#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 3.52 0.03 0.00 -0.21 -1.26 -5.05 119.66 116.70 2aym s GLN 2 Ca 0.00 2.10 -0.08 0.00 0.02 0.00 0.00 55.36 57.40 2aym s GLN 2 Cb 0.00 -2.43 -0.00 0.00 1.00 0.00 0.00 33.01 31.58 2aym s GLN 2 CO 0.00 -0.84 0.16 0.95 -2.12 0.00 0.00 175.29 173.44 2aym s THR 3 N -1.36 0.11 -0.15 -0.19 -4.23 -1.26 -5.15 115.64 103.42 2aym s THR 3 Ca 0.65 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 60.20 2aym s THR 3 Cb -0.37 -0.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 2aym s THR 3 CO 0.45 -0.50 0.04 -1.61 -0.54 0.00 0.00 174.62 172.46 2aym s GLU 4 N -2.41 3.65 0.18 3.99 2.02 -1.26 -3.85 118.70 121.01 2aym s GLU 4 Ca -0.06 -0.36 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 2aym s GLU 4 Cb -0.02 -3.07 -0.00 0.00 0.10 0.00 0.00 34.13 31.14 2aym s GLU 4 CO -0.03 0.42 0.35 -0.65 0.02 0.00 0.00 175.26 175.37 2aym s GLN 5 N -0.07 1.23 0.78 1.61 -1.52 -1.26 -5.05 119.66 115.38 2aym s GLN 5 Ca 0.06 -1.11 -0.15 0.00 -1.95 0.00 0.00 55.36 52.20 2aym s GLN 5 Cb -0.12 0.42 -0.02 0.00 -0.22 0.00 0.00 33.01 33.06 2aym s GLN 5 CO 0.01 -0.47 0.47 -2.30 -0.25 0.00 0.00 175.29 172.75 2aym n PRO 6 N -0.25 0.16 -1.55 2.91 -0.02 -1.26 -4.88 135.00 130.10 2aym n PRO 6 Ca -0.08 0.10 -0.45 0.00 -2.02 0.00 0.00 63.50 61.05 2aym n PRO 6 Cb 0.63 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.27 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 -0.88 1.09 -3.84 0.52 -0.02 -1.26 -4.96 135.00 125.65 2aym n PRO 7 Ca 0.09 0.38 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 2aym n PRO 7 Cb 0.51 -1.69 -0.08 0.00 -0.02 0.00 0.00 33.50 32.22 2aym n PRO 7 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2aym s ASN 8 N -0.65 0.04 -0.00 2.55 4.22 -1.26 -4.94 114.94 114.90 2aym s ASN 8 Ca 0.60 -0.41 0.00 0.00 -2.14 0.00 0.00 52.86 50.91 2aym s ASN 8 Cb -0.74 0.30 0.00 0.00 1.28 0.00 0.00 41.25 42.09 2aym s ASN 8 CO 0.59 -0.59 0.92 0.00 -2.04 0.00 0.00 177.10 175.98 2aym n GLN 9 N 0.56 1.01 -3.78 3.55 10.64 -1.26 -4.64 117.38 123.46 2aym n GLN 9 Ca -0.18 -0.01 -0.17 0.00 -1.83 0.00 0.00 57.00 54.81 2aym n GLN 9 Cb 0.59 -1.08 -0.16 0.00 -0.86 0.00 0.00 30.24 28.73 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 -1.83 -0.02 0.14 -0.39 1.01 -1.26 -1.00 121.20 117.85 2aym s ILE 10 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.93 2aym s ILE 10 Cb 0.00 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.29 2aym s ILE 10 CO 0.00 0.12 0.14 -0.76 0.00 0.00 0.00 174.94 174.44 2aym s LEU 11 N 1.32 3.86 -0.09 2.97 2.01 0.37 -1.11 118.68 128.01 2aym s LEU 11 Ca -0.06 -0.07 0.01 0.00 0.01 0.00 0.00 54.13 54.02 2aym s LEU 11 Cb -0.13 -2.48 -0.02 0.00 0.01 0.00 0.00 46.19 43.57 2aym s LEU 11 CO -0.03 0.09 -0.12 0.12 1.01 0.00 0.00 176.35 177.42 2aym s PHE 12 N -1.68 2.81 0.10 0.29 5.36 -0.00 -1.40 117.98 123.46 2aym s PHE 12 Ca 0.31 -0.31 0.07 0.00 -0.96 0.00 0.00 56.93 56.03 2aym s PHE 12 Cb -0.11 -1.75 -0.03 0.00 -0.34 0.00 0.00 43.02 40.79 2aym s PHE 12 CO 0.24 0.05 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.36 2aym s LEU 13 N -0.26 2.31 0.29 6.12 1.02 0.23 -0.68 118.68 127.71 2aym s LEU 13 Ca 0.02 -0.68 0.01 0.00 0.02 0.00 0.00 54.13 53.50 2aym s LEU 13 Cb -0.13 -0.69 -0.02 0.00 0.02 0.00 0.00 46.19 45.37 2aym s LEU 13 CO 0.03 -0.03 0.31 0.42 0.02 0.00 0.00 176.35 177.10 2aym s THR 14 N -1.38 0.00 -1.19 5.49 -4.23 -0.54 -1.36 115.64 112.43 2aym s THR 14 Ca 0.04 -1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 2aym s THR 14 Cb -0.09 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.24 2aym s THR 14 CO 0.03 0.00 0.06 -3.20 -0.54 0.00 0.00 174.62 170.97 2aym n ASN 15 N -1.08 -4.25 -4.81 3.99 5.15 -0.65 -1.23 115.26 112.38 2aym n ASN 15 Ca 0.04 0.11 -0.31 0.00 -0.60 0.00 0.00 54.58 53.82 2aym n ASN 15 Cb 0.63 -3.58 0.07 0.00 -0.53 0.00 0.00 39.78 36.36 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 -5.77 2.97 0.51 1.20 1.43 -0.35 -4.08 118.68 114.59 2aym s LEU 16 Ca 0.04 1.56 -0.21 0.00 -1.03 0.00 0.00 54.13 54.50 2aym s LEU 16 Cb -0.02 -4.35 -0.09 0.00 0.03 0.00 0.00 46.19 41.76 2aym s LEU 16 CO 0.05 -1.66 0.74 -2.65 0.23 0.00 0.00 176.35 173.06 2aym n PRO 17 N -3.26 0.81 0.00 1.29 -0.02 -1.26 -4.35 135.00 128.21 2aym n PRO 17 Ca 0.08 0.30 0.07 0.00 -2.02 0.00 0.00 63.50 61.93 2aym n PRO 17 Cb 0.54 -1.84 0.41 0.00 -0.02 0.00 0.00 33.50 32.59 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 -0.06 0.51 -0.02 -0.52 1.02 -1.26 -2.45 120.64 117.87 2aym n GLU 18 Ca 0.11 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.26 2aym n GLU 18 Cb 0.44 -1.42 0.01 0.00 -0.02 0.00 0.00 31.44 30.45 2aym n GLU 18 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2aym n GLU 19 N -0.92 1.85 -1.79 3.49 1.02 -1.26 -4.67 120.64 118.36 2aym n GLU 19 Ca 0.10 -1.23 -0.37 0.00 -0.02 0.00 0.00 57.16 55.64 2aym n GLU 19 Cb 0.05 -0.85 0.06 0.00 -0.02 0.00 0.00 31.44 30.67 2aym n GLU 19 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2aym s THR 20 N -0.76 2.13 0.27 2.62 2.01 -1.02 -5.06 115.64 115.84 2aym s THR 20 Ca 0.02 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.12 2aym s THR 20 Cb 0.02 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 2aym s THR 20 CO 0.00 -0.01 0.13 0.54 -0.69 0.00 0.00 174.62 174.59 2aym s ASN 21 N -1.28 1.23 0.30 3.53 4.22 -1.26 -4.88 114.94 116.80 2aym s ASN 21 Ca 0.79 -1.47 -0.01 0.00 -2.14 0.00 0.00 52.86 50.02 2aym s ASN 21 Cb -0.37 0.30 0.47 0.00 1.28 0.00 0.00 41.25 42.93 2aym s ASN 21 CO 0.41 -0.82 1.97 -0.33 -2.04 0.00 0.00 177.10 176.29 2aym h GLU 22 N 2.33 1.06 -0.91 3.55 5.08 -1.97 -2.88 114.58 120.84 2aym h GLU 22 Ca -0.36 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2aym h GLU 22 Cb 1.25 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 2aym h GLU 22 CO 0.55 0.70 0.52 1.98 -1.00 0.00 0.00 179.01 181.77 2aym h MET 23 N 1.09 1.25 0.48 2.33 4.05 -1.97 0.65 114.93 122.82 2aym h MET 23 Ca 0.30 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 2aym h MET 23 Cb -0.10 -0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 30.44 2aym h MET 23 CO -0.07 0.89 -0.29 0.52 0.23 0.00 0.00 176.91 178.20 2aym h MET 24 N 1.26 -0.70 0.00 0.39 2.86 -1.93 -0.07 114.93 116.75 2aym h MET 24 Ca 0.32 0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.90 2aym h MET 24 Cb -0.01 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 2aym h MET 24 CO -0.06 -0.47 -0.51 -0.07 1.06 0.00 0.00 176.91 176.86 2aym h LEU 25 N -0.73 0.00 -0.37 1.22 3.38 -1.58 -1.47 115.31 115.76 2aym h LEU 25 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2aym h LEU 25 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2aym h LEU 25 CO 0.06 0.51 0.17 0.28 0.09 0.00 0.00 178.44 179.55 2aym h SER 26 N 0.00 0.49 -0.90 -0.43 0.02 -0.60 0.11 113.55 112.24 2aym h SER 26 Ca -0.01 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2aym h SER 26 Cb 0.95 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 2aym h SER 26 CO 0.07 0.49 0.59 -0.03 -1.14 0.00 0.00 176.83 176.82 2aym h MET 27 N 0.45 1.19 0.13 3.45 1.85 -0.62 0.14 114.93 121.53 2aym h MET 27 Ca 0.12 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 59.13 2aym h MET 27 Cb 0.14 -0.27 0.00 0.00 0.43 0.00 0.00 31.60 31.91 2aym h MET 27 CO -0.01 0.79 -0.06 -0.07 -0.40 0.00 0.00 176.91 177.15 2aym h LEU 28 N 1.22 -0.15 0.00 3.39 3.38 -0.84 -3.37 115.31 118.94 2aym h LEU 28 Ca 0.33 -0.33 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2aym h LEU 28 Cb -0.14 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2aym h LEU 28 CO -0.07 0.28 -0.99 -0.26 0.09 0.00 0.00 178.44 177.49 2aym h PHE 29 N -0.63 0.00 0.00 1.13 -1.00 -0.73 -3.29 116.94 112.42 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 0.48 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.04 2aym h PHE 29 CO 0.06 0.66 0.00 -1.71 -1.61 0.00 0.00 178.31 175.71 2aym n ASN 30 N -3.12 0.22 0.07 2.17 5.15 0.03 -1.54 115.26 118.23 2aym n ASN 30 Ca -0.04 0.57 0.14 0.00 -0.60 0.00 0.00 54.58 54.66 2aym n ASN 30 Cb 0.83 -0.61 0.63 0.00 -0.53 0.00 0.00 39.78 40.10 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 0.10 -6.23 1.20 4.20 -1.74 -3.41 115.11 109.23 2aym h GLN 31 Ca 0.00 -0.01 -0.55 0.00 0.06 0.00 0.00 58.65 58.15 2aym h GLN 31 Cb 0.15 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 2aym h GLN 31 CO 0.00 0.07 0.10 -0.06 -0.67 0.00 0.00 178.83 178.26 2aym s PHE 32 N -5.12 3.73 0.00 2.96 0.08 -0.59 -4.96 117.98 114.08 2aym s PHE 32 Ca -0.06 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.38 2aym s PHE 32 Cb 0.19 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 2aym s PHE 32 CO 0.72 0.31 1.23 -0.35 -0.10 0.00 0.00 175.22 177.03 2aym n PRO 33 N 2.72 0.79 0.00 0.24 -0.04 -1.26 -2.73 135.00 134.71 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 0.50 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 1.16 1.00 3.62 0.55 0.00 -1.26 -5.03 105.19 105.23 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 0.81 0.01 1.61 -0.00 -1.11 -0.18 117.46 118.61 2aym n PHE 35 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 57.45 57.87 2aym n PHE 35 Cb 0.06 -2.13 0.00 0.00 -0.00 0.00 0.00 39.48 37.41 2aym n PHE 35 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2aym n LYS 36 N -1.26 0.00 -3.76 -4.13 5.02 -0.03 -4.71 118.16 109.29 2aym n LYS 36 Ca 0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.34 2aym n LYS 36 Cb 0.48 -0.19 -0.03 0.00 -0.02 0.00 0.00 35.03 35.27 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 1.49 0.04 1.97 2.12 -0.62 -4.99 118.70 116.70 2aym s GLU 37 Ca 0.00 -0.89 0.04 0.00 0.36 0.00 0.00 54.97 54.49 2aym s GLU 37 Cb 0.00 0.55 -0.02 0.00 0.26 0.00 0.00 34.13 34.92 2aym s GLU 37 CO 0.00 -0.65 -0.13 0.08 -0.54 0.00 0.00 175.26 174.02 2aym s VAL 38 N -3.88 0.98 -0.33 3.70 1.01 -1.26 -0.69 120.40 119.93 2aym s VAL 38 Ca 0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2aym s VAL 38 Cb -0.02 -0.90 0.12 0.00 0.00 0.00 0.00 36.38 35.57 2aym s VAL 38 CO -0.00 -0.04 0.16 -0.13 0.00 0.00 0.00 175.10 175.09 2aym s ARG 39 N -1.12 0.51 1.03 2.72 0.52 0.16 -4.93 118.95 117.84 2aym s ARG 39 Ca 0.00 -1.05 -0.12 0.00 -0.52 0.00 0.00 55.73 54.04 2aym s ARG 39 Cb -0.08 -1.46 0.20 0.00 0.52 0.00 0.00 34.95 34.13 2aym s ARG 39 CO 0.01 -1.10 1.08 -0.51 0.02 0.00 0.00 175.30 174.81 2aym s LEU 40 N 1.48 1.47 -0.43 2.53 2.01 -1.26 -0.98 118.68 123.49 2aym s LEU 40 Ca 0.13 1.22 -0.07 0.00 0.01 0.00 0.00 54.13 55.42 2aym s LEU 40 Cb -0.20 -3.36 0.10 0.00 0.01 0.00 0.00 46.19 42.75 2aym s LEU 40 CO -0.18 -3.31 0.27 -0.69 1.01 0.00 0.00 176.35 173.46 2aym s VAL 41 N -2.90 3.94 -0.53 -1.59 1.01 -1.22 -4.89 120.40 114.22 2aym s VAL 41 Ca 0.66 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2aym s VAL 41 Cb -0.19 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2aym s VAL 41 CO 0.59 -0.65 0.48 -0.81 0.00 0.00 0.00 175.10 174.70 2aym n PRO 42 N 4.82 0.65 0.00 2.72 -0.04 -1.26 -0.90 135.00 140.99 2aym n PRO 42 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2aym n PRO 42 Cb 0.42 -1.25 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 0.41 0.03 -3.09 3.54 0.23 -1.26 -4.90 115.26 110.21 2aym n ASN 43 Ca 0.00 -0.21 -0.19 0.00 -0.53 0.00 0.00 54.58 53.65 2aym n ASN 43 Cb 0.24 0.18 -0.04 0.00 -2.08 0.00 0.00 39.78 38.08 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 0.60 0.08 -3.83 1.74 -0.08 -4.99 116.66 109.99 2aym n ARG 44 Ca 0.00 -2.76 0.05 0.00 -0.77 0.00 0.00 57.85 54.37 2aym n ARG 44 Cb 0.02 -1.39 0.25 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.31 0.91 -1.55 8.25 -0.95 -1.85 115.22 122.24 2aym n HIS 45 Ca 0.20 0.16 0.10 0.00 -0.26 0.00 0.00 57.72 57.92 2aym n HIS 45 Cb 0.55 -0.71 0.49 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.80 0.00 -4.27 0.41 5.75 -1.25 -4.47 116.55 110.91 2aym n ASP 46 Ca -0.01 0.08 -0.15 0.00 -0.01 0.00 0.00 54.79 54.70 2aym n ASP 46 Cb 0.08 -0.32 -0.10 0.00 -1.03 0.00 0.00 41.12 39.75 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 -2.64 1.27 0.28 2.12 -4.36 -0.77 -1.21 121.20 115.89 2aym s ILE 47 Ca 0.18 -2.09 -0.19 0.00 -0.26 0.00 0.00 60.65 58.28 2aym s ILE 47 Cb 0.13 -1.92 0.06 0.00 1.25 0.00 0.00 42.46 41.98 2aym s ILE 47 CO 0.32 -0.69 0.90 0.00 0.24 0.00 0.00 174.94 175.71 2aym s ALA 48 N -3.26 -1.18 0.08 2.27 0.00 -0.47 -3.44 121.76 115.76 2aym s ALA 48 Ca 0.19 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.71 2aym s ALA 48 Cb 0.02 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 2aym s ALA 48 CO 0.02 -1.03 -0.15 -0.06 0.00 0.00 0.00 175.76 174.54 2aym s PHE 49 N -2.41 1.33 0.01 0.00 0.40 -0.16 -0.60 117.98 116.55 2aym s PHE 49 Ca 0.18 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 2aym s PHE 49 Cb -0.04 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.74 2aym s PHE 49 CO 0.08 0.09 -0.07 0.08 0.70 0.00 0.00 175.22 176.10 2aym s VAL 50 N -1.27 0.51 -0.01 -0.44 1.01 -0.49 -0.67 120.40 119.04 2aym s VAL 50 Ca -0.00 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2aym s VAL 50 Cb -0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 2aym s VAL 50 CO 0.03 0.02 -0.13 -0.70 0.00 0.00 0.00 175.10 174.32 2aym s GLU 51 N -0.48 1.04 0.22 2.72 2.12 0.14 -0.48 118.70 123.98 2aym s GLU 51 Ca -0.00 -0.48 0.02 0.00 0.36 0.00 0.00 54.97 54.87 2aym s GLU 51 Cb -0.04 -1.01 -0.05 0.00 0.26 0.00 0.00 34.13 33.29 2aym s GLU 51 CO -0.00 0.28 0.03 -0.06 -0.54 0.00 0.00 175.26 174.96 2aym s PHE 52 N -0.33 1.44 0.04 5.30 0.40 -0.17 -0.85 117.98 123.80 2aym s PHE 52 Ca 0.05 -1.03 -0.19 0.00 -0.60 0.00 0.00 56.93 55.16 2aym s PHE 52 Cb -0.05 -0.84 -0.15 0.00 0.51 0.00 0.00 43.02 42.49 2aym s PHE 52 CO -0.00 -0.18 1.30 1.15 0.70 0.00 0.00 175.22 178.19 2aym h THR 53 N 2.52 1.36 -3.75 0.64 2.02 -0.83 -3.45 112.91 111.41 2aym h THR 53 Ca -0.38 -1.51 -0.19 0.00 0.77 0.00 0.00 66.41 65.11 2aym h THR 53 Cb 1.22 1.99 -0.24 0.00 -1.74 0.00 0.00 68.15 69.39 2aym h THR 53 CO 0.63 0.45 -0.65 0.42 0.37 0.00 0.00 175.52 176.74 2aym s THR 54 N -4.05 0.06 0.45 3.16 -4.23 -1.26 -5.00 115.64 104.77 2aym s THR 54 Ca -0.14 -0.49 0.11 0.00 -1.18 0.00 0.00 61.69 60.00 2aym s THR 54 Cb 0.05 -0.21 0.26 0.00 1.34 0.00 0.00 72.50 73.94 2aym s THR 54 CO 0.78 -0.27 2.08 -0.33 -0.54 0.00 0.00 174.62 176.34 2aym h GLU 55 N 5.20 0.29 -0.26 3.99 3.07 -1.91 -0.85 114.58 124.11 2aym h GLU 55 Ca -0.29 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.42 2aym h GLU 55 Cb 1.21 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 2aym h GLU 55 CO 0.44 0.22 -0.37 -0.07 -1.40 0.00 0.00 179.01 177.82 2aym h LEU 56 N 0.30 0.63 0.15 1.33 4.07 -1.93 -2.01 115.31 117.84 2aym h LEU 56 Ca 0.08 -0.27 -0.30 0.00 0.08 0.00 0.00 57.88 57.47 2aym h LEU 56 Cb 0.01 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 41.58 2aym h LEU 56 CO -0.01 0.94 -1.39 1.56 -1.08 0.00 0.00 178.44 178.46 2aym h GLN 57 N 0.50 0.32 -0.71 1.13 4.20 -1.60 -0.97 115.11 117.98 2aym h GLN 57 Ca 0.05 -0.55 -0.01 0.00 0.06 0.00 0.00 58.65 58.20 2aym h GLN 57 Cb 0.88 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 2aym h GLN 57 CO 0.08 1.24 0.40 0.66 -0.67 0.00 0.00 178.83 180.54 2aym h SER 58 N 0.09 0.88 -0.33 1.46 4.64 -1.38 -0.66 113.55 118.25 2aym h SER 58 Ca -0.20 -0.08 0.04 0.00 -0.47 0.00 0.00 61.79 61.08 2aym h SER 58 Cb 2.03 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.86 2aym h SER 58 CO 0.21 0.71 0.09 -1.13 -0.87 0.00 0.00 176.83 175.83 2aym h ASN 59 N 0.98 0.07 -0.63 4.97 -1.24 -1.30 0.10 115.58 118.54 2aym h ASN 59 Ca 0.25 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.30 2aym h ASN 59 Cb 0.01 0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2aym h ASN 59 CO -0.04 0.08 0.39 0.00 -1.29 0.00 0.00 177.43 176.56 2aym h ALA 60 N 1.22 0.80 -0.65 1.57 0.00 -0.81 -0.38 119.26 121.01 2aym h ALA 60 Ca 0.15 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2aym h ALA 60 Cb 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2aym h ALA 60 CO -0.18 0.27 0.10 0.00 0.00 0.00 0.00 179.25 179.44 2aym h ALA 61 N 1.20 0.87 0.11 0.00 0.00 -0.79 -0.88 119.26 119.77 2aym h ALA 61 Ca 0.23 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2aym h ALA 61 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2aym h ALA 61 CO -0.04 0.64 -0.16 -0.22 0.00 0.00 0.00 179.25 179.47 2aym h LYS 62 N 1.00 -0.30 -0.84 0.00 3.11 -0.42 -0.67 116.57 118.45 2aym h LYS 62 Ca 0.20 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 58.08 2aym h LYS 62 Cb 0.44 0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 31.70 2aym h LYS 62 CO 0.01 -0.20 0.55 0.93 -2.81 0.00 0.00 179.45 177.93 2aym h GLU 63 N -0.32 1.05 -0.16 1.90 4.39 -0.83 -0.50 114.58 120.12 2aym h GLU 63 Ca 0.02 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.46 2aym h GLU 63 Cb 0.32 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2aym h GLU 63 CO -0.07 0.69 -0.68 0.00 -1.16 0.00 0.00 179.01 177.79 2aym h ALA 64 N 1.50 0.51 -0.01 3.43 0.00 -0.80 -3.37 119.26 120.52 2aym h ALA 64 Ca 0.32 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2aym h ALA 64 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2aym h ALA 64 CO -0.09 0.71 -0.07 1.28 0.00 0.00 0.00 179.25 181.09 2aym n LEU 65 N -3.92 1.19 -4.68 0.00 4.77 -0.29 -4.90 117.00 109.17 2aym n LEU 65 Ca -0.05 -0.87 -0.45 0.00 -0.03 0.00 0.00 56.01 54.61 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 0.25 1.26 0.00 -1.33 0.00 0.00 177.39 178.07 2aym n GLN 66 N -0.04 2.33 -0.94 3.23 6.02 -0.21 -1.57 117.38 126.19 2aym n GLN 66 Ca 0.03 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 2aym n GLN 66 Cb 0.14 -2.64 0.00 0.00 1.02 0.00 0.00 30.24 28.76 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 3.63 0.75 3.67 1.08 0.00 0.41 -5.00 105.19 109.73 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 -2.93 2.65 -0.32 1.61 5.36 -0.61 -4.51 117.98 119.23 2aym s PHE 68 Ca 0.00 0.77 -0.28 0.00 -0.96 0.00 0.00 56.93 56.46 2aym s PHE 68 Cb 0.00 -3.64 -0.04 0.00 -0.34 0.00 0.00 43.02 39.00 2aym s PHE 68 CO 0.00 -2.41 2.04 0.15 -1.46 0.00 0.00 175.22 173.54 2aym s LYS 69 N 3.26 3.08 0.05 10.12 3.01 -1.26 -0.43 119.74 137.57 2aym s LYS 69 Ca 0.62 1.62 -0.19 0.00 -1.01 0.00 0.00 55.97 57.00 2aym s LYS 69 Cb -0.27 -4.32 -0.15 0.00 -1.01 0.00 0.00 37.83 32.08 2aym s LYS 69 CO 0.22 -2.16 1.31 0.82 0.51 0.00 0.00 175.35 176.05 2aym h ILE 70 N 7.05 1.36 -3.66 2.17 2.04 -1.55 -3.46 117.51 121.46 2aym h ILE 70 Ca -0.35 -1.49 -0.29 0.00 1.00 0.00 0.00 64.86 63.73 2aym h ILE 70 Cb 1.21 1.95 -0.15 0.00 -0.74 0.00 0.00 36.82 39.09 2aym h ILE 70 CO 1.03 0.44 -0.68 0.42 0.00 0.00 0.00 178.15 179.36 2aym s THR 71 N -4.10 0.81 0.65 -0.27 -4.23 -1.25 -5.03 115.64 102.22 2aym s THR 71 Ca -0.14 -1.99 0.20 0.00 -1.18 0.00 0.00 61.69 58.58 2aym s THR 71 Cb 0.06 -2.01 0.21 0.00 1.34 0.00 0.00 72.50 72.09 2aym s THR 71 CO 0.78 -0.58 1.58 -0.65 -0.54 0.00 0.00 174.62 175.21 2aym h PRO 72 N 2.73 0.00 0.00 3.99 0.11 -2.00 -0.60 132.00 136.23 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 0.63 0.00 -0.00 0.25 -0.21 0.00 0.00 178.00 178.67 2aym n THR 73 N -2.86 1.03 -3.37 -1.15 -2.24 -1.26 -4.85 114.28 99.58 2aym n THR 73 Ca 0.01 -1.06 -0.26 0.00 -2.27 0.00 0.00 64.05 60.47 2aym n THR 73 Cb 0.68 0.46 -0.08 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.56 1.02 -1.93 4.78 8.25 -0.23 -5.03 115.22 121.52 2aym n HIS 74 Ca 0.01 -3.76 -0.41 0.00 -0.26 0.00 0.00 57.72 53.30 2aym n HIS 74 Cb 0.29 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 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 2.54 -0.19 -1.41 0.00 -1.26 -1.26 121.76 118.85 2aym s ALA 75 Ca 0.35 0.03 -0.39 0.00 0.00 0.00 0.00 51.96 51.95 2aym s ALA 75 Cb 0.12 -4.13 -0.16 0.00 0.00 0.00 0.00 23.12 18.94 2aym s ALA 75 CO -0.11 -3.18 1.65 -0.12 0.00 0.00 0.00 175.76 174.00 2aym n MET 76 N 8.72 1.16 -3.96 0.00 1.56 0.43 -4.74 117.12 120.29 2aym n MET 76 Ca 0.24 0.42 -0.34 0.00 -0.27 0.00 0.00 57.70 57.75 2aym n MET 76 Cb 0.49 -2.10 -0.06 0.00 2.15 0.00 0.00 33.22 33.70 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 2.79 3.34 0.02 2.12 1.02 -0.36 -0.44 119.74 128.22 2aym s LYS 77 Ca 0.95 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.65 2aym s LYS 77 Cb -1.04 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 33.20 2aym s LYS 77 CO 0.61 0.70 -0.06 0.42 -0.92 0.00 0.00 175.35 176.10 2aym s ILE 78 N -1.19 0.41 0.03 2.17 1.01 -1.26 -1.46 121.20 120.91 2aym s ILE 78 Ca 0.22 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 2aym s ILE 78 Cb -0.12 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 41.94 2aym s ILE 78 CO 0.12 -0.13 0.22 0.42 0.00 0.00 0.00 174.94 175.58 2aym s THR 79 N -0.70 0.09 0.04 2.92 -4.23 0.14 -4.99 115.64 108.92 2aym s THR 79 Ca -0.04 -0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 59.39 2aym s THR 79 Cb -0.06 -0.83 -0.07 0.00 1.34 0.00 0.00 72.50 72.88 2aym s THR 79 CO 0.00 -0.43 1.57 -0.36 -0.54 0.00 0.00 174.62 174.86 2aym s PHE 80 N -2.28 2.55 0.00 3.99 0.08 -1.25 -0.82 117.98 120.24 2aym s PHE 80 Ca -0.07 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.46 2aym s PHE 80 Cb -0.02 -3.87 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 2aym s PHE 80 CO -0.02 -3.41 0.00 0.00 -0.10 0.00 0.00 175.22 171.69 2aym n ALA 81 N 5.58 0.00 -2.36 5.36 0.00 -0.27 -4.50 120.51 124.31 2aym n ALA 81 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 2aym n ALA 81 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.91 1.08 0.00 0.00 1.02 -1.26 -4.84 119.74 112.82 2aym s LYS 82 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.59 2aym s LYS 82 Cb 0.00 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.61 2aym s LYS 82 CO 0.00 -0.35 0.08 1.63 -0.92 0.00 0.00 175.35 175.79