#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aym n GLN 2 N 0.00 2.58 -1.41 0.00 10.64 -1.26 -4.96 117.38 122.96 2aym n GLN 2 Ca 0.00 0.94 -0.31 0.00 -1.83 0.00 0.00 57.00 55.80 2aym n GLN 2 Cb 0.00 -2.80 0.08 0.00 -0.86 0.00 0.00 30.24 26.66 2aym n GLN 2 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2aym s THR 3 N 2.58 3.46 0.18 -0.39 -4.23 -1.26 -5.09 115.64 110.89 2aym s THR 3 Ca 0.83 0.48 0.06 0.00 -1.18 0.00 0.00 61.69 61.88 2aym s THR 3 Cb -0.55 -3.10 -0.05 0.00 1.34 0.00 0.00 72.50 70.15 2aym s THR 3 CO 0.40 -0.62 -0.13 -1.61 -0.54 0.00 0.00 174.62 172.12 2aym s GLU 4 N -5.00 1.22 0.20 3.99 2.02 -1.26 -4.64 118.70 115.23 2aym s GLU 4 Ca 0.60 -1.53 -0.14 0.00 0.02 0.00 0.00 54.97 53.93 2aym s GLU 4 Cb -0.16 -0.94 0.01 0.00 0.10 0.00 0.00 34.13 33.15 2aym s GLU 4 CO 0.55 0.15 0.44 -0.65 0.02 0.00 0.00 175.26 175.78 2aym s GLN 5 N -3.64 1.36 0.91 1.61 -1.52 -1.26 -5.06 119.66 112.06 2aym s GLN 5 Ca 0.20 -1.05 -0.14 0.00 -1.95 0.00 0.00 55.36 52.42 2aym s GLN 5 Cb 0.00 0.47 0.00 0.00 -0.22 0.00 0.00 33.01 33.26 2aym s GLN 5 CO 0.04 -0.56 0.29 -2.30 -0.25 0.00 0.00 175.29 172.51 2aym n PRO 6 N -0.31 -0.15 -1.55 2.91 -0.02 -1.26 -4.90 135.00 129.71 2aym n PRO 6 Ca -0.07 -0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 60.98 2aym n PRO 6 Cb 0.62 -1.75 0.01 0.00 -0.02 0.00 0.00 33.50 32.36 2aym n PRO 6 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2aym n PRO 7 N -1.03 1.03 -3.83 0.52 -0.02 -1.26 -4.99 135.00 125.42 2aym n PRO 7 Ca 0.06 0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 2aym n PRO 7 Cb 0.53 -1.81 -0.10 0.00 -0.02 0.00 0.00 33.50 32.10 2aym n PRO 7 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2aym s ASN 8 N -0.81 -0.08 0.00 2.55 2.47 -1.26 -4.95 114.94 112.86 2aym s ASN 8 Ca 0.63 0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.92 2aym s ASN 8 Cb -0.60 0.28 0.00 0.00 -1.45 0.00 0.00 41.25 39.49 2aym s ASN 8 CO 0.57 -0.31 0.56 0.00 -3.72 0.00 0.00 177.10 174.20 2aym n GLN 9 N 1.79 0.70 -3.99 0.43 10.64 -1.26 -4.64 117.38 121.05 2aym n GLN 9 Ca -0.20 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.84 2aym n GLN 9 Cb 0.56 -1.14 -0.14 0.00 -0.86 0.00 0.00 30.24 28.66 2aym n GLN 9 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2aym s ILE 10 N -1.60 0.17 0.11 -0.39 1.01 -1.26 -0.65 121.20 118.59 2aym s ILE 10 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.60 2aym s ILE 10 Cb 0.00 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 2aym s ILE 10 CO 0.00 0.03 -0.19 -0.76 0.00 0.00 0.00 174.94 174.01 2aym s LEU 11 N -0.11 2.32 -0.09 2.97 1.43 0.30 -0.99 118.68 124.51 2aym s LEU 11 Ca 0.00 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 2aym s LEU 11 Cb -0.01 -0.82 -0.00 0.00 0.03 0.00 0.00 46.19 45.39 2aym s LEU 11 CO -0.00 0.02 -0.23 0.12 0.23 0.00 0.00 176.35 176.49 2aym s PHE 12 N -1.36 2.40 0.14 0.29 5.36 0.22 -1.40 117.98 123.63 2aym s PHE 12 Ca 0.07 -0.94 0.08 0.00 -0.96 0.00 0.00 56.93 55.18 2aym s PHE 12 Cb -0.09 -1.61 -0.04 0.00 -0.34 0.00 0.00 43.02 40.94 2aym s PHE 12 CO 0.04 -0.37 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.74 2aym s LEU 13 N 0.30 2.39 0.26 6.12 1.02 0.20 -0.56 118.68 128.42 2aym s LEU 13 Ca -0.16 -0.80 -0.03 0.00 0.02 0.00 0.00 54.13 53.15 2aym s LEU 13 Cb -0.17 -0.81 -0.02 0.00 0.02 0.00 0.00 46.19 45.21 2aym s LEU 13 CO 0.08 -0.02 0.32 0.42 0.02 0.00 0.00 176.35 177.17 2aym s THR 14 N -1.80 0.00 -1.19 5.49 -4.23 -0.29 -1.37 115.64 112.26 2aym s THR 14 Ca 0.12 -1.75 -0.04 0.00 -1.18 0.00 0.00 61.69 58.84 2aym s THR 14 Cb -0.07 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.34 2aym s THR 14 CO 0.05 0.00 0.26 -3.20 -0.54 0.00 0.00 174.62 171.19 2aym n ASN 15 N -0.75 -4.04 -4.83 3.99 5.15 -0.81 -0.88 115.26 113.08 2aym n ASN 15 Ca 0.02 -0.09 -0.31 0.00 -0.60 0.00 0.00 54.58 53.60 2aym n ASN 15 Cb 0.63 -3.38 0.04 0.00 -0.53 0.00 0.00 39.78 36.55 2aym n ASN 15 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2aym s LEU 16 N -6.07 3.16 0.61 1.20 1.43 -0.50 -4.15 118.68 114.36 2aym s LEU 16 Ca 0.19 1.58 -0.18 0.00 -1.03 0.00 0.00 54.13 54.70 2aym s LEU 16 Cb -0.10 -4.49 -0.06 0.00 0.03 0.00 0.00 46.19 41.57 2aym s LEU 16 CO 0.24 -1.32 0.71 -2.65 0.23 0.00 0.00 176.35 173.55 2aym n PRO 17 N -3.03 0.62 0.00 1.29 -0.02 -1.26 -4.41 135.00 128.19 2aym n PRO 17 Ca 0.07 0.25 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 2aym n PRO 17 Cb 0.54 -1.91 0.44 0.00 -0.02 0.00 0.00 33.50 32.55 2aym n PRO 17 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2aym n GLU 18 N -0.58 0.38 -0.01 -0.52 1.02 -1.26 -2.67 120.64 117.00 2aym n GLU 18 Ca 0.12 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2aym n GLU 18 Cb 0.48 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.41 2aym n GLU 18 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2aym n GLU 19 N -1.12 2.65 -1.98 3.49 0.28 -1.26 -4.85 120.64 117.84 2aym n GLU 19 Ca 0.10 -1.46 -0.40 0.00 -0.16 0.00 0.00 57.16 55.25 2aym n GLU 19 Cb 0.09 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 31.93 2aym n GLU 19 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2aym s THR 20 N -0.92 2.47 0.16 3.84 2.01 -1.09 -5.05 115.64 117.06 2aym s THR 20 Ca 0.02 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.45 2aym s THR 20 Cb 0.01 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 2aym s THR 20 CO 0.01 0.06 0.01 0.21 -0.69 0.00 0.00 174.62 174.22 2aym s ASN 21 N -0.68 1.02 0.55 3.53 2.47 -1.26 -4.89 114.94 115.69 2aym s ASN 21 Ca 0.58 -1.17 0.23 0.00 0.42 0.00 0.00 52.86 52.92 2aym s ASN 21 Cb -0.40 0.15 1.47 0.00 -1.45 0.00 0.00 41.25 41.02 2aym s ASN 21 CO 0.51 -0.59 2.13 -0.33 -3.72 0.00 0.00 177.10 175.09 2aym h GLU 22 N 2.75 0.00 -0.48 0.43 5.08 -1.96 -1.51 114.58 118.88 2aym h GLU 22 Ca -0.36 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.07 2aym h GLU 22 Cb 1.20 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 2aym h GLU 22 CO 0.62 0.00 0.12 1.98 -1.00 0.00 0.00 179.01 180.74 2aym h MET 23 N 0.00 0.26 0.32 2.33 4.05 -1.98 0.54 114.93 120.46 2aym h MET 23 Ca 0.06 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 2aym h MET 23 Cb 0.28 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2aym h MET 23 CO -0.00 0.17 -0.16 0.52 0.23 0.00 0.00 176.91 177.68 2aym h MET 24 N 0.27 -0.42 -0.07 0.39 2.86 -1.69 -0.08 114.93 116.19 2aym h MET 24 Ca 0.23 0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.77 2aym h MET 24 Cb 0.29 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2aym h MET 24 CO -0.28 -0.24 -0.57 -0.07 1.06 0.00 0.00 176.91 176.80 2aym h LEU 25 N -0.49 0.26 -0.27 1.22 3.38 -1.58 -1.26 115.31 116.57 2aym h LEU 25 Ca -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2aym h LEU 25 Cb 0.37 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2aym h LEU 25 CO 0.07 0.77 0.10 0.28 0.09 0.00 0.00 178.44 179.75 2aym h SER 26 N 0.18 0.37 -0.92 -0.43 0.02 -0.70 0.65 113.55 112.73 2aym h SER 26 Ca -0.00 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.81 2aym h SER 26 Cb 1.05 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 2aym h SER 26 CO 0.09 0.45 0.59 -0.03 -1.14 0.00 0.00 176.83 176.79 2aym h MET 27 N 0.27 1.11 0.17 3.45 1.85 -0.72 0.27 114.93 121.35 2aym h MET 27 Ca 0.09 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 2aym h MET 27 Cb 0.20 -0.25 0.00 0.00 0.43 0.00 0.00 31.60 31.98 2aym h MET 27 CO -0.01 0.74 -0.08 -0.07 -0.40 0.00 0.00 176.91 177.09 2aym h LEU 28 N 1.15 -0.20 0.00 3.39 3.38 -0.96 -3.38 115.31 118.70 2aym h LEU 28 Ca 0.37 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2aym h LEU 28 Cb 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2aym h LEU 28 CO -0.12 0.32 -0.75 -0.26 0.09 0.00 0.00 178.44 177.72 2aym h PHE 29 N -0.82 0.00 0.00 1.13 -1.00 -0.80 -3.24 116.94 112.21 2aym h PHE 29 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2aym h PHE 29 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 2aym h PHE 29 CO 0.08 0.65 0.00 -1.71 -1.61 0.00 0.00 178.31 175.72 2aym n ASN 30 N -3.22 0.23 0.08 2.17 5.15 0.08 -1.50 115.26 118.25 2aym n ASN 30 Ca -0.00 0.58 0.12 0.00 -0.60 0.00 0.00 54.58 54.68 2aym n ASN 30 Cb 0.81 -0.62 0.61 0.00 -0.53 0.00 0.00 39.78 40.04 2aym n ASN 30 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2aym h GLN 31 N 0.00 0.13 -6.42 1.20 4.20 -1.74 -3.42 115.11 109.06 2aym h GLN 31 Ca 0.00 -0.01 -0.53 0.00 0.06 0.00 0.00 58.65 58.17 2aym h GLN 31 Cb 0.15 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2aym h GLN 31 CO 0.00 0.09 0.18 -0.06 -0.67 0.00 0.00 178.83 178.36 2aym s PHE 32 N -5.16 3.83 0.00 2.96 0.08 -0.57 -4.95 117.98 114.18 2aym s PHE 32 Ca -0.06 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2aym s PHE 32 Cb 0.18 -2.80 0.00 0.00 -0.57 0.00 0.00 43.02 39.84 2aym s PHE 32 CO 0.71 0.40 1.02 -0.35 -0.10 0.00 0.00 175.22 176.91 2aym n PRO 33 N 2.16 0.77 0.00 0.24 -0.04 -1.26 -2.75 135.00 134.12 2aym n PRO 33 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2aym n PRO 33 Cb 0.49 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2aym n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aym n GLY 34 N 0.94 1.00 3.64 0.55 0.00 -1.26 -5.03 105.19 105.03 2aym n GLY 34 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2aym n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2aym n PHE 35 N 0.00 0.97 0.00 1.61 -0.00 -1.11 -0.28 117.46 118.65 2aym n PHE 35 Ca 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 57.45 57.86 2aym n PHE 35 Cb 0.10 -2.14 0.00 0.00 -0.00 0.00 0.00 39.48 37.44 2aym n PHE 35 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2aym n LYS 36 N -1.55 0.00 -3.82 -4.13 4.81 0.07 -4.65 118.16 108.90 2aym n LYS 36 Ca 0.14 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.52 2aym n LYS 36 Cb 0.48 -0.37 -0.00 0.00 0.02 0.00 0.00 35.03 35.16 2aym n LYS 36 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2aym s GLU 37 N -1.53 1.62 0.10 1.64 0.41 -0.51 -4.97 118.70 115.46 2aym s GLU 37 Ca 0.00 -0.95 0.05 0.00 -0.41 0.00 0.00 54.97 53.66 2aym s GLU 37 Cb 0.00 0.51 -0.04 0.00 -1.78 0.00 0.00 34.13 32.83 2aym s GLU 37 CO 0.00 -0.75 -0.12 0.08 -0.49 0.00 0.00 175.26 173.98 2aym s VAL 38 N -3.17 1.12 -0.29 2.63 1.01 -1.26 -0.65 120.40 119.79 2aym s VAL 38 Ca 0.14 -1.62 -0.03 0.00 0.00 0.00 0.00 61.98 60.46 2aym s VAL 38 Cb -0.04 -1.38 0.10 0.00 0.00 0.00 0.00 36.38 35.06 2aym s VAL 38 CO 0.06 -0.46 0.12 -0.60 0.00 0.00 0.00 175.10 174.22 2aym s ARG 39 N -2.59 0.32 1.06 2.72 3.00 0.00 -4.96 118.95 118.50 2aym s ARG 39 Ca 0.06 -0.64 -0.15 0.00 -1.00 0.00 0.00 55.73 54.00 2aym s ARG 39 Cb -0.05 -1.40 0.22 0.00 0.00 0.00 0.00 34.95 33.73 2aym s ARG 39 CO 0.02 -0.99 1.11 -0.51 0.00 0.00 0.00 175.30 174.92 2aym s LEU 40 N 1.98 1.33 -0.63 -0.88 2.01 -1.26 -0.71 118.68 120.52 2aym s LEU 40 Ca 0.09 0.95 0.04 0.00 0.01 0.00 0.00 54.13 55.22 2aym s LEU 40 Cb -0.16 -2.98 0.15 0.00 0.01 0.00 0.00 46.19 43.21 2aym s LEU 40 CO -0.33 -3.42 0.41 -0.69 1.01 0.00 0.00 176.35 173.33 2aym s VAL 41 N -3.03 2.83 -0.12 -1.59 1.01 -1.24 -4.87 120.40 113.39 2aym s VAL 41 Ca 0.67 -3.86 0.00 0.00 0.00 0.00 0.00 61.98 58.79 2aym s VAL 41 Cb -0.15 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2aym s VAL 41 CO 0.57 -0.92 0.65 -0.81 0.00 0.00 0.00 175.10 174.58 2aym n PRO 42 N 2.47 0.69 0.00 2.72 -0.04 -1.26 -0.62 135.00 138.96 2aym n PRO 42 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2aym n PRO 42 Cb 0.34 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2aym n PRO 42 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2aym n ASN 43 N 0.60 0.34 0.00 3.54 0.23 -1.26 -4.89 115.26 113.82 2aym n ASN 43 Ca 0.00 -0.74 0.00 0.00 -0.53 0.00 0.00 54.58 53.31 2aym n ASN 43 Cb 0.32 0.18 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 2aym n ASN 43 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2aym n ARG 44 N -0.18 0.18 0.00 -3.83 1.74 0.11 -5.04 116.66 109.64 2aym n ARG 44 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2aym n ARG 44 Cb 0.08 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 2aym n ARG 44 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2aym n HIS 45 N -1.84 0.00 1.06 -1.55 8.25 0.21 -4.67 115.22 116.68 2aym n HIS 45 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 2aym n HIS 45 Cb 0.21 -0.28 0.61 0.00 1.12 0.00 0.00 29.99 31.65 2aym n HIS 45 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2aym n ASP 46 N 0.00 0.00 -4.18 0.41 5.75 -1.26 -4.57 116.55 112.71 2aym n ASP 46 Ca 0.00 0.22 -0.13 0.00 -0.01 0.00 0.00 54.79 54.87 2aym n ASP 46 Cb 0.00 -0.40 -0.10 0.00 -1.03 0.00 0.00 41.12 39.59 2aym n ASP 46 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2aym s ILE 47 N -2.80 0.90 0.37 2.12 -0.00 -1.26 -1.40 121.20 119.12 2aym s ILE 47 Ca 0.18 -1.76 -0.14 0.00 -0.00 0.00 0.00 60.65 58.93 2aym s ILE 47 Cb 0.17 -1.49 0.04 0.00 -0.00 0.00 0.00 42.46 41.19 2aym s ILE 47 CO 0.44 -0.66 0.73 0.00 -0.00 0.00 0.00 174.94 175.45 2aym s ALA 48 N -2.84 -0.55 0.11 2.27 0.00 -0.47 -3.73 121.76 116.54 2aym s ALA 48 Ca 0.08 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.28 2aym s ALA 48 Cb -0.00 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2aym s ALA 48 CO -0.01 -0.96 -0.16 -0.06 0.00 0.00 0.00 175.76 174.57 2aym s PHE 49 N -2.57 1.47 0.05 0.00 0.40 0.12 -0.63 117.98 116.82 2aym s PHE 49 Ca 0.17 -0.50 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 2aym s PHE 49 Cb -0.04 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.68 2aym s PHE 49 CO 0.12 0.15 -0.10 0.08 0.70 0.00 0.00 175.22 176.17 2aym s VAL 50 N -1.72 0.78 0.01 -0.44 1.01 -0.49 -0.82 120.40 118.72 2aym s VAL 50 Ca 0.06 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.95 2aym s VAL 50 Cb -0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 2aym s VAL 50 CO 0.03 -0.28 -0.07 -0.70 0.00 0.00 0.00 175.10 174.09 2aym s GLU 51 N -1.54 0.51 0.22 2.72 2.12 0.18 -0.54 118.70 122.36 2aym s GLU 51 Ca -0.06 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 54.93 2aym s GLU 51 Cb -0.09 -0.45 -0.05 0.00 0.26 0.00 0.00 34.13 33.80 2aym s GLU 51 CO 0.01 0.12 0.05 -0.06 -0.54 0.00 0.00 175.26 174.83 2aym s PHE 52 N -0.45 1.40 0.05 5.30 0.40 0.18 -0.75 117.98 124.11 2aym s PHE 52 Ca -0.01 -1.09 -0.20 0.00 -0.60 0.00 0.00 56.93 55.03 2aym s PHE 52 Cb -0.04 -0.81 -0.12 0.00 0.51 0.00 0.00 43.02 42.55 2aym s PHE 52 CO -0.00 -0.26 1.43 1.15 0.70 0.00 0.00 175.22 178.24 2aym h THR 53 N 2.52 1.30 -3.70 0.64 2.02 -0.91 -3.45 112.91 111.33 2aym h THR 53 Ca -0.38 -1.07 -0.16 0.00 0.77 0.00 0.00 66.41 65.58 2aym h THR 53 Cb 1.23 1.65 -0.21 0.00 -1.74 0.00 0.00 68.15 69.08 2aym h THR 53 CO 0.62 0.32 -0.58 0.42 0.37 0.00 0.00 175.52 176.67 2aym s THR 54 N -4.66 0.09 0.37 3.16 -4.23 -1.26 -4.97 115.64 104.14 2aym s THR 54 Ca -0.14 -0.76 0.08 0.00 -1.18 0.00 0.00 61.69 59.69 2aym s THR 54 Cb 0.06 -0.36 0.14 0.00 1.34 0.00 0.00 72.50 73.68 2aym s THR 54 CO 0.74 -0.42 1.88 -0.33 -0.54 0.00 0.00 174.62 175.95 2aym h GLU 55 N 4.46 0.29 -0.28 3.99 3.07 -1.91 -1.39 114.58 122.80 2aym h GLU 55 Ca -0.31 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 58.33 2aym h GLU 55 Cb 1.20 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2aym h GLU 55 CO 0.41 0.44 -0.43 -0.07 -1.40 0.00 0.00 179.01 177.96 2aym h LEU 56 N 0.27 0.76 0.00 1.33 -0.00 -1.94 -1.84 115.31 113.88 2aym h LEU 56 Ca 0.05 -0.35 -0.27 0.00 -0.00 0.00 0.00 57.88 57.31 2aym h LEU 56 Cb 0.42 -0.21 0.02 0.00 -0.00 0.00 0.00 40.66 40.88 2aym h LEU 56 CO 0.03 1.08 -1.10 1.56 -0.00 0.00 0.00 178.44 180.00 2aym h GLN 57 N 0.57 0.55 -0.71 1.13 4.20 -1.72 -0.22 115.11 118.90 2aym h GLN 57 Ca 0.04 -0.67 -0.00 0.00 0.06 0.00 0.00 58.65 58.08 2aym h GLN 57 Cb 0.97 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 2aym h GLN 57 CO 0.09 1.27 0.43 0.66 -0.67 0.00 0.00 178.83 180.61 2aym h SER 58 N 0.28 0.86 -0.48 1.46 4.64 -1.35 -0.85 113.55 118.10 2aym h SER 58 Ca -0.14 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2aym h SER 58 Cb 1.77 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.61 2aym h SER 58 CO 0.20 0.67 0.30 -1.13 -0.87 0.00 0.00 176.83 176.01 2aym h ASN 59 N 0.97 0.57 -0.62 4.97 -1.24 -1.16 0.85 115.58 119.92 2aym h ASN 59 Ca 0.26 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 2aym h ASN 59 Cb -0.03 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 2aym h ASN 59 CO -0.05 0.44 0.39 0.00 -1.29 0.00 0.00 177.43 176.92 2aym h ALA 60 N 1.15 0.79 -0.73 1.57 0.00 -0.78 -0.14 119.26 121.13 2aym h ALA 60 Ca 0.17 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2aym h ALA 60 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2aym h ALA 60 CO -0.03 0.25 0.20 0.00 0.00 0.00 0.00 179.25 179.67 2aym h ALA 61 N 1.20 0.96 0.08 0.00 0.00 -0.84 -0.83 119.26 119.84 2aym h ALA 61 Ca 0.22 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2aym h ALA 61 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2aym h ALA 61 CO -0.04 0.67 -0.17 -0.22 0.00 0.00 0.00 179.25 179.48 2aym h LYS 62 N 1.09 -0.31 -0.58 0.00 3.64 -0.37 -0.68 116.57 119.36 2aym h LYS 62 Ca 0.23 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2aym h LYS 62 Cb 0.35 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2aym h LYS 62 CO -0.00 -0.21 0.32 0.93 -2.27 0.00 0.00 179.45 178.23 2aym h GLU 63 N -0.32 0.79 -0.20 1.90 4.39 -0.73 0.12 114.58 120.53 2aym h GLU 63 Ca 0.03 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 2aym h GLU 63 Cb 0.34 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2aym h GLU 63 CO -0.10 0.57 -0.51 0.00 -1.16 0.00 0.00 179.01 177.81 2aym h ALA 64 N 1.56 0.74 -0.00 3.43 0.00 -0.77 -3.36 119.26 120.86 2aym h ALA 64 Ca 0.21 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2aym h ALA 64 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2aym h ALA 64 CO -0.04 0.68 -0.06 1.28 0.00 0.00 0.00 179.25 181.12 2aym n LEU 65 N -3.98 1.09 -4.68 0.00 4.77 -0.30 -4.90 117.00 109.01 2aym n LEU 65 Ca -0.03 -0.87 -0.48 0.00 -0.03 0.00 0.00 56.01 54.61 2aym n LEU 65 Cb 0.58 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2aym n LEU 65 CO 0.46 0.23 1.39 0.00 -1.33 0.00 0.00 177.39 178.15 2aym n GLN 66 N -0.09 2.13 -0.88 3.23 1.13 0.00 -1.38 117.38 121.53 2aym n GLN 66 Ca 0.02 0.78 0.00 0.00 -1.94 0.00 0.00 57.00 55.86 2aym n GLN 66 Cb 0.11 -2.59 0.00 0.00 0.11 0.00 0.00 30.24 27.87 2aym n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aym n GLY 67 N 4.06 0.67 3.69 1.08 0.00 -0.03 -5.02 105.19 109.64 2aym n GLY 67 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2aym n GLY 67 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aym s PHE 68 N -2.51 3.19 -0.29 1.61 5.36 -0.48 -4.57 117.98 120.29 2aym s PHE 68 Ca 0.00 1.23 -0.28 0.00 -0.96 0.00 0.00 56.93 56.92 2aym s PHE 68 Cb 0.00 -3.41 -0.03 0.00 -0.34 0.00 0.00 43.02 39.24 2aym s PHE 68 CO 0.00 -1.26 2.00 0.15 -1.46 0.00 0.00 175.22 174.64 2aym s LYS 69 N 2.29 3.20 0.03 10.12 3.01 -1.26 -0.79 119.74 136.33 2aym s LYS 69 Ca 0.55 1.66 -0.19 0.00 -1.01 0.00 0.00 55.97 56.98 2aym s LYS 69 Cb -0.24 -4.29 -0.17 0.00 -1.01 0.00 0.00 37.83 32.12 2aym s LYS 69 CO 0.21 -2.02 1.24 0.82 0.51 0.00 0.00 175.35 176.11 2aym h ILE 70 N 6.98 1.38 -3.51 2.17 2.04 -1.53 -3.46 117.51 121.59 2aym h ILE 70 Ca -0.36 -1.69 -0.32 0.00 1.00 0.00 0.00 64.86 63.49 2aym h ILE 70 Cb 1.20 2.16 -0.15 0.00 -0.74 0.00 0.00 36.82 39.29 2aym h ILE 70 CO 1.01 0.50 -0.69 0.42 0.00 0.00 0.00 178.15 179.39 2aym s THR 71 N -3.80 0.97 0.64 -0.27 -4.23 -1.25 -5.03 115.64 102.68 2aym s THR 71 Ca -0.13 -2.02 0.21 0.00 -1.18 0.00 0.00 61.69 58.56 2aym s THR 71 Cb 0.05 -1.99 0.25 0.00 1.34 0.00 0.00 72.50 72.14 2aym s THR 71 CO 0.80 -0.61 1.57 -0.65 -0.54 0.00 0.00 174.62 175.19 2aym h PRO 72 N 2.72 0.00 0.00 3.99 0.11 -2.00 -0.56 132.00 136.26 2aym h PRO 72 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2aym h PRO 72 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2aym h PRO 72 CO 0.64 0.00 -0.00 0.25 -0.21 0.00 0.00 178.00 178.67 2aym n THR 73 N -2.99 1.02 -3.34 -1.15 -2.24 -1.26 -4.85 114.28 99.46 2aym n THR 73 Ca 0.04 -1.05 -0.26 0.00 -2.27 0.00 0.00 64.05 60.51 2aym n THR 73 Cb 0.77 0.46 -0.08 0.00 -2.10 0.00 0.00 70.33 69.38 2aym n THR 73 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2aym n HIS 74 N -0.55 0.85 -2.00 4.78 8.25 -0.22 -5.03 115.22 121.30 2aym n HIS 74 Ca 0.01 -3.73 -0.42 0.00 -0.26 0.00 0.00 57.72 53.32 2aym n HIS 74 Cb 0.30 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 2aym n HIS 74 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aym s ALA 75 N -1.33 2.76 0.55 -1.41 0.00 -1.26 -1.20 121.76 119.88 2aym s ALA 75 Ca 0.35 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.24 2aym s ALA 75 Cb 0.13 -4.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.14 2aym s ALA 75 CO -0.11 -2.81 1.31 0.00 0.00 0.00 0.00 175.76 174.15 2aym n MET 76 N 8.52 1.58 -4.25 0.00 0.00 0.03 -4.76 117.12 118.24 2aym n MET 76 Ca 0.23 0.58 -0.29 0.00 0.00 0.00 0.00 57.70 58.22 2aym n MET 76 Cb 0.48 -2.52 -0.10 0.00 0.00 0.00 0.00 33.22 31.08 2aym n MET 76 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2aym s LYS 77 N -2.86 2.10 0.03 3.17 1.02 -0.06 -0.85 119.74 122.29 2aym s LYS 77 Ca 0.72 -1.11 0.02 0.00 0.02 0.00 0.00 55.97 55.63 2aym s LYS 77 Cb -0.42 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.61 2aym s LYS 77 CO 0.49 0.48 -0.07 0.42 -0.92 0.00 0.00 175.35 175.75 2aym s ILE 78 N -1.37 0.53 0.12 2.17 1.01 -1.26 -1.13 121.20 121.26 2aym s ILE 78 Ca 0.22 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 2aym s ILE 78 Cb -0.10 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.81 2aym s ILE 78 CO 0.14 -0.28 0.30 0.42 0.00 0.00 0.00 174.94 175.52 2aym s THR 79 N -1.12 0.10 0.36 2.92 -4.23 0.27 -4.98 115.64 108.95 2aym s THR 79 Ca -0.07 -1.02 -0.26 0.00 -1.18 0.00 0.00 61.69 59.15 2aym s THR 79 Cb -0.08 -1.42 -0.09 0.00 1.34 0.00 0.00 72.50 72.25 2aym s THR 79 CO 0.00 -0.44 1.11 -0.36 -0.54 0.00 0.00 174.62 174.39 2aym s PHE 80 N -3.87 3.30 0.75 3.99 0.08 -1.26 -0.61 117.98 120.35 2aym s PHE 80 Ca 0.07 1.63 -0.09 0.00 0.12 0.00 0.00 56.93 58.66 2aym s PHE 80 Cb 0.03 -3.27 0.07 0.00 -0.57 0.00 0.00 43.02 39.28 2aym s PHE 80 CO -0.08 -0.84 1.08 0.00 -0.10 0.00 0.00 175.22 175.28 2aym s ALA 81 N -1.42 2.94 -0.42 5.36 0.00 -0.16 -4.37 121.76 123.70 2aym s ALA 81 Ca 0.53 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.80 2aym s ALA 81 Cb -0.28 -2.76 0.40 0.00 0.00 0.00 0.00 23.12 20.49 2aym s ALA 81 CO 0.36 -1.45 0.96 1.63 0.00 0.00 0.00 175.76 177.26 2aym n LYS 82 N -3.09 2.26 -0.27 0.00 4.01 -1.26 -4.82 118.16 115.00 2aym n LYS 82 Ca 0.08 -3.99 0.00 0.00 -0.51 0.00 0.00 58.31 53.88 2aym n LYS 82 Cb 0.61 -1.84 0.00 0.00 -0.51 0.00 0.00 35.03 33.28 2aym n LYS 82 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92