#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 3.48 -0.01 0.00 -0.21 -1.26 -5.02 119.66 116.64 2aym s GLN 2 Ca 0.00 2.39 -0.08 0.00 0.02 0.00 0.00 55.36 57.69 2aym s GLN 2 Cb 0.00 -2.52 0.01 0.00 1.00 0.00 0.00 33.01 31.50 2aym s GLN 2 CO 0.00 -0.97 0.16 0.95 -2.12 0.00 0.00 175.29 173.31 2aym s THR 3 N -1.22 0.06 -0.65 -0.19 -4.23 -1.26 -5.07 115.64 103.08 2aym s THR 3 Ca 0.65 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.66 2aym s THR 3 Cb -0.43 -0.41 0.37 0.00 1.34 0.00 0.00 72.50 73.37 2aym s THR 3 CO 0.54 -0.29 1.42 -0.62 -0.54 0.00 0.00 174.62 175.14 2aym n GLU 4 N 1.77 3.45 -0.63 3.99 1.02 -1.26 -2.13 120.64 126.85 2aym n GLU 4 Ca -0.20 -4.32 -0.30 0.00 -0.02 0.00 0.00 57.16 52.31 2aym n GLU 4 Cb 0.56 -2.28 0.20 0.00 -0.02 0.00 0.00 31.44 29.90 2aym n GLU 4 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2aym s GLN 5 N -3.77 0.22 0.71 3.49 -1.52 -1.26 -5.02 119.66 112.50 2aym s GLN 5 Ca 0.48 1.28 -0.17 0.00 -1.95 0.00 0.00 55.36 55.01 2aym s GLN 5 Cb 0.36 -1.65 -0.06 0.00 -0.22 0.00 0.00 33.01 31.44 2aym s GLN 5 CO -0.24 -3.09 0.35 -2.30 -0.25 0.00 0.00 175.29 169.76 2aym n PRO 6 N -4.52 0.25 -1.57 2.91 -0.02 -1.26 -4.86 135.00 125.93 2aym n PRO 6 Ca 0.08 0.11 -0.45 0.00 -2.02 0.00 0.00 63.50 61.23 2aym n PRO 6 Cb 0.53 -1.66 -0.02 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.19 1.17 -3.90 0.52 -0.02 -1.26 -5.00 135.00 126.33 2aym n PRO 7 Ca 0.09 0.41 -0.11 0.00 -2.02 0.00 0.00 63.50 61.87 2aym n PRO 7 Cb 0.50 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.14 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 -0.60 0.07 0.00 2.55 2.47 -1.26 -4.92 114.94 113.26 2aym s ASN 8 Ca 0.60 -0.26 0.10 0.00 0.42 0.00 0.00 52.86 53.72 2aym s ASN 8 Cb -0.73 0.18 0.62 0.00 -1.45 0.00 0.00 41.25 39.86 2aym s ASN 8 CO 0.59 -0.34 1.09 0.00 -3.72 0.00 0.00 177.10 174.73 2aym n GLN 9 N 1.56 0.57 -4.42 0.43 10.64 -1.26 -4.61 117.38 120.30 2aym n GLN 9 Ca -0.23 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.75 2aym n GLN 9 Cb 0.56 -1.28 -0.14 0.00 -0.86 0.00 0.00 30.24 28.51 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 0.89 0.05 -0.39 1.01 -1.26 -0.77 121.20 118.74 2aym s ILE 10 Ca 0.16 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.27 2aym s ILE 10 Cb 0.07 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2aym s ILE 10 CO 0.12 0.16 -0.19 -0.76 0.00 0.00 0.00 174.94 174.27 2aym s LEU 11 N -0.50 2.20 -0.09 2.97 1.43 0.28 -1.12 118.68 123.84 2aym s LEU 11 Ca 0.03 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2aym s LEU 11 Cb -0.05 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.28 2aym s LEU 11 CO -0.00 0.11 -0.15 0.12 0.23 0.00 0.00 176.35 176.65 2aym s PHE 12 N -0.89 2.71 0.07 0.29 5.36 0.00 -1.44 117.98 124.08 2aym s PHE 12 Ca 0.06 -0.47 0.07 0.00 -0.96 0.00 0.00 56.93 55.62 2aym s PHE 12 Cb -0.09 -1.72 -0.03 0.00 -0.34 0.00 0.00 43.02 40.84 2aym s PHE 12 CO 0.02 -0.06 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.03 2aym s LEU 13 N -0.15 2.23 0.29 6.12 1.02 0.12 -0.64 118.68 127.68 2aym s LEU 13 Ca -0.01 -0.58 -0.01 0.00 0.02 0.00 0.00 54.13 53.55 2aym s LEU 13 Cb -0.14 -0.80 -0.02 0.00 0.02 0.00 0.00 46.19 45.25 2aym s LEU 13 CO 0.03 0.06 0.33 0.42 0.02 0.00 0.00 176.35 177.22 2aym s THR 14 N -1.00 0.00 -1.40 5.49 -4.23 -0.54 -1.33 115.64 112.62 2aym s THR 14 Ca 0.05 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.77 2aym s THR 14 Cb -0.09 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2aym s THR 14 CO 0.03 0.00 0.05 -3.20 -0.54 0.00 0.00 174.62 170.96 2aym n ASN 15 N -1.00 -4.88 -4.87 3.99 5.15 -0.82 -1.09 115.26 111.73 2aym n ASN 15 Ca 0.03 0.06 -0.30 0.00 -0.60 0.00 0.00 54.58 53.76 2aym n ASN 15 Cb 0.63 -4.09 0.04 0.00 -0.53 0.00 0.00 39.78 35.83 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 -5.89 2.99 0.51 1.20 1.43 -0.53 -3.99 118.68 114.39 2aym s LEU 16 Ca 0.03 1.24 -0.20 0.00 -1.03 0.00 0.00 54.13 54.17 2aym s LEU 16 Cb -0.02 -4.11 -0.10 0.00 0.03 0.00 0.00 46.19 42.00 2aym s LEU 16 CO 0.04 -1.24 0.62 -2.65 0.23 0.00 0.00 176.35 173.35 2aym n PRO 17 N -2.96 0.67 0.00 1.29 -0.02 -1.26 -4.41 135.00 128.30 2aym n PRO 17 Ca 0.07 0.25 0.01 0.00 -2.02 0.00 0.00 63.50 61.81 2aym n PRO 17 Cb 0.56 -1.72 0.08 0.00 -0.02 0.00 0.00 33.50 32.41 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 0.12 0.65 -0.00 -0.52 0.28 -1.26 -2.56 120.64 117.34 2aym n GLU 18 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 2aym n GLU 18 Cb 0.44 -1.07 0.00 0.00 1.43 0.00 0.00 31.44 32.24 2aym n GLU 18 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2aym n GLU 19 N -0.57 1.15 -1.82 3.44 -0.58 -1.26 -4.81 120.64 116.20 2aym n GLU 19 Ca 0.02 -0.90 -0.38 0.00 -0.42 0.00 0.00 57.16 55.48 2aym n GLU 19 Cb 0.01 -0.70 0.04 0.00 -0.57 0.00 0.00 31.44 30.22 2aym n GLU 19 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2aym s THR 20 N -0.40 2.15 0.10 2.62 2.01 -1.06 -5.04 115.64 116.03 2aym s THR 20 Ca 0.00 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.13 2aym s THR 20 Cb 0.00 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2aym s THR 20 CO 0.00 -0.00 -0.07 0.21 -0.69 0.00 0.00 174.62 174.07 2aym s ASN 21 N -0.99 1.21 0.34 3.53 2.47 -1.26 -4.84 114.94 115.40 2aym s ASN 21 Ca 0.71 -1.01 0.10 0.00 0.42 0.00 0.00 52.86 53.08 2aym s ASN 21 Cb -0.40 0.08 0.85 0.00 -1.45 0.00 0.00 41.25 40.34 2aym s ASN 21 CO 0.47 -0.45 1.80 -0.08 -3.72 0.00 0.00 177.10 175.12 2aym h GLU 22 N 2.95 0.64 -0.41 0.43 4.81 -1.96 -1.11 114.58 119.93 2aym h GLU 22 Ca -0.35 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2aym h GLU 22 Cb 1.17 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2aym h GLU 22 CO 0.65 0.42 0.01 0.52 -0.73 0.00 0.00 179.01 179.88 2aym h MET 23 N 0.66 0.65 0.30 1.92 2.86 -1.98 -0.75 114.93 118.58 2aym h MET 23 Ca 0.54 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 58.02 2aym h MET 23 Cb 0.98 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.56 2aym h MET 23 CO -0.31 0.66 -0.14 0.52 1.06 0.00 0.00 176.91 178.69 2aym h MET 24 N 0.62 -0.39 -0.06 1.72 2.86 -1.61 -0.19 114.93 117.88 2aym h MET 24 Ca 0.13 0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.66 2aym h MET 24 Cb 0.37 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2aym h MET 24 CO 0.01 -0.13 -0.57 -0.07 1.06 0.00 0.00 176.91 177.21 2aym h LEU 25 N -0.61 0.22 -0.30 1.22 3.38 -1.53 -1.35 115.31 116.34 2aym h LEU 25 Ca -0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2aym h LEU 25 Cb 0.44 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2aym h LEU 25 CO 0.07 0.74 0.12 0.28 0.09 0.00 0.00 178.44 179.74 2aym h SER 26 N 0.15 0.41 -0.76 -0.43 0.02 -1.05 0.65 113.55 112.55 2aym h SER 26 Ca -0.00 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.83 2aym h SER 26 Cb 1.05 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.43 2aym h SER 26 CO 0.09 0.46 0.46 -0.03 -1.14 0.00 0.00 176.83 176.67 2aym h MET 27 N 0.34 0.85 0.18 3.45 1.85 -0.73 -0.04 114.93 120.83 2aym h MET 27 Ca 0.10 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.13 2aym h MET 27 Cb 0.18 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.02 2aym h MET 27 CO -0.01 0.56 -0.09 -0.07 -0.40 0.00 0.00 176.91 176.91 2aym h LEU 28 N 0.87 -0.21 0.00 3.39 3.38 -0.90 -3.37 115.31 118.48 2aym h LEU 28 Ca 0.32 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2aym h LEU 28 Cb 0.10 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2aym h LEU 28 CO -0.15 0.29 -0.84 -0.26 0.09 0.00 0.00 178.44 177.57 2aym h PHE 29 N -0.78 0.00 0.00 1.13 -1.00 -0.83 -3.26 116.94 112.20 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 0.07 0.66 0.00 -1.71 -1.61 0.00 0.00 178.31 175.72 2aym n ASN 30 N -3.19 0.00 0.09 2.17 5.15 -0.03 -1.57 115.26 117.87 2aym n ASN 30 Ca -0.01 0.49 0.12 0.00 -0.60 0.00 0.00 54.58 54.58 2aym n ASN 30 Cb 0.82 -0.50 0.60 0.00 -0.53 0.00 0.00 39.78 40.18 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 0.14 -6.46 1.20 4.20 -1.73 -3.42 115.11 109.04 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 0.16 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2aym h GLN 31 CO 0.00 0.09 0.18 -0.06 -0.67 0.00 0.00 178.83 178.37 2aym s PHE 32 N -5.16 3.86 -0.12 2.96 0.08 -0.61 -4.95 117.98 114.04 2aym s PHE 32 Ca -0.06 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.59 2aym s PHE 32 Cb 0.18 -2.79 0.00 0.00 -0.57 0.00 0.00 43.02 39.84 2aym s PHE 32 CO 0.71 0.44 0.75 -0.35 -0.10 0.00 0.00 175.22 176.67 2aym n PRO 33 N 1.97 0.79 0.00 0.24 -0.04 -1.26 -2.84 135.00 133.86 2aym n PRO 33 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2aym n PRO 33 Cb 0.49 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.55 0.90 3.57 0.55 0.00 -1.26 -5.05 105.19 104.44 2aym n GLY 34 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.38 0.00 1.61 -0.00 -1.13 -0.91 117.46 117.40 2aym n PHE 35 Ca 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 57.45 57.91 2aym n PHE 35 Cb 0.26 -2.09 0.00 0.00 -0.00 0.00 0.00 39.48 37.65 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 -0.53 0.00 -3.73 -4.13 4.81 0.02 -4.66 118.16 109.94 2aym n LYS 36 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.49 2aym n LYS 36 Cb 0.46 -0.43 -0.02 0.00 0.02 0.00 0.00 35.03 35.06 2aym n LYS 36 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2aym s GLU 37 N -1.22 1.53 0.03 1.64 2.12 -0.49 -4.96 118.70 117.35 2aym s GLU 37 Ca 0.00 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.58 2aym s GLU 37 Cb 0.00 0.56 -0.02 0.00 0.26 0.00 0.00 34.13 34.93 2aym s GLU 37 CO 0.00 -0.69 -0.10 0.08 -0.54 0.00 0.00 175.26 174.01 2aym s VAL 38 N -3.74 0.76 -0.31 3.70 1.01 -1.26 -0.65 120.40 119.91 2aym s VAL 38 Ca 0.09 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2aym s VAL 38 Cb -0.04 -0.73 0.10 0.00 0.00 0.00 0.00 36.38 35.72 2aym s VAL 38 CO 0.01 -0.12 0.12 -0.13 0.00 0.00 0.00 175.10 174.99 2aym s ARG 39 N -1.10 0.54 1.08 2.72 0.52 -0.06 -4.98 118.95 117.67 2aym s ARG 39 Ca -0.03 -0.93 -0.14 0.00 -0.52 0.00 0.00 55.73 54.11 2aym s ARG 39 Cb -0.07 -1.66 0.23 0.00 0.52 0.00 0.00 34.95 33.96 2aym s ARG 39 CO 0.01 -1.02 1.08 -1.17 0.02 0.00 0.00 175.30 174.22 2aym s LEU 40 N 1.71 1.19 -0.58 2.53 1.98 -1.26 -0.88 118.68 123.35 2aym s LEU 40 Ca 0.10 1.07 0.04 0.00 -2.89 0.00 0.00 54.13 52.45 2aym s LEU 40 Cb -0.17 -3.09 0.15 0.00 0.66 0.00 0.00 46.19 43.74 2aym s LEU 40 CO -0.27 -3.57 0.37 -0.69 -1.89 0.00 0.00 176.35 170.30 2aym s VAL 41 N -2.90 2.42 -0.11 1.68 1.01 -1.25 -4.88 120.40 116.38 2aym s VAL 41 Ca 0.67 -3.61 0.00 0.00 0.00 0.00 0.00 61.98 59.04 2aym s VAL 41 Cb -0.17 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.57 2aym s VAL 41 CO 0.58 -0.93 0.65 -0.81 0.00 0.00 0.00 175.10 174.59 2aym n PRO 42 N 2.64 0.69 0.00 2.72 -0.04 -1.26 -0.59 135.00 139.16 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 0.35 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.23 0.00 3.54 0.23 -1.26 -4.87 115.26 113.73 2aym n ASN 43 Ca 0.00 -0.56 0.00 0.00 -0.53 0.00 0.00 54.58 53.49 2aym n ASN 43 Cb 0.32 0.43 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 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 -0.43 0.12 0.00 -3.83 1.74 0.03 -5.03 116.66 109.26 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 0.03 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 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 -2.01 0.00 0.37 -1.55 8.25 0.25 -4.68 115.22 115.85 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 0.27 -0.27 0.54 0.00 1.12 0.00 0.00 29.99 31.65 2aym n HIS 45 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2aym h ASP 46 N 0.00 0.00 -4.64 0.41 3.58 -1.77 -3.40 116.42 110.59 2aym h ASP 46 Ca 0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 2aym h ASP 46 Cb 0.00 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 40.88 2aym h ASP 46 CO 0.00 0.00 -0.71 0.27 -2.88 0.00 0.00 179.24 175.92 2aym s ILE 47 N -3.40 0.66 0.35 2.25 -0.00 -1.26 -1.45 121.20 118.35 2aym s ILE 47 Ca 0.04 -1.68 -0.16 0.00 -0.00 0.00 0.00 60.65 58.84 2aym s ILE 47 Cb 0.09 -1.37 0.04 0.00 -0.00 0.00 0.00 42.46 41.22 2aym s ILE 47 CO 0.43 -0.72 0.75 0.00 -0.00 0.00 0.00 174.94 175.39 2aym s ALA 48 N -2.95 -0.76 0.09 2.27 0.00 -0.44 -3.75 121.76 116.21 2aym s ALA 48 Ca 0.05 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.38 2aym s ALA 48 Cb 0.01 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 2aym s ALA 48 CO -0.03 -0.99 -0.16 -0.06 0.00 0.00 0.00 175.76 174.53 2aym s PHE 49 N -2.79 1.37 0.04 0.00 0.40 -0.06 -0.70 117.98 116.24 2aym s PHE 49 Ca 0.15 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2aym s PHE 49 Cb -0.05 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.70 2aym s PHE 49 CO 0.11 0.11 -0.08 0.08 0.70 0.00 0.00 175.22 176.13 2aym s VAL 50 N -1.42 0.55 0.00 -0.44 1.01 -0.52 -0.88 120.40 118.70 2aym s VAL 50 Ca 0.02 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 2aym s VAL 50 Cb -0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 2aym s VAL 50 CO 0.03 -0.38 0.03 -0.70 0.00 0.00 0.00 175.10 174.08 2aym s GLU 51 N -1.57 0.27 0.20 2.72 2.12 0.18 -0.56 118.70 122.05 2aym s GLU 51 Ca -0.10 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 54.90 2aym s GLU 51 Cb -0.10 0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 2aym s GLU 51 CO 0.00 -0.05 0.03 -0.06 -0.54 0.00 0.00 175.26 174.65 2aym s PHE 52 N -0.97 1.31 0.05 5.30 0.40 0.05 -0.80 117.98 123.34 2aym s PHE 52 Ca -0.11 -1.08 -0.21 0.00 -0.60 0.00 0.00 56.93 54.93 2aym s PHE 52 Cb -0.06 -0.75 -0.13 0.00 0.51 0.00 0.00 43.02 42.58 2aym s PHE 52 CO -0.00 -0.26 1.47 1.15 0.70 0.00 0.00 175.22 178.28 2aym h THR 53 N 2.60 1.26 -3.30 0.64 2.02 -1.29 -3.45 112.91 111.38 2aym h THR 53 Ca -0.37 -0.87 -0.43 0.00 0.77 0.00 0.00 66.41 65.51 2aym h THR 53 Cb 1.22 1.56 -0.17 0.00 -1.74 0.00 0.00 68.15 69.03 2aym h THR 53 CO 0.62 0.25 -0.75 0.42 0.37 0.00 0.00 175.52 176.43 2aym s THR 54 N -4.91 1.52 0.50 3.16 -4.23 -1.26 -4.96 115.64 105.46 2aym s THR 54 Ca -0.14 -1.94 0.20 0.00 -1.18 0.00 0.00 61.69 58.62 2aym s THR 54 Cb 0.05 -1.78 0.26 0.00 1.34 0.00 0.00 72.50 72.38 2aym s THR 54 CO 0.71 -0.49 2.11 -0.33 -0.54 0.00 0.00 174.62 176.09 2aym h GLU 55 N 3.09 0.00 -0.15 3.99 3.07 -1.90 -2.00 114.58 120.69 2aym h GLU 55 Ca -0.39 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.31 2aym h GLU 55 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2aym h GLU 55 CO 0.56 0.07 -0.50 -0.07 -1.40 0.00 0.00 179.01 177.67 2aym h LEU 56 N 0.00 0.70 -0.18 1.33 4.07 -1.94 -2.08 115.31 117.21 2aym h LEU 56 Ca -0.00 -0.60 -0.17 0.00 0.08 0.00 0.00 57.88 57.19 2aym h LEU 56 Cb 0.14 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.68 2aym h LEU 56 CO 0.01 1.18 -0.55 1.56 -1.08 0.00 0.00 178.44 179.56 2aym h GLN 57 N 0.26 0.69 -0.68 1.13 4.20 -1.85 -0.92 115.11 117.93 2aym h GLN 57 Ca -0.02 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2aym h GLN 57 Cb 1.12 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 2aym h GLN 57 CO 0.11 1.12 0.44 0.66 -0.67 0.00 0.00 178.83 180.49 2aym h SER 58 N 0.38 0.79 -0.22 1.46 4.64 -1.48 -1.27 113.55 117.86 2aym h SER 58 Ca -0.02 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2aym h SER 58 Cb 1.17 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 2aym h SER 58 CO 0.12 0.58 0.05 -1.13 -0.87 0.00 0.00 176.83 175.58 2aym h ASN 59 N 0.92 0.02 -0.64 4.97 -1.24 -1.15 0.11 115.58 118.57 2aym h ASN 59 Ca 0.25 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.29 2aym h ASN 59 Cb -0.09 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 2aym h ASN 59 CO -0.05 0.04 0.40 0.00 -1.29 0.00 0.00 177.43 176.53 2aym h ALA 60 N 1.15 0.82 -0.68 1.57 0.00 -0.95 -0.87 119.26 120.30 2aym h ALA 60 Ca 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2aym h ALA 60 Cb 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2aym h ALA 60 CO -0.12 0.28 0.17 0.00 0.00 0.00 0.00 179.25 179.58 2aym h ALA 61 N 1.21 1.02 0.19 0.00 0.00 -0.87 -0.75 119.26 120.05 2aym h ALA 61 Ca 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aym h ALA 61 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2aym h ALA 61 CO -0.05 0.64 -0.16 -0.22 0.00 0.00 0.00 179.25 179.47 2aym h LYS 62 N 1.02 -0.35 -0.38 0.00 3.64 -0.34 -0.94 116.57 119.22 2aym h LYS 62 Ca 0.22 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2aym h LYS 62 Cb 0.35 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2aym h LYS 62 CO 0.00 -0.24 0.17 0.93 -2.27 0.00 0.00 179.45 178.04 2aym h GLU 63 N -0.37 0.53 -0.31 1.90 4.39 -0.88 0.05 114.58 119.89 2aym h GLU 63 Ca -0.00 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 2aym h GLU 63 Cb 0.33 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2aym h GLU 63 CO -0.02 0.43 -0.46 0.00 -1.16 0.00 0.00 179.01 177.80 2aym h ALA 64 N 1.65 0.60 -0.01 3.43 0.00 -0.80 -3.36 119.26 120.77 2aym h ALA 64 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2aym h ALA 64 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2aym h ALA 64 CO -0.02 0.68 -0.02 1.28 0.00 0.00 0.00 179.25 181.17 2aym n LEU 65 N -4.03 1.43 -4.69 0.00 4.77 -0.39 -4.92 117.00 109.19 2aym n LEU 65 Ca -0.03 -0.96 -0.45 0.00 -0.03 0.00 0.00 56.01 54.55 2aym n LEU 65 Cb 0.57 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 2aym n LEU 65 CO 0.48 0.30 1.30 0.00 -1.33 0.00 0.00 177.39 178.14 2aym n GLN 66 N 0.24 2.39 -0.96 3.23 6.02 -0.02 -1.41 117.38 126.86 2aym n GLN 66 Ca 0.04 0.87 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 2aym n GLN 66 Cb 0.16 -2.68 0.00 0.00 1.02 0.00 0.00 30.24 28.74 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 3.75 0.71 3.67 1.08 0.00 0.41 -5.01 105.19 109.81 2aym n GLY 67 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.80 2.58 -0.36 1.61 5.36 -0.50 -4.48 117.98 119.39 2aym s PHE 68 Ca 0.00 0.66 -0.28 0.00 -0.96 0.00 0.00 56.93 56.35 2aym s PHE 68 Cb 0.00 -3.72 -0.04 0.00 -0.34 0.00 0.00 43.02 38.93 2aym s PHE 68 CO 0.00 -2.76 2.04 0.15 -1.46 0.00 0.00 175.22 173.19 2aym s LYS 69 N 3.09 2.96 0.08 10.12 3.01 -1.26 -0.43 119.74 137.31 2aym s LYS 69 Ca 0.65 1.49 -0.16 0.00 -1.01 0.00 0.00 55.97 56.94 2aym s LYS 69 Cb -0.30 -4.34 -0.10 0.00 -1.01 0.00 0.00 37.83 32.07 2aym s LYS 69 CO 0.25 -2.30 1.39 0.82 0.51 0.00 0.00 175.35 176.02 2aym h ILE 70 N 7.08 1.32 -3.63 2.17 2.04 -1.61 -3.45 117.51 121.41 2aym h ILE 70 Ca -0.33 -1.43 -0.28 0.00 1.00 0.00 0.00 64.86 63.82 2aym h ILE 70 Cb 1.21 1.68 -0.15 0.00 -0.74 0.00 0.00 36.82 38.82 2aym h ILE 70 CO 1.06 0.45 -0.69 0.42 0.00 0.00 0.00 178.15 179.38 2aym s THR 71 N -4.32 0.86 0.64 -0.27 -4.23 -1.25 -5.04 115.64 102.04 2aym s THR 71 Ca -0.13 -1.99 0.21 0.00 -1.18 0.00 0.00 61.69 58.60 2aym s THR 71 Cb 0.08 -1.90 0.26 0.00 1.34 0.00 0.00 72.50 72.28 2aym s THR 71 CO 0.81 -0.69 1.58 -0.65 -0.54 0.00 0.00 174.62 175.12 2aym h PRO 72 N 2.80 0.00 0.00 3.99 0.11 -2.00 -0.76 132.00 136.14 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 -3.03 0.91 -3.50 -1.15 -2.24 -1.26 -4.86 114.28 99.15 2aym n THR 73 Ca 0.05 -0.95 -0.27 0.00 -2.27 0.00 0.00 64.05 60.61 2aym n THR 73 Cb 0.80 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.51 1.39 -1.99 4.78 8.25 -0.29 -5.04 115.22 121.82 2aym n HIS 74 Ca 0.02 -3.84 -0.42 0.00 -0.26 0.00 0.00 57.72 53.22 2aym n HIS 74 Cb 0.34 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.20 2.79 -0.31 -1.41 0.00 -1.26 -1.46 121.76 118.92 2aym s ALA 75 Ca 0.33 0.20 -0.36 0.00 0.00 0.00 0.00 51.96 52.12 2aym s ALA 75 Cb 0.07 -4.04 -0.12 0.00 0.00 0.00 0.00 23.12 19.02 2aym s ALA 75 CO -0.13 -2.76 2.07 -0.12 0.00 0.00 0.00 175.76 174.82 2aym n MET 76 N 8.50 1.19 -3.33 0.00 1.56 0.43 -4.71 117.12 120.75 2aym n MET 76 Ca 0.23 0.37 -0.35 0.00 -0.27 0.00 0.00 57.70 57.68 2aym n MET 76 Cb 0.47 -2.39 -0.06 0.00 2.15 0.00 0.00 33.22 33.40 2aym n MET 76 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2aym s LYS 77 N 5.46 3.98 0.01 2.12 1.02 -0.25 -0.44 119.74 131.64 2aym s LYS 77 Ca 1.06 0.50 0.02 0.00 0.02 0.00 0.00 55.97 57.57 2aym s LYS 77 Cb -0.90 -2.86 -0.01 0.00 -0.52 0.00 0.00 37.83 33.54 2aym s LYS 77 CO 0.53 0.43 -0.06 0.42 -0.92 0.00 0.00 175.35 175.76 2aym s ILE 78 N -1.54 0.42 0.19 2.17 1.01 -1.26 -1.47 121.20 120.71 2aym s ILE 78 Ca 0.40 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 2aym s ILE 78 Cb -0.14 -0.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 2aym s ILE 78 CO 0.20 -0.07 0.31 0.42 0.00 0.00 0.00 174.94 175.79 2aym s THR 79 N -0.55 0.04 -0.02 2.92 -4.23 0.19 -5.00 115.64 108.99 2aym s THR 79 Ca -0.02 -1.48 -0.29 0.00 -1.18 0.00 0.00 61.69 58.72 2aym s THR 79 Cb -0.05 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 2aym s THR 79 CO -0.00 -0.19 0.95 -0.36 -0.54 0.00 0.00 174.62 174.48 2aym s PHE 80 N -4.01 3.63 0.69 3.99 0.08 -0.91 -0.81 117.98 120.64 2aym s PHE 80 Ca 0.21 1.63 -0.12 0.00 0.12 0.00 0.00 56.93 58.78 2aym s PHE 80 Cb 0.03 -3.09 0.16 0.00 -0.57 0.00 0.00 43.02 39.55 2aym s PHE 80 CO 0.04 -0.03 0.93 0.00 -0.10 0.00 0.00 175.22 176.06 2aym n ALA 81 N 4.03 -1.08 -2.42 5.36 0.00 -0.27 -4.10 120.51 122.03 2aym n ALA 81 Ca 0.05 -1.21 -0.20 0.00 0.00 0.00 0.00 53.44 52.08 2aym n ALA 81 Cb 0.51 -0.06 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 2aym n ALA 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2aym s LYS 82 N -5.03 1.59 0.00 0.00 1.02 -1.26 -4.77 119.74 111.28 2aym s LYS 82 Ca 0.53 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.65 2aym s LYS 82 Cb -0.01 -0.79 0.00 0.00 -0.52 0.00 0.00 37.83 36.50 2aym s LYS 82 CO 0.37 -0.17 0.11 1.63 -0.92 0.00 0.00 175.35 176.37