#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aym s GLN 2 N 0.00 1.03 -0.05 0.00 -2.07 -1.26 -5.16 119.66 112.15 2aym s GLN 2 Ca 0.00 -0.82 -0.07 0.00 -1.82 0.00 0.00 55.36 52.65 2aym s GLN 2 Cb 0.00 0.43 0.01 0.00 -1.09 0.00 0.00 33.01 32.37 2aym s GLN 2 CO 0.00 -0.39 0.19 0.99 -1.32 0.00 0.00 175.29 174.76 2aym s THR 3 N -3.83 0.02 0.29 3.63 2.01 -1.26 -5.14 115.64 111.36 2aym s THR 3 Ca 0.05 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.55 2aym s THR 3 Cb 0.03 -0.34 -0.09 0.00 0.01 0.00 0.00 72.50 72.10 2aym s THR 3 CO -0.10 -0.11 1.09 -1.61 -0.69 0.00 0.00 174.62 173.19 2aym s GLU 4 N -0.36 4.58 0.16 4.92 2.02 -1.26 -4.41 118.70 124.35 2aym s GLU 4 Ca -0.05 1.76 -0.09 0.00 0.02 0.00 0.00 54.97 56.61 2aym s GLU 4 Cb -0.03 -3.11 -0.01 0.00 0.10 0.00 0.00 34.13 31.09 2aym s GLU 4 CO 0.01 0.17 0.29 -0.65 0.02 0.00 0.00 175.26 175.10 2aym s GLN 5 N -1.58 1.14 0.90 1.61 -1.52 -1.26 -5.04 119.66 113.90 2aym s GLN 5 Ca 0.46 -1.13 -0.14 0.00 -1.95 0.00 0.00 55.36 52.61 2aym s GLN 5 Cb -0.31 0.38 0.02 0.00 -0.22 0.00 0.00 33.01 32.88 2aym s GLN 5 CO 0.39 -0.42 0.43 -2.30 -0.25 0.00 0.00 175.29 173.14 2aym n PRO 6 N -0.21 -0.14 -1.56 2.91 -0.02 -1.26 -4.84 135.00 129.89 2aym n PRO 6 Ca -0.08 0.01 -0.45 0.00 -2.02 0.00 0.00 63.50 60.95 2aym n PRO 6 Cb 0.63 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.43 1.12 -3.80 0.52 -0.02 -1.26 -4.92 135.00 125.20 2aym n PRO 7 Ca 0.07 0.39 -0.13 0.00 -2.02 0.00 0.00 63.50 61.82 2aym n PRO 7 Cb 0.53 -1.70 -0.09 0.00 -0.02 0.00 0.00 33.50 32.22 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 -0.64 -0.12 0.00 2.55 2.47 -1.26 -4.96 114.94 112.99 2aym s ASN 8 Ca 0.60 -0.01 0.06 0.00 0.42 0.00 0.00 52.86 53.93 2aym s ASN 8 Cb -0.74 0.28 0.37 0.00 -1.45 0.00 0.00 41.25 39.71 2aym s ASN 8 CO 0.59 -0.41 0.99 0.00 -3.72 0.00 0.00 177.10 174.55 2aym n GLN 9 N 1.38 0.71 -4.41 0.43 10.64 -1.26 -4.64 117.38 120.23 2aym n GLN 9 Ca -0.22 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.76 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 -2.00 0.83 0.08 -0.39 1.01 -1.26 -0.75 121.20 118.72 2aym s ILE 10 Ca 0.09 -0.53 0.09 0.00 0.00 0.00 0.00 60.65 60.30 2aym s ILE 10 Cb 0.04 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 2aym s ILE 10 CO 0.07 0.17 -0.23 -0.76 0.00 0.00 0.00 174.94 174.20 2aym s LEU 11 N -0.40 2.25 -0.11 2.97 1.43 0.15 -1.05 118.68 123.92 2aym s LEU 11 Ca 0.03 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 52.49 2aym s LEU 11 Cb -0.05 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 2aym s LEU 11 CO -0.00 0.14 -0.10 0.12 0.23 0.00 0.00 176.35 176.74 2aym s PHE 12 N -0.98 2.86 0.04 0.29 5.36 0.21 -1.34 117.98 124.42 2aym s PHE 12 Ca 0.09 -0.34 0.08 0.00 -0.96 0.00 0.00 56.93 55.80 2aym s PHE 12 Cb -0.10 -1.80 -0.03 0.00 -0.34 0.00 0.00 43.02 40.76 2aym s PHE 12 CO 0.04 0.01 -0.22 -0.51 -1.46 0.00 0.00 175.22 173.07 2aym s LEU 13 N -0.08 2.16 0.25 6.12 1.02 0.19 -0.76 118.68 127.59 2aym s LEU 13 Ca -0.01 -0.54 -0.05 0.00 0.02 0.00 0.00 54.13 53.55 2aym s LEU 13 Cb -0.14 -1.07 -0.02 0.00 0.02 0.00 0.00 46.19 44.99 2aym s LEU 13 CO 0.03 0.19 0.32 0.42 0.02 0.00 0.00 176.35 177.34 2aym s THR 14 N -0.79 0.00 -1.42 5.49 -4.23 -0.23 -1.30 115.64 113.15 2aym s THR 14 Ca 0.09 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 2aym s THR 14 Cb -0.09 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.33 2aym s THR 14 CO 0.02 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.90 2aym n ASN 15 N -0.59 -4.71 -4.85 3.99 5.15 -0.89 -1.10 115.26 112.26 2aym n ASN 15 Ca 0.01 0.14 -0.31 0.00 -0.60 0.00 0.00 54.58 53.82 2aym n ASN 15 Cb 0.64 -3.99 0.03 0.00 -0.53 0.00 0.00 39.78 35.92 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 -5.58 3.09 0.62 1.20 1.43 -0.55 -4.19 118.68 114.70 2aym s LEU 16 Ca 0.00 1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 54.34 2aym s LEU 16 Cb 0.00 -4.34 -0.06 0.00 0.03 0.00 0.00 46.19 41.82 2aym s LEU 16 CO 0.00 -1.20 0.67 -2.65 0.23 0.00 0.00 176.35 173.40 2aym n PRO 17 N -2.96 0.57 0.00 1.29 -0.02 -1.26 -4.34 135.00 128.28 2aym n PRO 17 Ca 0.07 0.23 0.07 0.00 -2.02 0.00 0.00 63.50 61.84 2aym n PRO 17 Cb 0.55 -1.89 0.37 0.00 -0.02 0.00 0.00 33.50 32.51 2aym n PRO 17 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2aym n GLU 18 N -0.58 0.31 -0.05 -0.52 0.28 -1.26 -2.66 120.64 116.17 2aym n GLU 18 Ca 0.12 0.08 0.02 0.00 -0.16 0.00 0.00 57.16 57.22 2aym n GLU 18 Cb 0.48 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.88 2aym n GLU 18 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2aym n GLU 19 N -1.14 1.92 -1.81 3.44 0.28 -1.26 -4.81 120.64 117.27 2aym n GLU 19 Ca 0.08 -1.52 -0.38 0.00 -0.16 0.00 0.00 57.16 55.19 2aym n GLU 19 Cb 0.07 -0.98 0.04 0.00 1.43 0.00 0.00 31.44 32.00 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 -1.15 2.13 0.04 3.84 2.01 -1.09 -5.04 115.64 116.39 2aym s THR 20 Ca 0.07 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 2aym s THR 20 Cb 0.06 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 2aym s THR 20 CO 0.01 -0.00 -0.00 0.21 -0.69 0.00 0.00 174.62 174.14 2aym s ASN 21 N -1.04 0.38 0.29 3.53 3.84 -1.26 -4.89 114.94 115.79 2aym s ASN 21 Ca 0.73 -0.81 0.03 0.00 0.21 0.00 0.00 52.86 53.01 2aym s ASN 21 Cb -0.39 0.19 0.71 0.00 -0.55 0.00 0.00 41.25 41.21 2aym s ASN 21 CO 0.46 -0.53 1.67 -0.08 -2.79 0.00 0.00 177.10 175.82 2aym h GLU 22 N 3.51 0.27 -0.35 0.43 4.81 -1.97 -1.04 114.58 120.25 2aym h GLU 22 Ca -0.33 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 58.81 2aym h GLU 22 Cb 1.16 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2aym h GLU 22 CO 0.58 0.18 -0.09 0.52 -0.73 0.00 0.00 179.01 179.47 2aym h MET 23 N 0.28 0.59 0.42 1.92 2.86 -1.98 -1.16 114.93 117.86 2aym h MET 23 Ca 0.55 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 58.00 2aym h MET 23 Cb 1.09 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2aym h MET 23 CO -0.60 0.68 -0.20 0.52 1.06 0.00 0.00 176.91 178.37 2aym h MET 24 N 0.55 -0.54 -0.18 1.72 2.86 -1.60 -0.70 114.93 117.03 2aym h MET 24 Ca 0.10 0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.65 2aym h MET 24 Cb 0.49 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2aym h MET 24 CO 0.03 -0.27 -0.43 -0.07 1.06 0.00 0.00 176.91 177.23 2aym h LEU 25 N -0.76 0.46 -0.27 1.22 3.38 -1.49 -1.15 115.31 116.70 2aym h LEU 25 Ca -0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2aym h LEU 25 Cb 0.53 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2aym h LEU 25 CO 0.09 0.84 0.15 0.28 0.09 0.00 0.00 178.44 179.89 2aym h SER 26 N 0.36 0.33 -0.74 -0.43 0.02 -1.15 -0.08 113.55 111.87 2aym h SER 26 Ca 0.03 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2aym h SER 26 Cb 0.90 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 2aym h SER 26 CO 0.08 0.31 0.48 -0.03 -1.14 0.00 0.00 176.83 176.53 2aym h MET 27 N 0.32 0.93 0.08 3.45 1.85 -0.83 -0.43 114.93 120.29 2aym h MET 27 Ca 0.09 -0.06 -0.00 0.00 -0.61 0.00 0.00 59.70 59.13 2aym h MET 27 Cb 0.05 -0.21 0.00 0.00 0.43 0.00 0.00 31.60 31.87 2aym h MET 27 CO -0.02 0.61 -0.04 -0.07 -0.40 0.00 0.00 176.91 177.00 2aym h LEU 28 N 0.95 -0.09 0.00 3.39 3.38 -0.79 -3.32 115.31 118.83 2aym h LEU 28 Ca 0.28 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2aym h LEU 28 Cb -0.05 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2aym h LEU 28 CO -0.08 0.29 -0.72 -0.26 0.09 0.00 0.00 178.44 177.76 2aym h PHE 29 N -0.48 0.00 0.00 1.13 -1.00 -0.97 -3.33 116.94 112.29 2aym h PHE 29 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2aym h PHE 29 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 2aym h PHE 29 CO 0.05 0.52 0.00 -1.71 -1.61 0.00 0.00 178.31 175.56 2aym n ASN 30 N -3.15 0.52 0.16 2.17 5.15 -0.18 -1.73 115.26 118.20 2aym n ASN 30 Ca -0.01 0.68 0.14 0.00 -0.60 0.00 0.00 54.58 54.80 2aym n ASN 30 Cb 0.76 -0.77 0.70 0.00 -0.53 0.00 0.00 39.78 39.94 2aym n ASN 30 CO 0.00 0.00 0.00 0.06 1.40 0.00 0.00 177.26 178.72 2aym h GLN 31 N 0.00 0.00 -6.24 1.20 3.07 -1.72 -3.41 115.11 108.00 2aym h GLN 31 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 2aym h GLN 31 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.69 2aym h GLN 31 CO 0.00 0.00 0.12 -0.06 0.09 0.00 0.00 178.83 178.98 2aym s PHE 32 N -4.96 3.72 0.00 0.06 0.08 -0.71 -4.95 117.98 111.22 2aym s PHE 32 Ca -0.05 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.41 2aym s PHE 32 Cb 0.18 -2.77 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 2aym s PHE 32 CO 0.67 0.29 1.24 -0.35 -0.10 0.00 0.00 175.22 176.97 2aym n PRO 33 N 2.80 0.77 0.00 0.24 -0.04 -1.26 -2.62 135.00 134.89 2aym n PRO 33 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2aym n PRO 33 Cb 0.50 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 1.23 1.00 3.63 0.55 0.00 -1.26 -5.03 105.19 105.32 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 0.94 0.01 1.61 7.35 -1.08 -0.24 117.46 126.05 2aym n PHE 35 Ca 0.00 0.42 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 2aym n PHE 35 Cb 0.06 -2.14 0.00 0.00 0.35 0.00 0.00 39.48 37.75 2aym n PHE 35 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2aym n LYS 36 N -1.39 0.00 -3.76 -4.13 5.02 -0.39 -4.71 118.16 108.80 2aym n LYS 36 Ca 0.14 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.35 2aym n LYS 36 Cb 0.48 -0.19 -0.02 0.00 -0.02 0.00 0.00 35.03 35.28 2aym n LYS 36 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2aym s GLU 37 N -2.00 1.64 0.18 1.97 2.56 -0.65 -5.01 118.70 117.39 2aym s GLU 37 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 54.97 54.14 2aym s GLU 37 Cb 0.00 0.59 -0.05 0.00 2.00 0.00 0.00 34.13 36.67 2aym s GLU 37 CO 0.00 -0.75 -0.03 0.14 -0.56 0.00 0.00 175.26 174.06 2aym s VAL 38 N -3.84 0.91 -0.30 3.70 -7.23 -1.26 -0.51 120.40 111.87 2aym s VAL 38 Ca 0.09 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 2aym s VAL 38 Cb -0.05 -2.08 0.10 0.00 0.56 0.00 0.00 36.38 34.91 2aym s VAL 38 CO 0.02 -0.53 0.12 -0.60 -0.31 0.00 0.00 175.10 173.81 2aym s ARG 39 N -3.85 0.42 1.00 4.82 3.52 0.18 -4.96 118.95 120.09 2aym s ARG 39 Ca 0.22 -0.80 -0.12 0.00 -0.13 0.00 0.00 55.73 54.90 2aym s ARG 39 Cb 0.05 -1.51 0.19 0.00 -1.56 0.00 0.00 34.95 32.12 2aym s ARG 39 CO 0.04 -1.02 1.09 -0.51 -0.81 0.00 0.00 175.30 174.09 2aym s LEU 40 N 1.84 1.64 -0.63 -0.88 2.01 -1.26 -0.79 118.68 120.61 2aym s LEU 40 Ca 0.10 1.30 0.03 0.00 0.01 0.00 0.00 54.13 55.57 2aym s LEU 40 Cb -0.17 -3.50 0.16 0.00 0.01 0.00 0.00 46.19 42.69 2aym s LEU 40 CO -0.30 -3.18 0.41 -0.69 1.01 0.00 0.00 176.35 173.60 2aym s VAL 41 N -2.89 3.01 -0.16 -1.59 1.01 -1.24 -4.90 120.40 113.64 2aym s VAL 41 Ca 0.65 -3.64 0.00 0.00 0.00 0.00 0.00 61.98 58.99 2aym s VAL 41 Cb -0.19 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2aym s VAL 41 CO 0.58 -0.90 0.65 -0.81 0.00 0.00 0.00 175.10 174.62 2aym n PRO 42 N 2.71 0.70 0.00 2.72 -0.04 -1.26 -0.48 135.00 139.35 2aym n PRO 42 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 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 0.57 0.36 0.00 3.54 0.23 -1.26 -4.89 115.26 113.81 2aym n ASN 43 Ca 0.00 -0.81 0.00 0.00 -0.53 0.00 0.00 54.58 53.24 2aym n ASN 43 Cb 0.32 0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 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 -0.12 0.00 0.00 -3.83 1.74 0.12 -5.04 116.66 109.52 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 0.10 -0.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.87 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 -1.90 0.00 1.10 -1.55 8.25 0.36 -4.68 115.22 116.81 2aym n HIS 45 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 2aym n HIS 45 Cb 0.18 -0.27 0.61 0.00 1.12 0.00 0.00 29.99 31.63 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 0.02 0.00 -4.18 0.41 5.75 -1.25 -4.51 116.55 112.79 2aym n ASP 46 Ca 0.00 0.10 -0.13 0.00 -0.01 0.00 0.00 54.79 54.75 2aym n ASP 46 Cb 0.00 -0.35 -0.10 0.00 -1.03 0.00 0.00 41.12 39.64 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 -2.70 0.85 0.37 2.12 -0.00 -1.26 -1.48 121.20 119.09 2aym s ILE 47 Ca 0.20 -1.81 -0.15 0.00 -0.00 0.00 0.00 60.65 58.90 2aym s ILE 47 Cb 0.17 -1.54 0.04 0.00 -0.00 0.00 0.00 42.46 41.14 2aym s ILE 47 CO 0.41 -0.72 0.75 0.00 -0.00 0.00 0.00 174.94 175.38 2aym s ALA 48 N -3.04 -0.65 0.12 2.27 0.00 -0.42 -3.66 121.76 116.37 2aym s ALA 48 Ca 0.09 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2aym s ALA 48 Cb 0.01 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2aym s ALA 48 CO -0.02 -0.97 -0.12 -0.06 0.00 0.00 0.00 175.76 174.58 2aym s PHE 49 N -2.60 1.28 0.01 0.00 0.40 0.03 -0.63 117.98 116.47 2aym s PHE 49 Ca 0.16 -0.60 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 2aym s PHE 49 Cb -0.05 -0.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.80 2aym s PHE 49 CO 0.12 0.10 -0.05 0.08 0.70 0.00 0.00 175.22 176.16 2aym s VAL 50 N -2.35 0.39 -0.01 -0.44 1.01 -0.45 -0.64 120.40 117.91 2aym s VAL 50 Ca 0.09 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2aym s VAL 50 Cb -0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 2aym s VAL 50 CO 0.02 -0.10 -0.09 -0.70 0.00 0.00 0.00 175.10 174.22 2aym s GLU 51 N -0.68 0.77 0.24 2.72 2.12 0.34 -0.68 118.70 123.53 2aym s GLU 51 Ca -0.03 -0.34 0.03 0.00 0.36 0.00 0.00 54.97 54.98 2aym s GLU 51 Cb -0.05 -0.74 -0.05 0.00 0.26 0.00 0.00 34.13 33.54 2aym s GLU 51 CO -0.00 0.20 0.03 -0.06 -0.54 0.00 0.00 175.26 174.89 2aym s PHE 52 N -0.22 1.54 0.04 5.30 0.40 0.07 -1.26 117.98 123.86 2aym s PHE 52 Ca 0.04 -1.00 -0.20 0.00 -0.60 0.00 0.00 56.93 55.16 2aym s PHE 52 Cb -0.04 -0.91 -0.14 0.00 0.51 0.00 0.00 43.02 42.45 2aym s PHE 52 CO -0.00 -0.13 1.37 1.15 0.70 0.00 0.00 175.22 178.30 2aym h THR 53 N 2.45 1.33 -3.81 0.64 2.02 -0.89 -3.46 112.91 111.20 2aym h THR 53 Ca -0.38 -1.25 -0.18 0.00 0.77 0.00 0.00 66.41 65.36 2aym h THR 53 Cb 1.23 1.81 -0.23 0.00 -1.74 0.00 0.00 68.15 69.22 2aym h THR 53 CO 0.64 0.37 -0.67 0.42 0.37 0.00 0.00 175.52 176.65 2aym s THR 54 N -4.39 0.07 0.41 3.16 -4.23 -1.26 -4.99 115.64 104.41 2aym s THR 54 Ca -0.14 -0.57 0.09 0.00 -1.18 0.00 0.00 61.69 59.88 2aym s THR 54 Cb 0.05 -0.21 0.21 0.00 1.34 0.00 0.00 72.50 73.90 2aym s THR 54 CO 0.75 -0.32 2.00 -0.33 -0.54 0.00 0.00 174.62 176.18 2aym h GLU 55 N 5.09 0.35 -0.16 3.99 5.08 -1.91 -1.14 114.58 125.89 2aym h GLU 55 Ca -0.29 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 57.89 2aym h GLU 55 Cb 1.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2aym h GLU 55 CO 0.44 0.34 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.26 2aym h LEU 56 N 0.35 0.43 0.19 1.33 -0.00 -1.94 -1.71 115.31 113.96 2aym h LEU 56 Ca 0.09 -0.20 -0.31 0.00 -0.00 0.00 0.00 57.88 57.45 2aym h LEU 56 Cb 0.15 -0.12 0.02 0.00 -0.00 0.00 0.00 40.66 40.71 2aym h LEU 56 CO -0.00 0.83 -1.42 1.56 -0.00 0.00 0.00 178.44 179.40 2aym h GLN 57 N 0.32 0.41 -0.83 1.13 4.20 -1.65 -0.61 115.11 118.08 2aym h GLN 57 Ca 0.02 -0.69 -0.03 0.00 0.06 0.00 0.00 58.65 58.00 2aym h GLN 57 Cb 0.93 0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.93 2aym h GLN 57 CO 0.08 1.32 0.38 0.66 -0.67 0.00 0.00 178.83 180.61 2aym h SER 58 N 0.11 1.10 -0.22 1.46 4.64 -1.40 -0.63 113.55 118.61 2aym h SER 58 Ca -0.22 -0.14 0.02 0.00 -0.47 0.00 0.00 61.79 60.98 2aym h SER 58 Cb 2.08 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.87 2aym h SER 58 CO 0.23 0.93 0.08 -1.13 -0.87 0.00 0.00 176.83 176.07 2aym h ASN 59 N 1.19 0.10 -0.62 4.97 -1.24 -1.23 0.13 115.58 118.87 2aym h ASN 59 Ca 0.28 0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.34 2aym h ASN 59 Cb 0.14 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 2aym h ASN 59 CO -0.03 0.09 0.39 0.00 -1.29 0.00 0.00 177.43 176.58 2aym h ALA 60 N 1.13 0.80 -0.67 1.57 0.00 -0.81 -1.11 119.26 120.18 2aym h ALA 60 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2aym h ALA 60 Cb 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2aym h ALA 60 CO -0.09 0.15 0.22 0.00 0.00 0.00 0.00 179.25 179.53 2aym h ALA 61 N 1.26 1.13 0.35 0.00 0.00 -0.76 -0.88 119.26 120.36 2aym h ALA 61 Ca 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2aym h ALA 61 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2aym h ALA 61 CO -0.09 0.60 -0.23 -0.22 0.00 0.00 0.00 179.25 179.31 2aym h LYS 62 N 0.98 -0.55 -0.38 0.00 3.64 -0.19 -0.76 116.57 119.31 2aym h LYS 62 Ca 0.22 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2aym h LYS 62 Cb 0.25 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2aym h LYS 62 CO -0.01 -0.36 0.22 0.93 -2.27 0.00 0.00 179.45 177.95 2aym h GLU 63 N -0.57 0.51 -0.16 1.90 4.39 -0.90 0.23 114.58 119.98 2aym h GLU 63 Ca -0.03 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.43 2aym h GLU 63 Cb 0.48 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2aym h GLU 63 CO 0.02 0.37 -0.68 0.00 -1.16 0.00 0.00 179.01 177.56 2aym h ALA 64 N 1.72 0.49 -0.00 3.43 0.00 -0.90 -3.38 119.26 120.61 2aym h ALA 64 Ca 0.14 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2aym h ALA 64 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2aym h ALA 64 CO -0.02 0.71 -0.10 1.28 0.00 0.00 0.00 179.25 181.11 2aym n LEU 65 N -3.93 0.90 -4.68 0.00 4.77 -0.31 -4.88 117.00 108.87 2aym n LEU 65 Ca -0.05 -0.77 -0.45 0.00 -0.03 0.00 0.00 56.01 54.70 2aym n LEU 65 Cb 0.69 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.74 2aym n LEU 65 CO 0.50 0.19 1.32 0.00 -1.33 0.00 0.00 177.39 178.08 2aym n GLN 66 N -0.34 2.38 -0.68 3.23 6.02 0.04 -1.43 117.38 126.60 2aym n GLN 66 Ca 0.02 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.87 2aym n GLN 66 Cb 0.11 -2.68 0.00 0.00 1.02 0.00 0.00 30.24 28.69 2aym n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aym n GLY 67 N 3.81 0.98 3.67 1.08 0.00 0.19 -5.00 105.19 109.92 2aym n GLY 67 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.42 2.50 -0.33 1.61 5.36 -0.52 -4.51 117.98 118.68 2aym s PHE 68 Ca 0.00 0.57 -0.28 0.00 -0.96 0.00 0.00 56.93 56.27 2aym s PHE 68 Cb 0.00 -3.76 -0.04 0.00 -0.34 0.00 0.00 43.02 38.89 2aym s PHE 68 CO 0.00 -2.98 2.03 0.15 -1.46 0.00 0.00 175.22 172.96 2aym s LYS 69 N 3.17 3.07 0.07 10.12 3.01 -1.26 -0.43 119.74 137.50 2aym s LYS 69 Ca 0.67 1.59 -0.17 0.00 -1.01 0.00 0.00 55.97 57.04 2aym s LYS 69 Cb -0.31 -4.32 -0.11 0.00 -1.01 0.00 0.00 37.83 32.07 2aym s LYS 69 CO 0.26 -2.17 1.38 0.82 0.51 0.00 0.00 175.35 176.15 2aym h ILE 70 N 7.04 1.32 -3.68 2.17 2.04 -1.57 -3.45 117.51 121.38 2aym h ILE 70 Ca -0.35 -1.39 -0.28 0.00 1.00 0.00 0.00 64.86 63.84 2aym h ILE 70 Cb 1.20 1.73 -0.15 0.00 -0.74 0.00 0.00 36.82 38.87 2aym h ILE 70 CO 1.03 0.43 -0.68 0.42 0.00 0.00 0.00 178.15 179.35 2aym s THR 71 N -4.32 0.80 0.65 -0.27 -4.23 -1.25 -5.03 115.64 101.99 2aym s THR 71 Ca -0.13 -1.98 0.19 0.00 -1.18 0.00 0.00 61.69 58.59 2aym s THR 71 Cb 0.07 -1.92 0.21 0.00 1.34 0.00 0.00 72.50 72.20 2aym s THR 71 CO 0.79 -0.66 1.56 -0.65 -0.54 0.00 0.00 174.62 175.13 2aym h PRO 72 N 2.79 0.00 0.00 3.99 0.11 -2.00 -0.76 132.00 136.13 2aym h PRO 72 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2aym h PRO 72 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2aym h PRO 72 CO 0.64 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 178.67 2aym n THR 73 N -2.86 0.96 -3.43 -1.15 -2.24 -1.26 -4.86 114.28 99.45 2aym n THR 73 Ca 0.01 -1.01 -0.26 0.00 -2.27 0.00 0.00 64.05 60.52 2aym n THR 73 Cb 0.70 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.54 0.68 -1.95 4.78 8.25 -0.29 -5.02 115.22 121.12 2aym n HIS 74 Ca 0.02 -3.69 -0.43 0.00 -0.26 0.00 0.00 57.72 53.36 2aym n HIS 74 Cb 0.34 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.98 3.01 -0.06 -1.41 0.00 -1.26 -1.32 121.76 119.74 2aym s ALA 75 Ca 0.33 0.47 -0.38 0.00 0.00 0.00 0.00 51.96 52.39 2aym s ALA 75 Cb 0.08 -3.96 -0.16 0.00 0.00 0.00 0.00 23.12 19.08 2aym s ALA 75 CO -0.14 -2.38 1.53 -0.12 0.00 0.00 0.00 175.76 174.65 2aym n MET 76 N 8.20 1.23 -4.25 0.00 1.56 0.43 -4.74 117.12 119.54 2aym n MET 76 Ca 0.23 0.45 -0.33 0.00 -0.27 0.00 0.00 57.70 57.77 2aym n MET 76 Cb 0.46 -2.12 -0.08 0.00 2.15 0.00 0.00 33.22 33.62 2aym n MET 76 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 2aym s LYS 77 N 1.85 2.85 0.01 2.12 2.20 -0.26 -0.64 119.74 127.87 2aym s LYS 77 Ca 0.90 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 2aym s LYS 77 Cb -0.98 -2.71 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 2aym s LYS 77 CO 0.54 0.63 -0.06 0.42 -0.36 0.00 0.00 175.35 176.52 2aym s ILE 78 N -1.10 0.45 0.03 5.43 1.01 -1.26 -1.07 121.20 124.69 2aym s ILE 78 Ca 0.20 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.34 2aym s ILE 78 Cb -0.12 -0.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 2aym s ILE 78 CO 0.10 -0.05 -0.03 0.42 0.00 0.00 0.00 174.94 175.38 2aym s THR 79 N -0.54 0.18 0.13 2.92 -4.23 0.06 -5.01 115.64 109.15 2aym s THR 79 Ca -0.02 -1.26 -0.31 0.00 -1.18 0.00 0.00 61.69 58.92 2aym s THR 79 Cb -0.05 -0.75 -0.08 0.00 1.34 0.00 0.00 72.50 72.96 2aym s THR 79 CO -0.00 -0.68 1.32 -0.36 -0.54 0.00 0.00 174.62 174.36 2aym s PHE 80 N -2.38 3.30 1.06 3.99 0.08 -1.26 -0.62 117.98 122.16 2aym s PHE 80 Ca -0.07 1.12 -0.17 0.00 0.12 0.00 0.00 56.93 57.92 2aym s PHE 80 Cb -0.03 -3.59 0.24 0.00 -0.57 0.00 0.00 43.02 39.06 2aym s PHE 80 CO -0.04 -1.95 1.24 0.00 -0.10 0.00 0.00 175.22 174.37 2aym s ALA 81 N 0.80 1.58 -0.15 5.36 0.00 -0.21 -4.63 121.76 124.51 2aym s ALA 81 Ca 0.61 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 2aym s ALA 81 Cb -0.35 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.00 2aym s ALA 81 CO 0.32 -2.92 -0.07 0.15 0.00 0.00 0.00 175.76 173.25 2aym s LYS 82 N -5.71 1.53 0.00 0.00 1.02 -1.26 -4.79 119.74 110.53 2aym s LYS 82 Ca 0.73 -0.47 0.08 0.00 0.02 0.00 0.00 55.97 56.33 2aym s LYS 82 Cb -0.06 -1.93 0.46 0.00 -0.52 0.00 0.00 37.83 35.78 2aym s LYS 82 CO 0.54 -0.38 0.91 1.63 -0.92 0.00 0.00 175.35 177.14