#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 3.06 -0.06 0.00 -2.07 -1.26 -5.06 119.66 114.27 2aym s GLN 2 Ca 0.00 1.63 -0.27 0.00 -1.82 0.00 0.00 55.36 54.91 2aym s GLN 2 Cb 0.00 -1.96 0.06 0.00 -1.09 0.00 0.00 33.01 30.02 2aym s GLN 2 CO 0.00 -1.09 0.60 0.99 -1.32 0.00 0.00 175.29 174.47 2aym s THR 3 N -1.85 0.01 0.35 3.63 2.01 -1.26 -5.14 115.64 113.39 2aym s THR 3 Ca 0.73 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 62.38 2aym s THR 3 Cb -0.25 -0.91 -0.10 0.00 0.01 0.00 0.00 72.50 71.25 2aym s THR 3 CO 0.33 -0.05 0.97 -1.61 -0.69 0.00 0.00 174.62 173.56 2aym s GLU 4 N -1.07 4.46 0.26 4.92 2.02 -1.26 -3.72 118.70 124.32 2aym s GLU 4 Ca -0.10 1.36 -0.08 0.00 0.02 0.00 0.00 54.97 56.17 2aym s GLU 4 Cb -0.02 -2.69 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 2aym s GLU 4 CO 0.08 0.16 0.41 -0.65 0.02 0.00 0.00 175.26 175.28 2aym s GLN 5 N -2.24 1.58 0.42 1.61 -1.52 -1.26 -4.99 119.66 113.26 2aym s GLN 5 Ca 0.53 -1.47 -0.22 0.00 -1.95 0.00 0.00 55.36 52.25 2aym s GLN 5 Cb -0.19 0.42 -0.13 0.00 -0.22 0.00 0.00 33.01 32.90 2aym s GLN 5 CO 0.24 -0.64 0.46 -2.30 -0.25 0.00 0.00 175.29 172.80 2aym n PRO 6 N -0.41 0.45 -1.73 2.91 -0.02 -1.26 -4.91 135.00 130.03 2aym n PRO 6 Ca -0.00 0.17 -0.34 0.00 -2.02 0.00 0.00 63.50 61.30 2aym n PRO 6 Cb 0.63 -1.41 0.06 0.00 -0.02 0.00 0.00 33.50 32.75 2aym n PRO 6 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2aym s PRO 7 N -1.48 2.65 -0.00 0.52 0.04 -1.26 -4.98 135.00 130.49 2aym s PRO 7 Ca 0.63 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 63.18 2aym s PRO 7 Cb -0.61 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.02 2aym s PRO 7 CO 0.59 -1.40 0.14 1.21 0.04 0.00 0.00 177.00 177.58 2aym s ASN 8 N -2.19 0.00 0.00 6.66 2.47 -1.26 -4.95 114.94 115.67 2aym s ASN 8 Ca 0.71 -0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.84 2aym s ASN 8 Cb -0.25 0.22 0.00 0.00 -1.45 0.00 0.00 41.25 39.77 2aym s ASN 8 CO 0.40 -0.35 0.73 0.00 -3.72 0.00 0.00 177.10 174.16 2aym n GLN 9 N 1.57 0.74 -4.02 0.43 10.64 -1.26 -4.59 117.38 120.89 2aym n GLN 9 Ca -0.22 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.81 2aym n GLN 9 Cb 0.56 -1.01 -0.14 0.00 -0.86 0.00 0.00 30.24 28.78 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 -1.96 0.22 0.13 -0.39 1.01 -1.26 -1.31 121.20 117.64 2aym s ILE 10 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 60.65 60.55 2aym s ILE 10 Cb 0.00 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 2aym s ILE 10 CO 0.00 0.01 -0.26 -0.76 0.00 0.00 0.00 174.94 173.93 2aym s LEU 11 N -0.21 2.32 -0.04 2.97 1.43 0.13 -1.06 118.68 124.22 2aym s LEU 11 Ca -0.00 -0.74 0.06 0.00 -1.03 0.00 0.00 54.13 52.42 2aym s LEU 11 Cb -0.02 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2aym s LEU 11 CO -0.00 0.15 -0.22 0.12 0.23 0.00 0.00 176.35 176.63 2aym s PHE 12 N -1.10 2.14 0.10 0.29 5.36 -0.00 -1.39 117.98 123.38 2aym s PHE 12 Ca 0.13 -0.57 0.06 0.00 -0.96 0.00 0.00 56.93 55.59 2aym s PHE 12 Cb -0.10 -1.40 -0.03 0.00 -0.34 0.00 0.00 43.02 41.14 2aym s PHE 12 CO 0.06 -0.15 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.02 2aym s LEU 13 N -0.22 2.35 0.32 6.12 1.02 0.17 -0.89 118.68 127.56 2aym s LEU 13 Ca 0.00 -0.74 0.04 0.00 0.02 0.00 0.00 54.13 53.46 2aym s LEU 13 Cb -0.12 -0.53 -0.02 0.00 0.02 0.00 0.00 46.19 45.54 2aym s LEU 13 CO 0.02 -0.12 0.32 0.42 0.02 0.00 0.00 176.35 177.01 2aym s THR 14 N -1.81 0.00 -1.32 5.49 -4.23 -0.56 -1.37 115.64 111.84 2aym s THR 14 Ca 0.05 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2aym s THR 14 Cb -0.07 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2aym s THR 14 CO 0.03 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.91 2aym n ASN 15 N -1.42 -4.35 -4.79 3.99 5.15 -0.64 -0.89 115.26 112.31 2aym n ASN 15 Ca 0.05 0.18 -0.30 0.00 -0.60 0.00 0.00 54.58 53.91 2aym n ASN 15 Cb 0.62 -3.73 0.09 0.00 -0.53 0.00 0.00 39.78 36.24 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 -5.39 2.61 0.58 1.20 1.43 -0.36 -4.09 118.68 114.66 2aym s LEU 16 Ca 0.00 1.39 -0.18 0.00 -1.03 0.00 0.00 54.13 54.31 2aym s LEU 16 Cb 0.00 -4.00 -0.08 0.00 0.03 0.00 0.00 46.19 42.14 2aym s LEU 16 CO 0.00 -2.04 0.59 -2.65 0.23 0.00 0.00 176.35 172.48 2aym n PRO 17 N -3.48 0.56 0.00 1.29 -0.02 -1.26 -4.37 135.00 127.71 2aym n PRO 17 Ca 0.07 0.22 0.07 0.00 -2.02 0.00 0.00 63.50 61.85 2aym n PRO 17 Cb 0.56 -1.77 0.44 0.00 -0.02 0.00 0.00 33.50 32.71 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 -0.21 0.55 -0.11 -0.52 1.02 -1.26 -2.72 120.64 117.38 2aym n GLU 18 Ca 0.12 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.28 2aym n GLU 18 Cb 0.48 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.49 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 1.07 -1.71 3.49 1.02 -1.26 -4.65 120.64 117.67 2aym n GLU 19 Ca 0.11 -1.24 -0.39 0.00 -0.02 0.00 0.00 57.16 55.63 2aym n GLU 19 Cb 0.05 -0.81 0.04 0.00 -0.02 0.00 0.00 31.44 30.70 2aym n GLU 19 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2aym n THR 20 N -0.39 3.70 -4.18 2.62 -1.04 -1.10 -5.04 114.28 108.85 2aym n THR 20 Ca 0.03 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.40 2aym n THR 20 Cb 0.49 -1.55 -0.11 0.00 -1.82 0.00 0.00 70.33 67.35 2aym n THR 20 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2aym s ASN 21 N -0.94 1.42 0.32 8.00 3.84 -1.26 -4.89 114.94 121.42 2aym s ASN 21 Ca 0.71 -0.83 0.10 0.00 0.21 0.00 0.00 52.86 53.05 2aym s ASN 21 Cb -0.43 0.02 0.89 0.00 -0.55 0.00 0.00 41.25 41.17 2aym s ASN 21 CO 0.50 -0.28 1.73 -0.08 -2.79 0.00 0.00 177.10 176.17 2aym h GLU 22 N 3.50 0.56 -0.55 0.43 4.81 -1.96 -0.74 114.58 120.63 2aym h GLU 22 Ca -0.37 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.80 2aym h GLU 22 Cb 1.19 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2aym h GLU 22 CO 0.54 0.37 0.23 0.52 -0.73 0.00 0.00 179.01 179.94 2aym h MET 23 N 0.58 0.79 0.67 1.92 2.86 -1.98 -1.02 114.93 118.76 2aym h MET 23 Ca 0.65 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 58.14 2aym h MET 23 Cb 1.23 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.75 2aym h MET 23 CO -0.48 0.65 -0.32 0.52 1.06 0.00 0.00 176.91 178.34 2aym h MET 24 N 0.79 -0.87 -0.05 1.72 2.86 -1.54 -0.56 114.93 117.28 2aym h MET 24 Ca 0.19 0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.77 2aym h MET 24 Cb 0.14 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2aym h MET 24 CO -0.02 -0.58 -0.54 -0.07 1.06 0.00 0.00 176.91 176.76 2aym h LEU 25 N -0.91 0.14 -0.33 1.22 3.38 -1.59 -1.62 115.31 115.61 2aym h LEU 25 Ca -0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2aym h LEU 25 Cb 0.69 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2aym h LEU 25 CO 0.15 0.66 0.21 0.28 0.09 0.00 0.00 178.44 179.83 2aym h SER 26 N 0.10 0.39 -0.48 -0.43 0.02 -0.93 0.90 113.55 113.13 2aym h SER 26 Ca -0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2aym h SER 26 Cb 0.99 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2aym h SER 26 CO 0.08 0.31 0.28 0.24 -1.14 0.00 0.00 176.83 176.60 2aym h MET 27 N 0.43 0.66 -0.06 3.45 2.86 -0.84 -0.29 114.93 121.15 2aym h MET 27 Ca 0.12 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2aym h MET 27 Cb -0.01 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 2aym h MET 27 CO -0.02 0.50 0.01 -0.07 1.06 0.00 0.00 176.91 178.39 2aym h LEU 28 N 0.64 0.09 0.00 1.22 3.38 -0.86 -3.31 115.31 116.47 2aym h LEU 28 Ca 0.17 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 2aym h LEU 28 Cb 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2aym h LEU 28 CO -0.03 0.33 -1.07 -0.26 0.09 0.00 0.00 178.44 177.50 2aym h PHE 29 N -0.16 0.00 0.00 1.13 -1.00 -0.83 -3.31 116.94 112.78 2aym h PHE 29 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2aym h PHE 29 Cb 0.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.84 2aym h PHE 29 CO 0.02 0.63 0.00 -1.71 -1.61 0.00 0.00 178.31 175.63 2aym n ASN 30 N -3.07 0.20 -0.03 2.17 5.15 -0.12 -1.55 115.26 118.02 2aym n ASN 30 Ca -0.05 0.57 0.17 0.00 -0.60 0.00 0.00 54.58 54.67 2aym n ASN 30 Cb 0.83 -0.61 0.62 0.00 -0.53 0.00 0.00 39.78 40.09 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 -6.20 1.20 4.20 -1.68 -3.41 115.11 109.35 2aym h GLN 31 Ca 0.00 -0.01 -0.56 0.00 0.06 0.00 0.00 58.65 58.14 2aym h GLN 31 Cb 0.14 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 2aym h GLN 31 CO 0.00 0.09 0.05 -0.06 -0.67 0.00 0.00 178.83 178.24 2aym s PHE 32 N -5.15 3.74 0.00 2.96 0.08 -0.59 -4.96 117.98 114.05 2aym s PHE 32 Ca -0.06 1.33 0.00 0.00 0.12 0.00 0.00 56.93 58.32 2aym s PHE 32 Cb 0.20 -2.66 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 2aym s PHE 32 CO 0.74 0.38 0.92 -0.35 -0.10 0.00 0.00 175.22 176.81 2aym n PRO 33 N 2.49 0.76 0.00 0.24 -0.04 -1.26 -2.63 135.00 134.55 2aym n PRO 33 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 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 0.82 0.94 3.64 0.55 0.00 -1.26 -5.03 105.19 104.86 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 -0.06 1.13 0.03 1.61 7.35 -1.08 -0.30 117.46 126.14 2aym n PHE 35 Ca 0.00 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 2aym n PHE 35 Cb 0.06 -2.18 0.00 0.00 0.35 0.00 0.00 39.48 37.72 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 -1.16 0.00 -3.88 -4.13 5.02 -0.32 -4.73 118.16 108.96 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 0.47 -0.22 -0.03 0.00 -0.02 0.00 0.00 35.03 35.24 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 1.71 0.06 1.97 2.12 -0.62 -4.99 118.70 116.95 2aym s GLU 37 Ca 0.00 -1.04 0.03 0.00 0.36 0.00 0.00 54.97 54.32 2aym s GLU 37 Cb 0.00 0.57 -0.03 0.00 0.26 0.00 0.00 34.13 34.93 2aym s GLU 37 CO 0.00 -0.77 -0.09 0.08 -0.54 0.00 0.00 175.26 173.94 2aym s VAL 38 N -3.94 0.73 -0.21 3.70 1.01 -1.26 -0.65 120.40 119.78 2aym s VAL 38 Ca 0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 2aym s VAL 38 Cb -0.04 -0.94 0.08 0.00 0.00 0.00 0.00 36.38 35.47 2aym s VAL 38 CO 0.07 -0.44 0.15 -0.60 0.00 0.00 0.00 175.10 174.27 2aym s ARG 39 N -2.08 0.13 0.96 2.72 6.06 -0.04 -4.97 118.95 121.73 2aym s ARG 39 Ca -0.03 -0.07 -0.13 0.00 -2.50 0.00 0.00 55.73 52.99 2aym s ARG 39 Cb -0.07 -1.48 0.16 0.00 0.06 0.00 0.00 34.95 33.63 2aym s ARG 39 CO 0.00 -0.74 1.13 -0.51 -2.50 0.00 0.00 175.30 172.68 2aym s LEU 40 N 2.20 1.84 -0.42 -0.88 2.01 -1.26 -0.72 118.68 121.44 2aym s LEU 40 Ca 0.05 0.95 -0.06 0.00 0.01 0.00 0.00 54.13 55.08 2aym s LEU 40 Cb -0.16 -3.18 0.10 0.00 0.01 0.00 0.00 46.19 42.96 2aym s LEU 40 CO -0.16 -2.82 0.24 -0.69 1.01 0.00 0.00 176.35 173.94 2aym s VAL 41 N -3.22 3.77 -0.35 -1.59 1.01 -1.23 -4.89 120.40 113.90 2aym s VAL 41 Ca 0.65 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.87 2aym s VAL 41 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2aym s VAL 41 CO 0.54 -0.62 0.51 -0.81 0.00 0.00 0.00 175.10 174.72 2aym n PRO 42 N 4.77 0.62 0.00 2.72 -0.04 -1.26 -0.86 135.00 140.95 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 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 2aym n PRO 42 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aym n ASN 43 N 0.51 1.29 -3.06 3.54 3.02 -1.26 -4.91 115.26 114.40 2aym n ASN 43 Ca 0.00 -0.12 -0.17 0.00 -0.03 0.00 0.00 54.58 54.26 2aym n ASN 43 Cb 0.26 0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 39.89 2aym n ASN 43 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2aym n ARG 44 N -0.63 0.51 0.08 3.52 1.74 -0.04 -5.00 116.66 116.85 2aym n ARG 44 Ca 0.00 -2.61 0.05 0.00 -0.77 0.00 0.00 57.85 54.52 2aym n ARG 44 Cb 0.00 -1.47 0.28 0.00 -1.02 0.00 0.00 32.46 30.25 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 2.29 0.35 0.98 -1.55 8.25 -1.00 -2.01 115.22 122.54 2aym n HIS 45 Ca 0.21 0.18 0.10 0.00 -0.26 0.00 0.00 57.72 57.95 2aym n HIS 45 Cb 0.54 -0.77 0.52 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.85 0.00 -4.28 0.41 5.75 -1.23 -4.43 116.55 110.92 2aym n ASP 46 Ca -0.01 -0.02 -0.15 0.00 -0.01 0.00 0.00 54.79 54.60 2aym n ASP 46 Cb 0.05 -0.28 -0.10 0.00 -1.03 0.00 0.00 41.12 39.76 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 -2.56 1.27 0.29 2.12 -4.36 -0.85 -1.22 121.20 115.89 2aym s ILE 47 Ca 0.20 -2.09 -0.20 0.00 -0.26 0.00 0.00 60.65 58.30 2aym s ILE 47 Cb 0.14 -1.94 0.05 0.00 1.25 0.00 0.00 42.46 41.96 2aym s ILE 47 CO 0.31 -0.68 0.83 0.00 0.24 0.00 0.00 174.94 175.65 2aym s ALA 48 N -3.27 -1.16 0.11 2.27 0.00 -0.47 -3.54 121.76 115.69 2aym s ALA 48 Ca 0.19 -0.41 0.07 0.00 0.00 0.00 0.00 51.96 51.81 2aym s ALA 48 Cb 0.02 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 2aym s ALA 48 CO 0.03 -1.02 -0.18 -0.06 0.00 0.00 0.00 175.76 174.52 2aym s PHE 49 N -2.95 1.61 0.01 0.00 0.40 0.10 -0.66 117.98 116.49 2aym s PHE 49 Ca 0.14 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2aym s PHE 49 Cb -0.04 -0.87 -0.01 0.00 0.51 0.00 0.00 43.02 42.60 2aym s PHE 49 CO 0.08 0.18 -0.05 0.08 0.70 0.00 0.00 175.22 176.21 2aym s VAL 50 N -1.42 0.39 -0.01 -0.44 1.01 -0.49 -0.86 120.40 118.57 2aym s VAL 50 Ca 0.06 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2aym s VAL 50 Cb -0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2aym s VAL 50 CO 0.04 -0.03 -0.21 -0.70 0.00 0.00 0.00 175.10 174.20 2aym s GLU 51 N -0.48 1.66 0.14 2.72 2.12 0.18 -0.69 118.70 124.34 2aym s GLU 51 Ca -0.02 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.57 2aym s GLU 51 Cb -0.04 -1.61 -0.04 0.00 0.26 0.00 0.00 34.13 32.70 2aym s GLU 51 CO -0.00 0.44 0.02 -0.06 -0.54 0.00 0.00 175.26 175.12 2aym s PHE 52 N -0.50 0.98 0.06 5.30 0.40 -0.42 -1.18 117.98 122.62 2aym s PHE 52 Ca 0.08 -1.11 -0.22 0.00 -0.60 0.00 0.00 56.93 55.08 2aym s PHE 52 Cb -0.08 -0.56 -0.13 0.00 0.51 0.00 0.00 43.02 42.75 2aym s PHE 52 CO -0.01 -0.35 1.53 1.15 0.70 0.00 0.00 175.22 178.25 2aym h THR 53 N 2.83 1.21 -3.81 0.64 2.02 -0.91 -3.45 112.91 111.43 2aym h THR 53 Ca -0.36 -0.64 -0.16 0.00 0.77 0.00 0.00 66.41 66.03 2aym h THR 53 Cb 1.19 1.43 -0.21 0.00 -1.74 0.00 0.00 68.15 68.83 2aym h THR 53 CO 0.62 0.18 -0.62 0.42 0.37 0.00 0.00 175.52 176.49 2aym s THR 54 N -5.23 0.10 0.27 3.16 -4.23 -1.26 -4.98 115.64 103.47 2aym s THR 54 Ca -0.14 -0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 59.46 2aym s THR 54 Cb 0.05 -0.38 0.23 0.00 1.34 0.00 0.00 72.50 73.75 2aym s THR 54 CO 0.70 -0.47 1.91 -0.33 -0.54 0.00 0.00 174.62 175.88 2aym h GLU 55 N 4.43 1.16 -0.12 3.99 3.07 -1.90 -0.86 114.58 124.34 2aym h GLU 55 Ca -0.32 -0.11 -0.18 0.00 -0.50 0.00 0.00 59.36 58.26 2aym h GLU 55 Cb 1.20 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.87 2aym h GLU 55 CO 0.42 0.81 -0.66 -0.07 -1.40 0.00 0.00 179.01 178.11 2aym h LEU 56 N 1.17 0.56 -0.39 1.33 -0.00 -1.94 0.03 115.31 116.07 2aym h LEU 56 Ca 0.31 -0.34 -0.17 0.00 -0.00 0.00 0.00 57.88 57.67 2aym h LEU 56 Cb -0.04 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 40.45 2aym h LEU 56 CO -0.06 1.07 -0.53 1.56 -0.00 0.00 0.00 178.44 180.48 2aym h GLN 57 N 0.35 0.76 -0.53 1.13 4.20 -1.87 -0.48 115.11 118.67 2aym h GLN 57 Ca -0.02 -0.47 0.06 0.00 0.06 0.00 0.00 58.65 58.28 2aym h GLN 57 Cb 1.22 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 29.00 2aym h GLN 57 CO 0.12 1.10 0.24 0.77 -0.67 0.00 0.00 178.83 180.39 2aym h SER 58 N 0.59 0.32 -0.17 1.46 0.02 -1.04 -0.31 113.55 114.42 2aym h SER 58 Ca 0.02 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2aym h SER 58 Cb 1.12 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 2aym h SER 58 CO 0.11 0.21 0.11 -1.13 -1.14 0.00 0.00 176.83 175.00 2aym h ASN 59 N 0.46 0.19 -0.73 3.07 -1.24 -0.72 -0.09 115.58 116.53 2aym h ASN 59 Ca 0.25 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.24 2aym h ASN 59 Cb 0.21 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 2aym h ASN 59 CO -0.20 0.14 0.42 0.00 -1.29 0.00 0.00 177.43 176.50 2aym h ALA 60 N 1.06 0.93 -0.62 1.57 0.00 -0.68 0.18 119.26 121.70 2aym h ALA 60 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2aym h ALA 60 Cb -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2aym h ALA 60 CO -0.01 0.42 0.22 0.00 0.00 0.00 0.00 179.25 179.87 2aym h ALA 61 N 1.22 0.81 0.19 0.00 0.00 -0.87 -0.67 119.26 119.93 2aym h ALA 61 Ca 0.26 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2aym h ALA 61 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2aym h ALA 61 CO -0.05 0.45 -0.22 -0.22 0.00 0.00 0.00 179.25 179.22 2aym h LYS 62 N 0.88 -0.44 -0.31 0.00 3.64 -0.45 -1.03 116.57 118.85 2aym h LYS 62 Ca 0.20 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2aym h LYS 62 Cb 0.25 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2aym h LYS 62 CO -0.01 -0.30 0.06 0.93 -2.27 0.00 0.00 179.45 177.86 2aym h GLU 63 N -0.46 0.46 -0.39 1.90 4.39 -0.75 0.50 114.58 120.23 2aym h GLU 63 Ca 0.01 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.47 2aym h GLU 63 Cb 0.44 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2aym h GLU 63 CO -0.07 0.44 -0.38 0.00 -1.16 0.00 0.00 179.01 177.85 2aym h ALA 64 N 1.62 0.59 -0.01 3.43 0.00 -0.83 -3.36 119.26 120.70 2aym h ALA 64 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2aym h ALA 64 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2aym h ALA 64 CO -0.00 0.68 -0.05 1.28 0.00 0.00 0.00 179.25 181.16 2aym n LEU 65 N -4.06 1.65 -4.69 0.00 4.77 -0.42 -4.90 117.00 109.36 2aym n LEU 65 Ca -0.02 -0.94 -0.45 0.00 -0.03 0.00 0.00 56.01 54.58 2aym n LEU 65 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2aym n LEU 65 CO 0.48 0.32 1.34 0.00 -1.33 0.00 0.00 177.39 178.20 2aym n GLN 66 N 0.34 2.45 -1.00 3.23 6.02 0.14 -1.32 117.38 127.23 2aym n GLN 66 Ca 0.05 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.93 2aym n GLN 66 Cb 0.23 -2.71 0.00 0.00 1.02 0.00 0.00 30.24 28.78 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 3.86 0.44 3.68 1.08 0.00 0.11 -5.01 105.19 109.35 2aym n GLY 67 Ca 0.18 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 -1.93 2.86 -0.32 1.61 5.36 -0.44 -4.53 117.98 120.59 2aym s PHE 68 Ca 0.00 0.92 -0.28 0.00 -0.96 0.00 0.00 56.93 56.61 2aym s PHE 68 Cb 0.00 -3.58 -0.03 0.00 -0.34 0.00 0.00 43.02 39.07 2aym s PHE 68 CO 0.00 -2.07 2.02 0.15 -1.46 0.00 0.00 175.22 173.86 2aym s LYS 69 N 2.78 3.10 0.04 10.12 3.01 -1.26 -0.69 119.74 136.84 2aym s LYS 69 Ca 0.60 1.60 -0.20 0.00 -1.01 0.00 0.00 55.97 56.96 2aym s LYS 69 Cb -0.27 -4.31 -0.15 0.00 -1.01 0.00 0.00 37.83 32.09 2aym s LYS 69 CO 0.22 -2.14 1.31 0.82 0.51 0.00 0.00 175.35 176.07 2aym h ILE 70 N 7.02 1.36 -3.50 2.17 2.04 -1.52 -3.46 117.51 121.63 2aym h ILE 70 Ca -0.35 -1.46 -0.32 0.00 1.00 0.00 0.00 64.86 63.73 2aym h ILE 70 Cb 1.20 1.97 -0.15 0.00 -0.74 0.00 0.00 36.82 39.11 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 -4.11 0.96 0.65 -0.27 -4.23 -1.25 -5.03 115.64 102.36 2aym s THR 71 Ca -0.14 -2.02 0.21 0.00 -1.18 0.00 0.00 61.69 58.56 2aym s THR 71 Cb 0.05 -2.05 0.24 0.00 1.34 0.00 0.00 72.50 72.08 2aym s THR 71 CO 0.77 -0.57 1.61 -0.65 -0.54 0.00 0.00 174.62 175.25 2aym h PRO 72 N 2.68 0.00 0.00 3.99 0.11 -2.00 -0.53 132.00 136.25 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 -2.94 1.08 -3.36 -1.15 -2.24 -1.26 -4.84 114.28 99.56 2aym n THR 73 Ca 0.02 -1.13 -0.26 0.00 -2.27 0.00 0.00 64.05 60.41 2aym n THR 73 Cb 0.70 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.61 0.85 -2.01 4.78 8.25 -0.21 -5.02 115.22 121.25 2aym n HIS 74 Ca 0.02 -3.73 -0.42 0.00 -0.26 0.00 0.00 57.72 53.34 2aym n HIS 74 Cb 0.32 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.26 2.69 0.32 -1.41 0.00 -1.26 -1.18 121.76 119.66 2aym s ALA 75 Ca 0.35 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 2aym s ALA 75 Cb 0.12 -4.08 -0.12 0.00 0.00 0.00 0.00 23.12 19.04 2aym s ALA 75 CO -0.11 -2.94 1.47 0.00 0.00 0.00 0.00 175.76 174.18 2aym n MET 76 N 8.59 2.47 -3.95 0.00 0.00 0.14 -4.73 117.12 119.64 2aym n MET 76 Ca 0.22 0.87 -0.35 0.00 0.00 0.00 0.00 57.70 58.45 2aym n MET 76 Cb 0.48 -2.58 -0.06 0.00 0.00 0.00 0.00 33.22 31.06 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 -1.25 3.35 -0.01 3.17 1.02 -0.06 -0.71 119.74 125.26 2aym s LYS 77 Ca 0.60 -0.29 0.03 0.00 0.02 0.00 0.00 55.97 56.33 2aym s LYS 77 Cb -0.53 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 33.70 2aym s LYS 77 CO 0.56 0.71 -0.09 0.42 -0.92 0.00 0.00 175.35 176.03 2aym s ILE 78 N -1.18 0.67 0.11 2.17 1.01 -1.26 -1.49 121.20 121.23 2aym s ILE 78 Ca 0.22 -0.37 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 2aym s ILE 78 Cb -0.12 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 2aym s ILE 78 CO 0.12 0.19 0.16 0.42 0.00 0.00 0.00 174.94 175.82 2aym s THR 79 N -0.21 0.13 0.23 2.92 -4.23 -0.06 -4.95 115.64 109.47 2aym s THR 79 Ca 0.03 -1.48 -0.30 0.00 -1.18 0.00 0.00 61.69 58.77 2aym s THR 79 Cb -0.03 -1.64 -0.09 0.00 1.34 0.00 0.00 72.50 72.07 2aym s THR 79 CO -0.00 -0.57 1.07 -0.36 -0.54 0.00 0.00 174.62 174.22 2aym s PHE 80 N -3.94 3.66 0.58 3.99 0.08 -1.24 -0.82 117.98 120.28 2aym s PHE 80 Ca 0.12 1.70 -0.18 0.00 0.12 0.00 0.00 56.93 58.70 2aym s PHE 80 Cb 0.05 -3.23 -0.04 0.00 -0.57 0.00 0.00 43.02 39.24 2aym s PHE 80 CO -0.05 -0.39 1.11 0.00 -0.10 0.00 0.00 175.22 175.79 2aym s ALA 81 N -0.83 2.64 -0.49 5.36 0.00 -0.23 -4.42 121.76 123.79 2aym s ALA 81 Ca 0.46 0.68 0.04 0.00 0.00 0.00 0.00 51.96 53.13 2aym s ALA 81 Cb -0.30 -3.33 0.13 0.00 0.00 0.00 0.00 23.12 19.62 2aym s ALA 81 CO 0.37 -0.91 0.23 0.15 0.00 0.00 0.00 175.76 175.61 2aym s LYS 82 N -3.62 1.87 0.00 0.00 1.02 -1.26 -4.83 119.74 112.92 2aym s LYS 82 Ca 0.70 -2.50 0.00 0.00 0.02 0.00 0.00 55.97 54.19 2aym s LYS 82 Cb -0.21 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 2aym s LYS 82 CO 0.32 -1.09 0.37 1.63 -0.92 0.00 0.00 175.35 175.66