLU 47 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1snl h GLU 47 CO 0.02 0.54 0.00 1.63 -1.16 0.00 0.00 179.01 180.04 1snl n LYS 48 N -3.89 2.45 0.16 2.33 5.02 -0.84 -4.55 118.16 118.83 1snl n LYS 48 Ca -0.01 -1.62 0.00 0.00 -2.02 0.00 0.00 58.31 54.66 1snl n LYS 48 Cb 0.55 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1snl n VAL 49 N 0.59 0.00 0.00 -0.18 0.31 -1.02 -5.10 118.33 112.92 1snl n VAL 49 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1snl n VAL 49 Cb 0.52 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 1snl n VAL 49 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1snl n TYR 50 N -3.35 -0.05 -2.68 3.52 4.02 0.18 -5.07 117.16 113.73 1snl n TYR 50 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 1snl n TYR 50 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.38 1snl n TYR 50 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1snl n ASP 51 N 0.00 -1.67 -4.08 7.72 -0.08 -1.26 -4.82 116.55 112.36 1snl n ASP 51 Ca 0.00 -1.91 -0.29 0.00 -1.51 0.00 0.00 54.79 51.07 1snl n ASP 51 Cb 0.00 0.94 0.24 0.00 2.34 0.00 0.00 41.12 44.64 1snl n ASP 51 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1snl s PRO 52 N 0.40 -1.27 0.00 -0.67 0.04 -1.26 -5.00 135.00 127.24 1snl s PRO 52 Ca 0.27 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1snl s PRO 52 Cb 0.19 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 33.17 1snl s PRO 52 CO -0.11 -3.82 0.00 0.36 0.04 0.00 0.00 177.00 173.47 1snl n LYS 53 N -4.91 0.00 -1.90 4.56 0.00 -1.26 -5.01 118.16 109.64 1snl n LYS 53 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.39 1snl n LYS 53 Cb 0.58 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.63 1snl n LYS 53 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1snl n ASN 54 N 0.00 0.28 -4.61 -5.58 2.04 -1.26 -5.11 115.26 101.02 1snl n ASN 54 Ca 0.00 -2.04 -0.24 0.00 -0.44 0.00 0.00 54.58 51.86 1snl n ASN 54 Cb 0.00 -0.05 -0.08 0.00 -2.53 0.00 0.00 39.78 37.12 1snl n ASN 54 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 1snl s GLU 55 N -0.92 2.10 -0.43 -3.83 2.56 -1.26 -5.11 118.70 111.81 1snl s GLU 55 Ca 0.20 -1.59 0.02 0.00 0.00 0.00 0.00 54.97 53.60 1snl s GLU 55 Cb 0.29 -2.01 0.15 0.00 2.00 0.00 0.00 34.13 34.56 1snl s GLU 55 CO -0.09 0.28 0.27 -1.21 -0.56 0.00 0.00 175.26 173.95 1snl s GLU 56 N -3.66 1.11 0.05 4.30 8.01 -1.26 -4.91 118.70 122.35 1snl s GLU 56 Ca 0.32 -1.95 0.00 0.00 0.01 0.00 0.00 54.97 53.36 1snl s GLU 56 Cb -0.04 -1.98 0.00 0.00 -4.31 0.00 0.00 34.13 27.79 1snl s GLU 56 CO 0.19 -1.22 0.00 -3.47 0.01 0.00 0.00 175.26 170.76 1snl n ASP 57 N 3.44 -0.45 0.32 -0.19 -0.08 -1.26 -4.92 116.55 113.41 1snl n ASP 57 Ca 0.14 0.16 0.19 0.00 -1.51 0.00 0.00 54.79 53.77 1snl n ASP 57 Cb 0.37 0.64 1.02 0.00 2.34 0.00 0.00 41.12 45.50 1snl n ASP 57 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1snl h ASP 58 N 0.00 0.00 -1.21 1.67 3.32 -2.04 -1.56 116.42 116.61 1snl h ASP 58 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1snl h ASP 58 Cb 0.00 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.30 1snl h ASP 58 CO 0.00 0.00 0.80 0.23 -1.72 0.00 0.00 179.24 178.55 1snl n MET 59 N -3.09 2.53 0.09 3.56 2.81 -1.26 -4.25 117.12 117.51 1snl n MET 59 Ca -0.02 -2.96 0.00 0.00 -1.81 0.00 0.00 57.70 52.91 1snl n MET 59 Cb 0.22 -2.16 0.00 0.00 -0.71 0.00 0.00 33.22 30.58 1snl n MET 59 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1snl n ARG 60 N -0.39 0.00 -0.33 0.03 1.74 -0.59 -4.76 116.66 112.36 1snl n ARG 60 Ca 0.53 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.59 1snl n ARG 60 Cb 0.51 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.06 1snl n ARG 60 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1snl h GLU 61 N 0.00 1.14 0.00 5.56 5.08 -1.76 -0.27 114.58 124.33 1snl h GLU 61 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1snl h GLU 61 Cb 0.00 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.99 1snl h GLU 61 CO 0.00 0.76 0.00 0.00 -1.00 0.00 0.00 179.01 178.77 1snl n MET 62 N -4.49 0.18 -0.15 2.33 0.00 -1.26 -3.59 117.12 110.14 1snl n MET 62 Ca 0.11 0.39 0.23 0.00 0.00 0.00 0.00 57.70 58.43 1snl n MET 62 Cb 0.05 -1.83 0.35 0.00 0.00 0.00 0.00 33.22 31.79 1snl n MET 62 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1snl n GLU 63 N -2.17 0.01 0.26 3.17 0.28 -0.11 0.17 120.64 122.26 1snl n GLU 63 Ca 0.02 0.91 0.17 0.00 -0.16 0.00 0.00 57.16 58.11 1snl n GLU 63 Cb 0.24 -2.28 0.92 0.00 1.43 0.00 0.00 31.44 31.75 1snl n GLU 63 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1snl h GLU 64 N 0.00 0.00 0.00 3.44 4.39 -1.78 -1.96 114.58 118.67 1snl h GLU 64 Ca 0.40 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 60.00 1snl h GLU 64 Cb 2.56 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 31.22 1snl h GLU 64 CO -0.00 0.00 -0.41 1.49 -1.16 0.00 0.00 179.01 178.92 1snl h GLU 65 N 0.00 0.28 -0.49 2.33 4.57 0.14 -2.50 114.58 118.91 1snl h GLU 65 Ca 0.04 -0.30 0.08 0.00 -1.18 0.00 0.00 59.36 58.00 1snl h GLU 65 Cb 0.30 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.91 1snl h GLU 65 CO -0.00 1.01 0.10 0.00 -1.18 0.00 0.00 179.01 178.94 1snl h ARG 66 N -0.33 0.23 0.00 1.92 3.08 -1.51 0.85 114.38 118.62 1snl h ARG 66 Ca -0.05 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1snl h ARG 66 Cb 1.16 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1snl h ARG 66 CO 0.08 0.15 -0.30 -0.07 -1.07 0.00 0.00 179.97 178.76 1snl h LEU 67 N 0.24 0.00 -1.01 3.04 3.38 -1.59 -1.29 115.31 118.08 1snl h LEU 67 Ca 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1snl h LEU 67 Cb 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1snl h LEU 67 CO -0.32 0.30 0.21 -0.09 0.09 0.00 0.00 178.44 178.63 1snl h ARG 68 N 0.00 0.93 0.01 1.13 1.12 -0.37 -1.69 114.38 115.51 1snl h ARG 68 Ca -0.00 -0.17 -0.12 0.00 -1.11 0.00 0.00 59.98 58.58 1snl h ARG 68 Cb 0.59 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.39 1snl h ARG 68 CO 0.04 0.78 -0.63 0.52 -3.11 0.00 0.00 179.97 177.57 1snl h MET 69 N 0.90 0.01 -0.82 0.20 0.00 -1.09 -2.75 114.93 111.38 1snl h MET 69 Ca 0.21 -0.02 0.21 0.00 0.00 0.00 0.00 59.70 60.10 1snl h MET 69 Cb 0.23 0.01 -0.05 0.00 0.00 0.00 0.00 31.60 31.80 1snl h MET 69 CO -0.01 1.01 0.57 -0.09 0.00 0.00 0.00 176.91 178.38 1snl h ARG 70 N -0.97 0.18 0.00 1.72 2.43 -1.25 -1.20 114.38 115.29 1snl h ARG 70 Ca -0.17 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 1snl h ARG 70 Cb 1.17 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1snl h ARG 70 CO -0.09 0.12 -0.45 0.93 -1.51 0.00 0.00 179.97 178.96 1snl h GLU 71 N 0.19 0.00 -0.87 0.20 5.08 -1.41 -2.84 114.58 114.92 1snl h GLU 71 Ca 0.41 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.86 1snl h GLU 71 Cb 1.31 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 1snl h GLU 71 CO -0.08 0.77 0.52 1.25 -1.00 0.00 0.00 179.01 180.46 1snl h HIS 72 N -1.00 0.94 0.02 4.33 2.76 -1.19 0.51 115.15 121.52 1snl h HIS 72 Ca -0.11 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1snl h HIS 72 Cb 0.91 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.58 1snl h HIS 72 CO 0.13 0.39 -0.01 0.28 -1.30 0.00 0.00 177.93 177.43 1snl h VAL 73 N 0.86 1.35 0.00 5.26 2.07 -1.38 0.51 116.25 124.92 1snl h VAL 73 Ca 0.42 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1snl h VAL 73 Cb 0.36 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1snl h VAL 73 CO -0.24 0.31 0.00 0.24 0.02 0.00 0.00 177.57 177.89 1snl h MET 74 N -0.56 0.00 0.01 1.57 2.07 -1.19 0.10 114.93 116.94 1snl h MET 74 Ca -0.00 0.00 -0.39 0.00 -2.07 0.00 0.00 59.70 57.24 1snl h MET 74 Cb 0.53 0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 30.19 1snl h MET 74 CO 0.01 0.00 -2.43 1.17 1.07 0.00 0.00 176.91 176.72 1snl n LYS 75 N -3.06 0.66 0.01 1.72 0.00 0.17 -3.70 118.16 113.96 1snl n LYS 75 Ca -0.02 0.14 0.11 0.00 0.00 0.00 0.00 58.31 58.54 1snl n LYS 75 Cb 0.15 -1.53 0.09 0.00 0.00 0.00 0.00 35.03 33.74 1snl n LYS 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1snl n ASN 76 N -3.21 0.65 -0.03 3.14 5.03 0.18 -4.47 115.26 116.55 1snl n ASN 76 Ca -0.43 -0.38 -0.03 0.00 0.87 0.00 0.00 54.58 54.60 1snl n ASN 76 Cb 1.02 0.59 -0.04 0.00 -1.02 0.00 0.00 39.78 40.33 1snl n ASN 76 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1snl n VAL 77 N -1.68 0.38 -1.45 2.41 0.31 0.35 -4.95 118.33 113.70 1snl n VAL 77 Ca 0.04 -0.21 -0.50 0.00 -0.01 0.00 0.00 64.34 63.66 1snl n VAL 77 Cb 0.37 -0.82 -0.07 0.00 -0.91 0.00 0.00 33.84 32.41 1snl n VAL 77 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1snl n ASP 78 N -2.36 2.15 -0.05 4.52 5.75 -1.17 -4.82 116.55 120.56 1snl n ASP 78 Ca -0.10 0.38 -0.03 0.00 -0.01 0.00 0.00 54.79 55.03 1snl n ASP 78 Cb 0.66 -1.27 -0.01 0.00 -1.03 0.00 0.00 41.12 39.47 1snl n ASP 78 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1snl h THR 79 N 7.12 0.00 -0.52 2.12 1.35 -1.91 -3.40 112.91 117.67 1snl h THR 79 Ca -0.27 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1snl h THR 79 Cb 1.32 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1snl h THR 79 CO 1.02 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.83 1snl n ASN 80 N -4.18 5.00 -3.56 5.36 2.04 -1.26 -4.99 115.26 113.66 1snl n ASN 80 Ca -0.04 -2.79 -0.29 0.00 -0.44 0.00 0.00 54.58 51.01 1snl n ASN 80 Cb 0.16 -0.61 0.02 0.00 -2.53 0.00 0.00 39.78 36.82 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1snl n GLN 81 N 0.51 -1.77 -0.20 -3.83 1.13 -1.26 -4.89 117.38 107.07 1snl n GLN 81 Ca 0.25 1.20 0.03 0.00 -1.94 0.00 0.00 57.00 56.54 1snl n GLN 81 Cb 1.03 -2.56 0.04 0.00 0.11 0.00 0.00 30.24 28.85 1snl n GLN 81 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1snl n ASP 82 N -1.27 0.97 0.00 1.08 2.03 -1.26 -4.94 116.55 113.16 1snl n ASP 82 Ca -0.17 -2.10 0.00 0.00 0.52 0.00 0.00 54.79 53.04 1snl n ASP 82 Cb 0.67 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1snl n ARG 83 N -0.48 0.00 -4.93 -0.67 1.74 -1.26 -4.87 116.66 106.19 1snl n ARG 83 Ca 0.04 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.85 1snl n ARG 83 Cb 0.57 -4.23 -0.16 0.00 -1.02 0.00 0.00 32.46 27.62 1snl n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1snl s LEU 84 N 0.00 1.94 -0.18 0.55 1.02 -1.26 -3.74 118.68 117.01 1snl s LEU 84 Ca 0.00 -0.39 -0.03 0.00 0.02 0.00 0.00 54.13 53.73 1snl s LEU 84 Cb 0.00 -1.07 -0.02 0.00 0.02 0.00 0.00 46.19 45.12 1snl s LEU 84 CO 0.00 0.16 -0.06 -0.69 0.02 0.00 0.00 176.35 175.78 1snl s VAL 85 N 0.06 3.45 0.36 -1.59 1.01 -1.11 -4.90 120.40 117.69 1snl s VAL 85 Ca -0.06 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1snl s VAL 85 Cb -0.13 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1snl s VAL 85 CO 0.03 0.47 0.53 0.42 0.00 0.00 0.00 175.10 176.55 1snl s THR 86 N 0.82 4.39 0.25 3.92 -4.23 -1.26 -2.50 115.64 117.03 1snl s THR 86 Ca -0.02 -0.75 -0.02 0.00 -1.18 0.00 0.00 61.69 59.72 1snl s THR 86 Cb -0.15 -3.57 0.08 0.00 1.34 0.00 0.00 72.50 70.20 1snl s THR 86 CO 0.01 -0.30 1.72 0.25 -0.54 0.00 0.00 174.62 175.76 1snl h LEU 87 N 0.75 0.71 0.13 4.79 5.85 -1.99 -1.67 115.31 123.88 1snl h LEU 87 Ca -0.47 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 1snl h LEU 87 Cb 1.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1snl h LEU 87 CO 0.57 0.85 -0.06 -0.33 -0.34 0.00 0.00 178.44 179.13 1snl h GLU 88 N 0.66 -0.17 -0.05 1.25 5.08 -1.94 -1.23 114.58 118.18 1snl h GLU 88 Ca 0.11 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1snl h GLU 88 Cb 0.57 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1snl h GLU 88 CO 0.04 -0.11 0.03 0.93 -1.00 0.00 0.00 179.01 178.90 1snl h GLU 89 N -0.18 0.03 0.07 2.33 4.39 -1.98 -2.64 114.58 116.61 1snl h GLU 89 Ca -0.02 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1snl h GLU 89 Cb 0.14 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1snl h GLU 89 CO 0.03 0.02 -0.03 0.35 -1.16 0.00 0.00 179.01 178.22 1snl h PHE 90 N 0.03 -0.09 -0.84 4.33 3.57 -1.20 -2.79 116.94 119.95 1snl h PHE 90 Ca 0.02 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.70 1snl h PHE 90 Cb 0.05 0.03 -0.11 0.00 2.79 0.00 0.00 35.95 38.71 1snl h PHE 90 CO -0.00 0.16 0.36 -0.07 -2.23 0.00 0.00 178.31 176.54 1snl h LEU 91 N -0.34 0.34 0.17 0.59 3.38 -0.85 -1.81 115.31 116.80 1snl h LEU 91 Ca -0.01 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1snl h LEU 91 Cb 0.29 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1snl h LEU 91 CO 0.02 0.08 -0.48 0.00 0.09 0.00 0.00 178.44 178.14 1snl h ALA 92 N 1.62 -0.99 -0.94 1.53 0.00 -1.39 2.39 119.26 121.48 1snl h ALA 92 Ca 0.49 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.55 1snl h ALA 92 Cb 0.82 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1snl h ALA 92 CO -0.46 -1.09 0.95 0.66 0.00 0.00 0.00 179.25 179.31 1snl h SER 93 N -0.73 0.00 0.00 0.00 4.64 -1.20 -0.20 113.55 116.06 1snl h SER 93 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1snl h SER 93 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1snl h SER 93 CO -0.23 0.00 -0.64 0.35 -0.87 0.00 0.00 176.83 175.44 1snl n THR 94 N -3.56 0.99 -0.31 2.95 -2.24 0.37 -4.60 114.28 107.88 1snl n THR 94 Ca 0.20 0.26 0.03 0.00 -2.27 0.00 0.00 64.05 62.27 1snl n THR 94 Cb 1.25 -2.04 0.10 0.00 -2.10 0.00 0.00 70.33 67.54 1snl n THR 94 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1snl h GLN 95 N -0.64 -0.01 -5.21 -0.78 4.20 0.42 -3.27 115.11 109.82 1snl h GLN 95 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1snl h GLN 95 Cb 0.64 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1snl h GLN 95 CO 0.00 -0.01 0.04 0.54 -0.67 0.00 0.00 178.83 178.73 1snl n ARG 96 N -5.55 0.32 -0.14 1.46 5.12 -0.11 -4.74 116.66 113.02 1snl n ARG 96 Ca 0.12 -1.25 -0.05 0.00 -1.93 0.00 0.00 57.85 54.74 1snl n ARG 96 Cb 0.43 -3.76 0.02 0.00 -1.16 0.00 0.00 32.46 27.99 1snl n ARG 96 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1snl h LYS 97 N 12.15 -0.12 -5.29 5.56 3.64 -1.87 -3.30 116.57 127.34 1snl h LYS 97 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1snl h LYS 97 Cb 1.00 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1snl h LYS 97 CO 1.01 -0.08 0.06 -1.21 -2.27 0.00 0.00 179.45 176.95 1snl s GLU 98 N -6.12 1.49 0.00 1.90 8.01 -1.26 -5.11 118.70 117.60 1snl s GLU 98 Ca -0.14 0.17 0.00 0.00 0.01 0.00 0.00 54.97 55.01 1snl s GLU 98 Cb 0.15 -4.86 0.00 0.00 -4.31 0.00 0.00 34.13 25.12 1snl s GLU 98 CO 0.70 -4.76 0.00 0.34 0.01 0.00 0.00 175.26 171.56