#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 1.60 -0.13 1.96 3.01 -1.26 -4.70 119.74 120.22 1snl s LYS 2 Ca 0.00 -0.02 -0.07 0.00 -1.01 0.00 0.00 55.97 54.86 1snl s LYS 2 Cb 0.00 -1.92 0.03 0.00 -1.01 0.00 0.00 37.83 34.93 1snl s LYS 2 CO 0.00 -1.83 0.15 -1.91 0.51 0.00 0.00 175.35 172.27 1snl n GLU 3 N -3.45 -3.34 -2.44 1.68 2.13 -1.26 -4.87 120.64 109.10 1snl n GLU 3 Ca 0.10 2.63 -0.39 0.00 0.66 0.00 0.00 57.16 60.15 1snl n GLU 3 Cb 0.61 -3.62 -0.04 0.00 0.27 0.00 0.00 31.44 28.65 1snl n GLU 3 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1snl s VAL 4 N -0.55 3.42 0.23 6.31 0.11 -1.26 -4.93 120.40 123.73 1snl s VAL 4 Ca -0.17 1.35 -0.06 0.00 -2.93 0.00 0.00 61.98 60.17 1snl s VAL 4 Cb 0.01 -3.82 0.14 0.00 -1.53 0.00 0.00 36.38 31.18 1snl s VAL 4 CO 0.52 0.26 1.77 -0.50 -3.33 0.00 0.00 175.10 173.81 1snl h TRP 5 N 3.43 1.10 0.00 1.54 6.55 -1.97 -3.44 115.95 123.16 1snl h TRP 5 Ca -0.47 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 59.26 1snl h TRP 5 Cb 1.22 -0.32 0.00 0.00 -0.86 0.00 0.00 29.16 29.20 1snl h TRP 5 CO 0.58 0.88 0.00 -1.91 -1.05 0.00 0.00 178.44 176.94 1snl n GLU 6 N -4.25 0.00 0.00 0.49 2.13 -1.26 -5.09 120.64 112.66 1snl n GLU 6 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1snl n GLU 6 Cb 0.23 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.94 1snl n GLU 6 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1snl n GLU 7 N -1.64 0.00 -4.01 5.31 2.13 -1.26 -5.08 120.64 116.08 1snl n GLU 7 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 1snl n GLU 7 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 1snl n GLU 7 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1snl s LEU 8 N -1.99 3.45 0.00 4.31 1.02 -1.26 -4.97 118.68 119.24 1snl s LEU 8 Ca 0.00 -1.23 0.00 0.00 0.02 0.00 0.00 54.13 52.92 1snl s LEU 8 Cb 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.60 1snl s LEU 8 CO 0.00 -0.19 0.97 -0.67 0.02 0.00 0.00 176.35 176.48 1snl n ASP 9 N 4.54 2.82 -2.68 2.29 2.03 -1.26 -4.71 116.55 119.57 1snl n ASP 9 Ca -0.15 -1.73 -0.10 0.00 0.52 0.00 0.00 54.79 53.34 1snl n ASP 9 Cb 0.44 -0.51 0.05 0.00 -0.72 0.00 0.00 41.12 40.38 1snl n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1snl n GLY 10 N 0.79 -0.51 0.36 0.27 0.00 -1.26 -4.95 105.19 99.89 1snl n GLY 10 Ca 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 1snl n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1snl h LEU 11 N -0.69 -0.74 -5.41 0.99 3.38 -1.99 -3.40 115.31 107.44 1snl h LEU 11 Ca -0.39 -0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.22 1snl h LEU 11 Cb 1.20 0.19 -0.24 0.00 0.09 0.00 0.00 40.66 41.90 1snl h LEU 11 CO 0.29 -0.47 -0.75 -0.90 0.09 0.00 0.00 178.44 176.70 1snl n ASP 12 N -5.43 -1.56 0.00 -0.43 5.68 -1.26 -4.95 116.55 108.59 1snl n ASP 12 Ca -0.13 -3.09 0.02 0.00 -0.50 0.00 0.00 54.79 51.08 1snl n ASP 12 Cb 0.36 0.82 0.09 0.00 -1.14 0.00 0.00 41.12 41.25 1snl n ASP 12 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1snl n PRO 13 N 1.41 0.10 -0.50 0.11 -0.02 -1.26 -4.30 135.00 130.54 1snl n PRO 13 Ca 0.14 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.39 1snl n PRO 13 Cb 0.60 -1.48 -0.04 0.00 -0.02 0.00 0.00 33.50 32.56 1snl n PRO 13 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1snl n ASN 14 N -0.98 1.90 -3.38 2.55 4.13 -1.26 -4.58 115.26 113.64 1snl n ASN 14 Ca 0.02 -2.31 0.02 0.00 1.68 0.00 0.00 54.58 53.99 1snl n ASN 14 Cb 0.01 -0.76 -0.04 0.00 -1.54 0.00 0.00 39.78 37.45 1snl n ASN 14 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1snl s ARG 15 N 5.05 0.22 0.00 3.52 3.52 -1.26 -5.18 118.95 124.82 1snl s ARG 15 Ca 0.35 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.49 1snl s ARG 15 Cb 0.08 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.76 1snl s ARG 15 CO 0.09 -0.07 0.00 1.19 -0.81 0.00 0.00 175.30 175.70 1snl n PHE 16 N 4.66 -0.40 -3.83 5.12 3.72 -1.26 -5.11 117.46 120.36 1snl n PHE 16 Ca -0.10 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.97 1snl n PHE 16 Cb 0.54 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.96 1snl n PHE 16 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1snl s ASN 17 N 0.62 4.86 0.32 4.37 0.02 -1.26 -4.93 114.94 118.94 1snl s ASN 17 Ca 0.00 -2.81 0.19 0.00 -1.02 0.00 0.00 52.86 49.22 1snl s ASN 17 Cb 0.00 -1.76 1.02 0.00 0.02 0.00 0.00 41.25 40.54 1snl s ASN 17 CO 0.00 -0.33 1.55 -2.65 0.02 0.00 0.00 177.10 175.69 1snl n PRO 18 N 3.47 0.12 -0.09 -0.60 -0.02 -1.26 -1.93 135.00 134.69 1snl n PRO 18 Ca 0.06 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 1snl n PRO 18 Cb 0.36 -1.99 0.51 0.00 -0.02 0.00 0.00 33.50 32.36 1snl n PRO 18 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1snl h LYS 19 N 0.00 0.38 -0.08 -0.52 3.64 -2.01 -2.07 116.57 115.91 1snl h LYS 19 Ca 0.00 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 1snl h LYS 19 Cb 0.17 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1snl h LYS 19 CO 0.00 0.25 -0.73 1.15 -2.27 0.00 0.00 179.45 177.86 1snl h THR 20 N 0.39 1.33 -0.68 1.00 2.02 -1.83 -2.95 112.91 112.19 1snl h THR 20 Ca 0.29 -2.01 0.11 0.00 0.77 0.00 0.00 66.41 65.58 1snl h THR 20 Cb 0.62 2.24 -0.04 0.00 -1.74 0.00 0.00 68.15 69.23 1snl h THR 20 CO -0.08 0.61 0.45 0.15 0.37 0.00 0.00 175.52 177.03 1snl h PHE 21 N 0.27 0.53 -0.24 3.16 3.04 -1.56 0.95 116.94 123.09 1snl h PHE 21 Ca -0.07 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.76 1snl h PHE 21 Cb 1.38 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.71 1snl h PHE 21 CO 0.11 0.24 -0.41 0.35 -2.02 0.00 0.00 178.31 176.57 1snl h PHE 22 N 0.48 0.69 0.45 0.41 3.04 -1.40 -2.64 116.94 117.97 1snl h PHE 22 Ca 0.32 -0.20 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 1snl h PHE 22 Cb 0.59 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.96 1snl h PHE 22 CO -0.00 0.90 -0.22 0.82 -2.02 0.00 0.00 178.31 177.79 1snl h ILE 23 N 0.47 0.00 -1.16 1.41 2.04 -0.71 -2.52 117.51 117.05 1snl h ILE 23 Ca 0.04 -0.51 0.35 0.00 1.00 0.00 0.00 64.86 65.74 1snl h ILE 23 Cb 0.92 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.88 1snl h ILE 23 CO 0.08 0.00 0.73 0.25 0.00 0.00 0.00 178.15 179.22 1snl h LEU 24 N -1.12 0.36 -0.23 1.44 5.85 -1.24 1.82 115.31 122.20 1snl h LEU 24 Ca -0.06 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1snl h LEU 24 Cb 0.47 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1snl h LEU 24 CO 0.10 -0.06 0.00 0.45 -0.34 0.00 0.00 178.44 178.59 1snl h HIS 25 N 0.25 0.00 -1.00 1.25 3.86 -1.43 -3.39 115.15 114.67 1snl h HIS 25 Ca 0.71 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 59.34 1snl h HIS 25 Cb 2.00 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 30.38 1snl h HIS 25 CO -0.00 0.00 1.57 -0.51 0.86 0.00 0.00 177.93 179.85 1snl s ASP 26 N -4.74 6.41 -0.04 2.45 1.01 0.62 -4.80 116.67 117.58 1snl s ASP 26 Ca 0.08 -1.60 -0.24 0.00 0.71 0.00 0.00 52.55 51.50 1snl s ASP 26 Cb 0.11 -2.57 -0.18 0.00 1.01 0.00 0.00 42.92 41.28 1snl s ASP 26 CO 0.56 -1.59 1.06 0.40 0.21 0.00 0.00 175.17 175.81 1snl h ILE 27 N 6.56 1.10 -0.23 0.77 2.04 -1.79 -3.15 117.51 122.81 1snl h ILE 27 Ca 0.24 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1snl h ILE 27 Cb 0.98 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1snl h ILE 27 CO 1.41 0.26 0.00 0.59 0.00 0.00 0.00 178.15 180.41 1snl n ASN 28 N -4.90 1.48 -3.99 1.72 5.03 -1.26 -4.91 115.26 108.42 1snl n ASN 28 Ca -0.08 -2.05 -0.36 0.00 0.87 0.00 0.00 54.58 52.96 1snl n ASN 28 Cb 0.27 -0.22 -0.00 0.00 -1.02 0.00 0.00 39.78 38.81 1snl n ASN 28 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1snl n SER 29 N 0.20 -2.83 -0.35 6.41 3.41 -1.19 -4.83 113.62 114.44 1snl n SER 29 Ca 0.08 -1.17 0.11 0.00 -0.26 0.00 0.00 58.87 57.64 1snl n SER 29 Cb 0.26 -2.38 0.04 0.00 -0.26 0.00 0.00 64.21 61.87 1snl n SER 29 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1snl n ASP 30 N -2.58 1.64 0.00 4.04 5.75 -1.26 -4.93 116.55 119.21 1snl n ASP 30 Ca -0.18 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 1snl n ASP 30 Cb 0.62 0.51 0.00 0.00 -1.03 0.00 0.00 41.12 41.22 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1snl n GLY 31 N 1.43 1.34 3.21 6.12 0.00 -1.26 -4.98 105.19 111.04 1snl n GLY 31 Ca 0.09 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 -3.83 0.12 -0.17 1.61 -7.23 -1.26 -3.95 120.40 105.69 1snl s VAL 32 Ca 0.00 -1.60 -0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1snl s VAL 32 Cb 0.00 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 1snl s VAL 32 CO 0.00 -0.53 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.41 1snl s LEU 33 N -2.97 2.79 0.48 1.32 1.43 -0.97 -4.98 118.68 115.79 1snl s LEU 33 Ca 0.16 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.98 1snl s LEU 33 Cb 0.06 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.64 1snl s LEU 33 CO -0.03 0.09 0.55 1.51 0.23 0.00 0.00 176.35 178.70 1snl s ASP 34 N 0.83 5.15 0.00 2.29 -4.77 -1.26 -2.73 116.67 116.18 1snl s ASP 34 Ca -0.03 -0.78 0.00 0.00 -3.30 0.00 0.00 52.55 48.44 1snl s ASP 34 Cb -0.15 -0.18 0.00 0.00 -1.09 0.00 0.00 42.92 41.50 1snl s ASP 34 CO 0.01 -0.95 0.84 -0.62 0.70 0.00 0.00 175.17 175.15 1snl n GLU 35 N -1.86 0.00 0.04 2.11 1.02 -1.26 -0.87 120.64 119.83 1snl n GLU 35 Ca 0.07 0.35 -0.22 0.00 -0.02 0.00 0.00 57.16 57.35 1snl n GLU 35 Cb 0.61 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.30 1snl n GLU 35 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1snl h GLN 36 N 0.00 0.31 0.00 3.49 1.08 -1.95 -0.15 115.11 117.89 1snl h GLN 36 Ca 0.00 -0.53 -0.10 0.00 -1.45 0.00 0.00 58.65 56.57 1snl h GLN 36 Cb 0.19 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 1snl h GLN 36 CO 0.00 1.25 -0.49 0.93 -0.95 0.00 0.00 178.83 179.58 1snl h GLU 37 N -0.24 0.00 0.21 1.46 3.07 -1.37 -1.43 114.58 116.28 1snl h GLU 37 Ca -0.25 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.27 1snl h GLU 37 Cb 1.80 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.73 1snl h GLU 37 CO 0.12 0.49 -1.62 -0.07 -1.40 0.00 0.00 179.01 176.53 1snl h LEU 38 N 0.00 0.69 -0.03 1.33 4.07 -1.52 -2.14 115.31 117.71 1snl h LEU 38 Ca -0.00 -0.88 -0.00 0.00 0.08 0.00 0.00 57.88 57.07 1snl h LEU 38 Cb 0.90 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 1snl h LEU 38 CO 0.06 1.72 0.01 -0.33 -1.08 0.00 0.00 178.44 178.82 1snl h GLU 39 N 0.12 0.05 0.00 1.13 5.08 -0.94 -1.61 114.58 118.41 1snl h GLU 39 Ca -0.30 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 1snl h GLU 39 Cb 2.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.35 1snl h GLU 39 CO 0.22 0.24 -0.33 0.00 -1.00 0.00 0.00 179.01 178.13 1snl h ALA 40 N 0.81 1.29 0.00 3.43 0.00 -1.39 -2.92 119.26 120.48 1snl h ALA 40 Ca 0.01 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 1snl h ALA 40 Cb 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1snl h ALA 40 CO -0.00 0.42 -0.69 1.25 0.00 0.00 0.00 179.25 180.23 1snl h LEU 41 N 0.00 0.00 -0.01 0.00 5.85 -1.07 -2.68 115.31 117.41 1snl h LEU 41 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1snl h LEU 41 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1snl h LEU 41 CO 0.04 0.69 -0.09 -0.26 -0.34 0.00 0.00 178.44 178.49 1snl h PHE 42 N 0.00 0.10 -0.65 1.25 0.04 -1.11 -2.21 116.94 114.36 1snl h PHE 42 Ca -0.01 -0.05 0.05 0.00 2.80 0.00 0.00 57.97 60.77 1snl h PHE 42 Cb 1.35 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.44 1snl h PHE 42 CO 0.00 0.78 0.43 1.15 -0.60 0.00 0.00 178.31 180.07 1snl h THR 43 N -0.61 1.03 -0.03 -1.55 2.02 -1.60 -2.86 112.91 109.31 1snl h THR 43 Ca -0.01 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 1snl h THR 43 Cb 0.80 0.28 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1snl h THR 43 CO 0.02 0.13 -0.43 0.50 0.37 0.00 0.00 175.52 176.10 1snl h LYS 44 N 0.69 0.34 -0.52 6.66 3.64 -1.47 -2.73 116.57 123.18 1snl h LYS 44 Ca 0.28 -0.33 0.15 0.00 -1.27 0.00 0.00 60.65 59.48 1snl h LYS 44 Cb 0.21 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1snl h LYS 44 CO -0.08 1.00 0.45 0.93 -2.27 0.00 0.00 179.45 179.48 1snl h GLU 45 N -0.20 0.00 0.00 1.90 5.08 -1.17 0.46 114.58 120.65 1snl h GLU 45 Ca -0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1snl h GLU 45 Cb 1.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1snl h GLU 45 CO 0.09 0.00 -0.96 -0.07 -1.00 0.00 0.00 179.01 177.07 1snl h LEU 46 N 0.00 0.00 -1.25 1.33 3.38 -1.48 -3.30 115.31 113.99 1snl h LEU 46 Ca 0.25 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.36 1snl h LEU 46 Cb 1.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 1snl h LEU 46 CO -0.00 0.70 0.58 -0.33 0.09 0.00 0.00 178.44 179.48 1snl h GLU 47 N 0.00 0.70 -0.93 1.13 4.39 0.25 0.27 114.58 120.39 1snl h GLU 47 Ca -0.07 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 1snl h GLU 47 Cb 1.59 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 30.07 1snl h GLU 47 CO 0.08 0.47 0.03 0.36 -1.16 0.00 0.00 179.01 178.79 1snl n LYS 48 N -4.57 1.76 0.09 2.33 2.85 -1.20 -4.17 118.16 115.25 1snl n LYS 48 Ca 0.18 -0.72 0.00 0.00 -1.05 0.00 0.00 58.31 56.72 1snl n LYS 48 Cb 0.46 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1snl n VAL 49 N 0.14 0.32 -2.10 0.58 0.31 0.83 -5.12 118.33 113.29 1snl n VAL 49 Ca 0.08 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1snl n VAL 49 Cb 0.54 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 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 -3.32 0.00 -3.16 3.52 4.01 -0.56 -5.09 117.16 112.56 1snl n TYR 50 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 1snl n TYR 50 Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.01 1snl n TYR 50 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1snl n ASP 51 N 0.00 -0.20 -3.96 7.72 5.75 -1.26 -4.79 116.55 119.80 1snl n ASP 51 Ca 0.00 -2.72 -0.29 0.00 -0.01 0.00 0.00 54.79 51.76 1snl n ASP 51 Cb 0.00 -0.38 0.27 0.00 -1.03 0.00 0.00 41.12 39.98 1snl n ASP 51 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 1snl s PRO 52 N -0.89 -1.95 -0.50 0.11 0.02 -1.26 -4.95 135.00 125.59 1snl s PRO 52 Ca 0.35 0.43 0.03 0.00 0.02 0.00 0.00 61.00 61.83 1snl s PRO 52 Cb 0.16 -1.47 0.44 0.00 0.02 0.00 0.00 34.50 33.65 1snl s PRO 52 CO -0.13 -4.30 1.55 1.63 -0.33 0.00 0.00 177.00 175.42 1snl n LYS 53 N -5.27 3.19 -1.43 5.54 4.76 -1.26 -4.86 118.16 118.83 1snl n LYS 53 Ca 0.08 -3.86 -0.15 0.00 -2.87 0.00 0.00 58.31 51.50 1snl n LYS 53 Cb 0.57 -2.28 -0.07 0.00 -1.84 0.00 0.00 35.03 31.42 1snl n LYS 53 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1snl n ASN 54 N -0.72 -4.42 -3.73 4.39 5.03 -1.26 -4.90 115.26 109.65 1snl n ASN 54 Ca 0.50 0.38 -0.12 0.00 0.87 0.00 0.00 54.58 56.22 1snl n ASN 54 Cb 0.73 -3.89 -0.13 0.00 -1.02 0.00 0.00 39.78 35.48 1snl n ASN 54 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1snl s GLU 55 N -3.28 0.25 0.54 3.52 2.02 -1.26 -5.01 118.70 115.48 1snl s GLU 55 Ca 0.00 0.57 0.34 0.00 0.02 0.00 0.00 54.97 55.90 1snl s GLU 55 Cb 0.00 -0.08 1.51 0.00 0.10 0.00 0.00 34.13 35.66 1snl s GLU 55 CO 0.00 -0.15 2.02 0.93 0.02 0.00 0.00 175.26 178.08 1snl h GLU 56 N 7.07 0.00 -2.24 1.61 5.08 -2.02 -3.27 114.58 120.82 1snl h GLU 56 Ca -0.39 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 1snl h GLU 56 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1snl h GLU 56 CO 0.36 0.00 0.06 -0.40 -1.00 0.00 0.00 179.01 178.03 1snl n ASP 57 N -2.98 1.95 0.00 1.42 5.68 -1.26 -1.81 116.55 119.55 1snl n ASP 57 Ca 0.00 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 1snl n ASP 57 Cb 0.25 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1snl n ASP 57 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1snl n ASP 58 N 2.19 0.00 -0.05 -1.12 -0.08 -1.23 -4.93 116.55 111.33 1snl n ASP 58 Ca 0.06 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.47 1snl n ASP 58 Cb 0.24 0.00 0.50 0.00 2.34 0.00 0.00 41.12 44.20 1snl n ASP 58 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1snl n MET 59 N 0.00 0.29 -1.59 -0.67 2.81 -0.75 -4.79 117.12 112.42 1snl n MET 59 Ca 0.00 -0.10 -0.39 0.00 -1.81 0.00 0.00 57.70 55.39 1snl n MET 59 Cb 0.00 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 30.98 1snl n MET 59 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1snl s ARG 60 N -2.78 2.56 0.00 0.03 0.52 -1.26 -4.01 118.95 114.01 1snl s ARG 60 Ca 0.19 1.67 0.00 0.00 -0.52 0.00 0.00 55.73 57.07 1snl s ARG 60 Cb 0.19 -4.49 0.00 0.00 0.52 0.00 0.00 34.95 31.17 1snl s ARG 60 CO 0.56 -2.76 0.00 -1.91 0.02 0.00 0.00 175.30 171.21 1snl n GLU 61 N 8.90 0.00 -0.53 3.54 4.07 -1.26 -4.89 120.64 130.47 1snl n GLU 61 Ca 0.33 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.49 1snl n GLU 61 Cb 0.50 0.00 0.26 0.00 -0.06 0.00 0.00 31.44 32.15 1snl n GLU 61 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1snl n MET 62 N -1.59 3.32 0.29 5.31 0.00 -1.26 -4.47 117.12 118.72 1snl n MET 62 Ca 0.00 -2.06 0.03 0.00 0.00 0.00 0.00 57.70 55.67 1snl n MET 62 Cb 0.00 -1.88 0.09 0.00 0.00 0.00 0.00 33.22 31.43 1snl n MET 62 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 1snl h GLU 63 N 2.75 0.00 -0.94 3.17 4.11 -1.91 0.49 114.58 122.25 1snl h GLU 63 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.55 1snl h GLU 63 Cb 1.32 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.50 1snl h GLU 63 CO 0.26 0.00 0.60 0.93 0.07 0.00 0.00 179.01 180.87 1snl h GLU 64 N 0.00 0.86 -0.11 1.06 5.08 -1.97 -0.06 114.58 119.43 1snl h GLU 64 Ca 0.03 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 1snl h GLU 64 Cb 1.96 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1snl h GLU 64 CO -0.00 0.57 -0.65 1.49 -1.00 0.00 0.00 179.01 179.42 1snl h GLU 65 N 0.88 0.42 -0.53 2.33 4.57 -0.40 -2.89 114.58 118.95 1snl h GLU 65 Ca 0.46 -0.30 0.11 0.00 -1.18 0.00 0.00 59.36 58.44 1snl h GLU 65 Cb 0.53 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 29.08 1snl h GLU 65 CO -0.22 0.92 -0.02 -0.09 -1.18 0.00 0.00 179.01 178.43 1snl h ARG 66 N 0.30 0.10 0.00 1.92 2.43 -1.11 0.60 114.38 118.61 1snl h ARG 66 Ca -0.01 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 1snl h ARG 66 Cb 1.20 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1snl h ARG 66 CO 0.11 0.07 -0.50 1.37 -1.51 0.00 0.00 179.97 179.51 1snl h LEU 67 N 0.10 0.00 -1.02 3.80 8.10 -1.51 -1.83 115.31 122.96 1snl h LEU 67 Ca 0.27 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.27 1snl h LEU 67 Cb 0.42 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.59 1snl h LEU 67 CO -0.46 0.50 0.66 -0.09 -4.11 0.00 0.00 178.44 174.94 1snl h ARG 68 N 0.00 1.31 0.00 0.17 1.12 -0.68 0.15 114.38 116.45 1snl h ARG 68 Ca -0.00 -0.08 -0.14 0.00 -1.11 0.00 0.00 59.98 58.64 1snl h ARG 68 Cb 1.06 -0.30 -0.02 0.00 -0.01 0.00 0.00 29.97 30.71 1snl h ARG 68 CO 0.06 0.87 -0.78 0.52 -3.11 0.00 0.00 179.97 177.54 1snl h MET 69 N 1.35 0.00 -0.51 0.20 0.00 -1.37 -2.77 114.93 111.83 1snl h MET 69 Ca 0.37 0.00 0.07 0.00 0.00 0.00 0.00 59.70 60.14 1snl h MET 69 Cb -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 31.60 31.39 1snl h MET 69 CO -0.08 0.99 0.16 -0.09 0.00 0.00 0.00 176.91 177.89 1snl h ARG 70 N -1.00 0.31 0.09 1.72 2.43 -1.31 -0.53 114.38 116.10 1snl h ARG 70 Ca -0.21 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1snl h ARG 70 Cb 1.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1snl h ARG 70 CO -0.13 0.21 -0.04 1.49 -1.51 0.00 0.00 179.97 179.99 1snl h GLU 71 N 0.32 -0.11 -0.92 0.20 4.81 -0.87 -1.56 114.58 116.45 1snl h GLU 71 Ca 0.25 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.60 1snl h GLU 71 Cb 0.29 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.61 1snl h GLU 71 CO -0.27 0.43 0.55 1.25 -0.73 0.00 0.00 179.01 180.24 1snl h HIS 72 N -0.83 1.00 0.12 0.92 2.76 -1.43 0.90 115.15 118.58 1snl h HIS 72 Ca -0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1snl h HIS 72 Cb 0.59 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1snl h HIS 72 CO 0.12 0.38 -0.06 0.28 -1.30 0.00 0.00 177.93 177.35 1snl h VAL 73 N 0.87 1.00 0.00 5.26 2.07 -1.17 0.17 116.25 124.46 1snl h VAL 73 Ca 0.46 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1snl h VAL 73 Cb 0.48 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1snl h VAL 73 CO -0.28 0.26 0.00 0.24 0.02 0.00 0.00 177.57 177.82 1snl h MET 74 N -0.82 0.00 0.04 1.57 2.07 -0.96 0.37 114.93 117.21 1snl h MET 74 Ca -0.02 0.00 -0.37 0.00 -2.07 0.00 0.00 59.70 57.25 1snl h MET 74 Cb 0.55 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.23 1snl h MET 74 CO 0.03 0.00 -2.22 1.17 1.07 0.00 0.00 176.91 176.96 1snl n LYS 75 N -2.68 0.69 0.00 1.72 4.81 0.31 -3.56 118.16 119.45 1snl n LYS 75 Ca -0.01 0.18 0.10 0.00 -0.87 0.00 0.00 58.31 57.72 1snl n LYS 75 Cb 0.15 -1.61 -0.05 0.00 0.02 0.00 0.00 35.03 33.53 1snl n LYS 75 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1snl n ASN 76 N -3.23 0.86 -0.03 3.14 5.03 0.60 -4.54 115.26 117.10 1snl n ASN 76 Ca -0.36 -0.81 -0.03 0.00 0.87 0.00 0.00 54.58 54.25 1snl n ASN 76 Cb 1.04 0.89 -0.04 0.00 -1.02 0.00 0.00 39.78 40.66 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 -1.54 0.36 -1.47 2.41 0.31 0.13 -4.96 118.33 113.57 1snl n VAL 77 Ca 0.04 -0.20 -0.53 0.00 -0.01 0.00 0.00 64.34 63.64 1snl n VAL 77 Cb 0.34 -0.83 -0.08 0.00 -0.91 0.00 0.00 33.84 32.37 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 -2.34 2.05 -0.01 4.52 5.75 -1.19 -4.83 116.55 120.50 1snl n ASP 78 Ca -0.09 0.57 -0.01 0.00 -0.01 0.00 0.00 54.79 55.25 1snl n ASP 78 Cb 0.65 -1.20 -0.00 0.00 -1.03 0.00 0.00 41.12 39.54 1snl n ASP 78 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1snl n THR 79 N 6.62 0.17 -0.80 2.12 5.66 -1.26 -4.43 114.28 122.36 1snl n THR 79 Ca 0.40 0.47 -0.09 0.00 -3.05 0.00 0.00 64.05 61.77 1snl n THR 79 Cb 0.18 -1.61 0.24 0.00 -1.55 0.00 0.00 70.33 67.59 1snl n THR 79 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1snl n ASN 80 N -2.54 4.30 -1.91 1.09 5.03 -1.26 -4.88 115.26 115.09 1snl n ASN 80 Ca -0.01 -3.14 0.00 0.00 0.87 0.00 0.00 54.58 52.30 1snl n ASN 80 Cb 0.03 -0.74 0.00 0.00 -1.02 0.00 0.00 39.78 38.06 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1snl n GLN 81 N -0.28 -2.37 -0.09 3.52 3.00 -1.26 -4.62 117.38 115.29 1snl n GLN 81 Ca 0.40 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.40 1snl n GLN 81 Cb 1.33 -3.39 0.05 0.00 0.00 0.00 0.00 30.24 28.23 1snl n GLN 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1snl n ASP 82 N -0.97 1.07 0.00 1.08 -0.08 -1.26 -4.76 116.55 111.63 1snl n ASP 82 Ca 0.00 -2.06 0.00 0.00 -1.51 0.00 0.00 54.79 51.22 1snl n ASP 82 Cb 0.35 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1snl n ARG 83 N -0.06 -0.67 -4.88 -0.67 1.74 -1.26 -4.89 116.66 105.96 1snl n ARG 83 Ca 0.04 0.17 -0.27 0.00 -0.77 0.00 0.00 57.85 57.01 1snl n ARG 83 Cb 0.22 -4.50 -0.16 0.00 -1.02 0.00 0.00 32.46 27.01 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 1.91 -0.14 0.55 1.02 -1.26 -3.99 118.68 116.77 1snl s LEU 84 Ca 0.00 -0.38 -0.02 0.00 0.02 0.00 0.00 54.13 53.75 1snl s LEU 84 Cb 0.00 -1.03 -0.02 0.00 0.02 0.00 0.00 46.19 45.16 1snl s LEU 84 CO 0.00 0.15 -0.09 -0.69 0.02 0.00 0.00 176.35 175.74 1snl s VAL 85 N 0.11 3.45 0.34 -1.59 1.01 -1.10 -4.74 120.40 117.88 1snl s VAL 85 Ca -0.06 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1snl s VAL 85 Cb -0.13 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1snl s VAL 85 CO 0.03 0.51 0.37 0.42 0.00 0.00 0.00 175.10 176.43 1snl s THR 86 N 0.29 3.76 0.26 3.92 -4.23 -1.26 -2.30 115.64 116.09 1snl s THR 86 Ca -0.07 -1.21 -0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1snl s THR 86 Cb -0.15 -3.28 0.08 0.00 1.34 0.00 0.00 72.50 70.49 1snl s THR 86 CO 0.04 -0.17 1.73 0.25 -0.54 0.00 0.00 174.62 175.94 1snl h LEU 87 N 1.10 0.64 0.06 4.79 5.85 -1.99 -1.68 115.31 124.07 1snl h LEU 87 Ca -0.45 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 1snl h LEU 87 Cb 1.25 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1snl h LEU 87 CO 0.56 0.80 -0.03 -0.33 -0.34 0.00 0.00 178.44 179.10 1snl h GLU 88 N 0.59 -0.08 -0.08 1.25 5.08 -1.94 -1.78 114.58 117.62 1snl h GLU 88 Ca 0.10 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1snl h GLU 88 Cb 0.58 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1snl h GLU 88 CO 0.04 -0.05 -0.09 0.93 -1.00 0.00 0.00 179.01 178.83 1snl h GLU 89 N -0.08 0.11 0.10 2.33 4.39 -1.98 -2.88 114.58 116.57 1snl h GLU 89 Ca -0.01 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1snl h GLU 89 Cb 0.07 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1snl h GLU 89 CO 0.01 0.21 -0.05 0.35 -1.16 0.00 0.00 179.01 178.37 1snl h PHE 90 N 0.11 -0.13 -0.52 4.33 3.57 -1.22 -2.54 116.94 120.55 1snl h PHE 90 Ca 0.03 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.62 1snl h PHE 90 Cb 0.23 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.93 1snl h PHE 90 CO 0.00 -0.04 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.96 1snl h LEU 91 N -0.18 -0.25 -0.80 0.59 -0.00 -1.10 -1.03 115.31 112.55 1snl h LEU 91 Ca -0.01 0.13 0.17 0.00 -0.00 0.00 0.00 57.88 58.16 1snl h LEU 91 Cb 0.14 0.23 -0.15 0.00 -0.00 0.00 0.00 40.66 40.88 1snl h LEU 91 CO 0.02 -0.09 -0.14 0.00 -0.00 0.00 0.00 178.44 178.23 1snl h ALA 92 N 1.47 0.62 0.00 1.53 0.00 -1.37 0.82 119.26 122.32 1snl h ALA 92 Ca 0.26 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 1snl h ALA 92 Cb 0.40 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1snl h ALA 92 CO -0.45 -0.42 -0.02 0.77 0.00 0.00 0.00 179.25 179.13 1snl h SER 93 N 0.02 0.00 0.00 0.00 0.02 -1.04 -1.62 113.55 110.94 1snl h SER 93 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1snl h SER 93 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1snl h SER 93 CO -0.79 0.02 -0.29 0.35 -1.14 0.00 0.00 176.83 174.98 1snl n THR 94 N -4.50 0.00 -0.31 -2.27 -2.24 0.23 -3.99 114.28 101.19 1snl n THR 94 Ca -0.03 -0.32 0.08 0.00 -2.27 0.00 0.00 64.05 61.51 1snl n THR 94 Cb 0.11 1.22 0.19 0.00 -2.10 0.00 0.00 70.33 69.75 1snl n THR 94 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1snl h GLN 95 N 3.02 0.03 0.00 -0.78 4.15 0.10 -3.36 115.11 118.27 1snl h GLN 95 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1snl h GLN 95 Cb 0.80 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.48 1snl h GLN 95 CO 0.00 0.02 0.00 -2.13 -1.93 0.00 0.00 178.83 174.79 1snl n ARG 96 N -5.49 0.62 -1.47 1.69 3.00 -1.26 -5.00 116.66 108.75 1snl n ARG 96 Ca 0.17 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.89 1snl n ARG 96 Cb 0.58 -0.47 -0.11 0.00 0.00 0.00 0.00 32.46 32.45 1snl n ARG 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1snl n LYS 97 N -0.45 0.24 -3.63 -0.14 4.81 -1.26 -4.74 118.16 113.00 1snl n LYS 97 Ca 0.00 -0.72 -0.03 0.00 -0.87 0.00 0.00 58.31 56.69 1snl n LYS 97 Cb 0.00 -2.74 -0.06 0.00 0.02 0.00 0.00 35.03 32.25 1snl n LYS 97 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1snl s GLU 98 N 7.85 0.45 0.00 1.64 4.04 -1.26 -4.78 118.70 126.64 1snl s GLU 98 Ca 0.87 0.80 0.00 0.00 0.04 0.00 0.00 54.97 56.68 1snl s GLU 98 Cb -0.27 0.12 0.00 0.00 0.02 0.00 0.00 34.13 34.00 1snl s GLU 98 CO 0.21 -0.10 0.00 0.34 -1.84 0.00 0.00 175.26 173.87