#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 -0.44 -0.47 0.00 -2.07 -1.26 -5.03 119.66 110.40 2aym s GLN 2 Ca 0.00 0.47 0.08 0.00 -1.82 0.00 0.00 55.36 54.09 2aym s GLN 2 Cb 0.00 -1.64 0.27 0.00 -1.09 0.00 0.00 33.01 30.55 2aym s GLN 2 CO 0.00 -3.30 0.65 0.25 -1.32 0.00 0.00 175.29 171.57 2aym n THR 3 N -4.57 0.52 -1.43 3.63 -2.24 -1.26 -5.10 114.28 103.83 2aym n THR 3 Ca 0.06 -4.56 -0.35 0.00 -2.27 0.00 0.00 64.05 56.93 2aym n THR 3 Cb 0.57 -1.68 0.10 0.00 -2.10 0.00 0.00 70.33 67.21 2aym n THR 3 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2aym s GLU 4 N -1.92 2.12 0.26 -0.78 2.02 -1.26 -4.63 118.70 114.50 2aym s GLU 4 Ca 0.38 1.84 -0.07 0.00 0.02 0.00 0.00 54.97 57.14 2aym s GLU 4 Cb 0.20 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.60 2aym s GLU 4 CO -0.08 -1.87 0.39 -0.65 0.02 0.00 0.00 175.26 173.06 2aym s GLN 5 N -3.82 1.54 0.60 1.61 -1.52 -1.26 -5.00 119.66 111.81 2aym s GLN 5 Ca 0.76 -1.47 -0.18 0.00 -1.95 0.00 0.00 55.36 52.53 2aym s GLN 5 Cb -0.31 0.41 -0.09 0.00 -0.22 0.00 0.00 33.01 32.80 2aym s GLN 5 CO 0.45 -0.61 0.42 -2.30 -0.25 0.00 0.00 175.29 172.99 2aym n PRO 6 N -0.40 0.39 -1.52 2.91 -0.02 -1.26 -4.89 135.00 130.21 2aym n PRO 6 Ca -0.00 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 2aym n PRO 6 Cb 0.63 -1.63 0.02 0.00 -0.02 0.00 0.00 33.50 32.50 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 0.06 0.85 -3.85 0.52 -0.02 -1.26 -4.97 135.00 126.32 2aym n PRO 7 Ca 0.11 0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 2aym n PRO 7 Cb 0.48 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 32.09 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 -0.94 -0.00 0.00 2.55 2.47 -1.26 -4.96 114.94 112.79 2aym s ASN 8 Ca 0.65 -0.17 0.07 0.00 0.42 0.00 0.00 52.86 53.83 2aym s ASN 8 Cb -0.55 0.22 0.44 0.00 -1.45 0.00 0.00 41.25 39.91 2aym s ASN 8 CO 0.56 -0.39 1.09 0.00 -3.72 0.00 0.00 177.10 174.64 2aym n GLN 9 N 1.40 0.77 -4.42 0.43 10.64 -1.26 -4.65 117.38 120.28 2aym n GLN 9 Ca -0.23 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.75 2aym n GLN 9 Cb 0.56 -1.15 -0.14 0.00 -0.86 0.00 0.00 30.24 28.64 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 0.86 0.09 -0.39 1.01 -1.26 -1.02 121.20 118.49 2aym s ILE 10 Ca 0.11 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.29 2aym s ILE 10 Cb 0.05 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2aym s ILE 10 CO 0.09 0.18 -0.21 -0.76 0.00 0.00 0.00 174.94 174.23 2aym s LEU 11 N -0.42 2.26 -0.07 2.97 1.43 0.15 -1.04 118.68 123.96 2aym s LEU 11 Ca 0.03 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.52 2aym s LEU 11 Cb -0.05 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 2aym s LEU 11 CO -0.00 0.09 -0.18 0.12 0.23 0.00 0.00 176.35 176.61 2aym s PHE 12 N -1.06 2.63 0.05 0.29 5.36 0.21 -1.39 117.98 124.08 2aym s PHE 12 Ca 0.07 -0.47 0.06 0.00 -0.96 0.00 0.00 56.93 55.63 2aym s PHE 12 Cb -0.10 -1.67 -0.02 0.00 -0.34 0.00 0.00 43.02 40.89 2aym s PHE 12 CO 0.04 -0.05 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.07 2aym s LEU 13 N -0.28 2.19 0.28 6.12 1.02 0.03 -0.42 118.68 127.62 2aym s LEU 13 Ca 0.01 -0.51 -0.01 0.00 0.02 0.00 0.00 54.13 53.64 2aym s LEU 13 Cb -0.13 -0.76 -0.02 0.00 0.02 0.00 0.00 46.19 45.30 2aym s LEU 13 CO 0.03 0.07 0.31 0.42 0.02 0.00 0.00 176.35 177.20 2aym s THR 14 N -0.88 0.00 -1.54 5.49 -4.23 -0.41 -1.24 115.64 112.83 2aym s THR 14 Ca 0.04 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 2aym s THR 14 Cb -0.08 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.27 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 -0.89 -4.63 -4.83 3.99 5.15 -0.81 -1.22 115.26 112.03 2aym n ASN 15 Ca 0.03 0.22 -0.30 0.00 -0.60 0.00 0.00 54.58 53.93 2aym n ASN 15 Cb 0.63 -4.01 0.08 0.00 -0.53 0.00 0.00 39.78 35.95 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 -5.14 2.71 0.52 1.20 1.43 -0.38 -4.03 118.68 114.98 2aym s LEU 16 Ca 0.00 1.27 -0.20 0.00 -1.03 0.00 0.00 54.13 54.17 2aym s LEU 16 Cb 0.00 -3.95 -0.10 0.00 0.03 0.00 0.00 46.19 42.17 2aym s LEU 16 CO 0.00 -1.77 0.60 -2.65 0.23 0.00 0.00 176.35 172.76 2aym n PRO 17 N -3.30 0.63 0.00 1.29 -0.02 -1.26 -4.39 135.00 127.95 2aym n PRO 17 Ca 0.07 0.24 0.01 0.00 -2.02 0.00 0.00 63.50 61.80 2aym n PRO 17 Cb 0.56 -1.70 0.09 0.00 -0.02 0.00 0.00 33.50 32.43 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 0.11 0.61 -0.10 -0.52 1.02 -1.26 -2.59 120.64 117.92 2aym n GLU 18 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2aym n GLU 18 Cb 0.45 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.57 0.41 -1.69 3.49 1.02 -1.26 -4.72 120.64 117.31 2aym n GLU 19 Ca 0.02 -0.79 -0.40 0.00 -0.02 0.00 0.00 57.16 55.98 2aym n GLU 19 Cb 0.01 -0.60 0.03 0.00 -0.02 0.00 0.00 31.44 30.86 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 -0.11 3.02 -4.14 2.62 -1.04 -1.07 -5.03 114.28 108.53 2aym n THR 20 Ca 0.01 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.40 2aym n THR 20 Cb 0.51 -1.50 -0.11 0.00 -1.82 0.00 0.00 70.33 67.41 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 -0.74 1.10 0.35 8.00 2.47 -1.26 -4.82 114.94 120.05 2aym s ASN 21 Ca 0.66 -0.82 0.07 0.00 0.42 0.00 0.00 52.86 53.19 2aym s ASN 21 Cb -0.48 0.06 0.77 0.00 -1.45 0.00 0.00 41.25 40.16 2aym s ASN 21 CO 0.54 -0.34 1.90 -0.08 -3.72 0.00 0.00 177.10 175.40 2aym h GLU 22 N 3.57 0.72 -0.80 0.43 4.81 -1.95 -0.95 114.58 120.41 2aym h GLU 22 Ca -0.36 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2aym h GLU 22 Cb 1.18 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2aym h GLU 22 CO 0.55 0.47 0.46 0.52 -0.73 0.00 0.00 179.01 180.28 2aym h MET 23 N 0.74 1.10 0.53 1.92 2.86 -1.97 -0.06 114.93 120.05 2aym h MET 23 Ca 0.40 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 2aym h MET 23 Cb 0.53 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 2aym h MET 23 CO -0.17 0.79 -0.29 0.52 1.06 0.00 0.00 176.91 178.83 2aym h MET 24 N 1.10 -0.73 -0.03 1.72 2.86 -1.59 -1.16 114.93 117.10 2aym h MET 24 Ca 0.28 0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.87 2aym h MET 24 Cb -0.00 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2aym h MET 24 CO -0.05 -0.49 -0.47 -0.07 1.06 0.00 0.00 176.91 176.89 2aym h LEU 25 N -0.76 0.08 0.04 1.22 3.38 -1.43 -1.09 115.31 116.75 2aym h LEU 25 Ca -0.07 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2aym h LEU 25 Cb 0.60 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2aym h LEU 25 CO 0.09 0.54 -0.09 0.28 0.09 0.00 0.00 178.44 179.35 2aym h SER 26 N 0.06 -0.26 -0.35 -0.43 0.02 -0.77 0.14 113.55 111.95 2aym h SER 26 Ca 0.00 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2aym h SER 26 Cb 0.86 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2aym h SER 26 CO 0.06 -0.14 0.14 0.24 -1.14 0.00 0.00 176.83 175.99 2aym h MET 27 N -0.18 0.60 0.16 3.45 2.86 -0.60 0.16 114.93 121.38 2aym h MET 27 Ca 0.02 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2aym h MET 27 Cb 0.21 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2aym h MET 27 CO -0.07 0.52 -0.08 -0.07 1.06 0.00 0.00 176.91 178.28 2aym h LEU 28 N 0.59 -0.18 0.00 1.22 3.38 -0.86 -3.37 115.31 116.09 2aym h LEU 28 Ca 0.14 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2aym h LEU 28 Cb 0.17 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2aym h LEU 28 CO -0.01 0.25 -1.09 -0.26 0.09 0.00 0.00 178.44 177.42 2aym h PHE 29 N -0.66 0.00 0.00 1.13 -1.00 -0.83 -3.34 116.94 112.25 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 0.37 0.00 0.27 -1.61 0.00 0.00 178.31 177.40 2aym n ASN 30 N -2.89 0.04 0.02 2.17 0.23 0.56 -1.52 115.26 113.87 2aym n ASN 30 Ca -0.04 0.51 0.05 0.00 -0.53 0.00 0.00 54.58 54.57 2aym n ASN 30 Cb 0.72 -0.52 0.46 0.00 -2.08 0.00 0.00 39.78 38.36 2aym n ASN 30 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 2aym h GLN 31 N 0.00 0.46 -6.60 -3.83 4.20 -1.75 -3.43 115.11 104.16 2aym h GLN 31 Ca 0.00 -0.03 -0.51 0.00 0.06 0.00 0.00 58.65 58.17 2aym h GLN 31 Cb 0.12 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2aym h GLN 31 CO 0.00 0.30 0.32 -0.06 -0.67 0.00 0.00 178.83 178.72 2aym s PHE 32 N -5.43 3.87 -0.53 2.96 0.08 -0.58 -4.94 117.98 113.42 2aym s PHE 32 Ca -0.08 1.79 0.00 0.00 0.12 0.00 0.00 56.93 58.77 2aym s PHE 32 Cb 0.18 -2.98 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 2aym s PHE 32 CO 0.73 0.32 0.50 -0.35 -0.10 0.00 0.00 175.22 176.32 2aym n PRO 33 N 2.27 0.68 0.00 0.24 -0.04 -1.26 -2.52 135.00 134.36 2aym n PRO 33 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2aym n PRO 33 Cb 0.49 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.40 0.99 3.70 0.55 0.00 -1.26 -5.03 105.19 104.53 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 -0.01 1.80 0.00 1.61 -0.00 -1.05 -0.41 117.46 119.40 2aym n PHE 35 Ca 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 57.45 57.89 2aym n PHE 35 Cb 0.08 -2.28 0.00 0.00 -0.00 0.00 0.00 39.48 37.29 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 -1.19 0.00 -3.83 -4.13 5.02 -0.33 -4.75 118.16 108.95 2aym n LYS 36 Ca 0.13 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.35 2aym n LYS 36 Cb 0.46 -0.27 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 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 1.88 0.04 1.97 2.12 -0.64 -5.02 118.70 117.06 2aym s GLU 37 Ca 0.00 -1.14 -0.17 0.00 0.36 0.00 0.00 54.97 54.03 2aym s GLU 37 Cb 0.00 0.58 0.03 0.00 0.26 0.00 0.00 34.13 35.00 2aym s GLU 37 CO 0.00 -0.87 0.37 0.54 -0.54 0.00 0.00 175.26 174.76 2aym s VAL 38 N -3.02 0.06 0.01 3.70 0.11 -1.26 -0.64 120.40 119.37 2aym s VAL 38 Ca 0.14 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 2aym s VAL 38 Cb -0.05 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2aym s VAL 38 CO 0.08 -0.29 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.38 2aym s ARG 39 N -2.48 0.39 0.41 1.54 3.00 0.32 -4.99 118.95 117.15 2aym s ARG 39 Ca -0.05 -0.37 0.07 0.00 0.00 0.00 0.00 55.73 55.38 2aym s ARG 39 Cb -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 34.95 34.62 2aym s ARG 39 CO -0.03 0.07 0.25 -0.51 0.00 0.00 0.00 175.30 175.08 2aym s LEU 40 N -0.65 3.22 -0.67 2.53 2.01 -1.26 -1.17 118.68 122.68 2aym s LEU 40 Ca -0.03 -0.96 -0.07 0.00 0.01 0.00 0.00 54.13 53.08 2aym s LEU 40 Cb -0.05 -1.66 0.18 0.00 0.01 0.00 0.00 46.19 44.66 2aym s LEU 40 CO -0.00 -0.58 0.53 -0.69 1.01 0.00 0.00 176.35 176.62 2aym s VAL 41 N -2.55 4.32 -0.38 -1.59 1.01 -1.24 -4.95 120.40 115.01 2aym s VAL 41 Ca 0.44 -2.72 0.00 0.00 0.00 0.00 0.00 61.98 59.70 2aym s VAL 41 Cb 0.01 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2aym s VAL 41 CO 0.24 -0.91 0.54 -0.81 0.00 0.00 0.00 175.10 174.16 2aym n PRO 42 N 3.74 0.67 0.00 2.72 -0.04 -1.26 -0.51 135.00 140.32 2aym n PRO 42 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2aym n PRO 42 Cb 0.41 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.48 0.37 0.00 3.54 0.23 -1.26 -4.91 115.26 113.71 2aym n ASN 43 Ca 0.00 -0.89 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 2aym n ASN 43 Cb 0.27 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 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 -0.06 0.00 0.00 -3.83 1.74 0.02 -5.04 116.66 109.48 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 0.12 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 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 -1.97 0.00 1.19 -1.55 8.25 0.33 -4.70 115.22 116.77 2aym n HIS 45 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 2aym n HIS 45 Cb 0.15 -0.29 0.61 0.00 1.12 0.00 0.00 29.99 31.59 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 -4.14 0.41 5.75 -1.21 -4.42 116.55 112.94 2aym n ASP 46 Ca 0.00 -0.22 -0.13 0.00 -0.01 0.00 0.00 54.79 54.43 2aym n ASP 46 Cb 0.00 -0.21 -0.11 0.00 -1.03 0.00 0.00 41.12 39.77 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 -2.43 0.76 0.30 2.12 -0.00 -1.26 -1.25 121.20 119.44 2aym s ILE 47 Ca 0.25 -1.55 -0.16 0.00 -0.00 0.00 0.00 60.65 59.19 2aym s ILE 47 Cb 0.16 -1.23 0.02 0.00 -0.00 0.00 0.00 42.46 41.41 2aym s ILE 47 CO 0.33 -0.59 0.64 0.00 -0.00 0.00 0.00 174.94 175.33 2aym s ALA 48 N -2.44 -0.64 -0.01 2.27 0.00 -0.37 -3.74 121.76 116.84 2aym s ALA 48 Ca 0.03 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.33 2aym s ALA 48 Cb -0.03 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 2aym s ALA 48 CO -0.01 -0.95 -0.11 -0.06 0.00 0.00 0.00 175.76 174.63 2aym s PHE 49 N -3.50 0.97 0.06 0.00 0.40 -0.32 -0.79 117.98 114.81 2aym s PHE 49 Ca 0.17 -0.19 0.06 0.00 -0.60 0.00 0.00 56.93 56.37 2aym s PHE 49 Cb -0.04 -0.63 -0.03 0.00 0.51 0.00 0.00 43.02 42.84 2aym s PHE 49 CO 0.10 -0.02 -0.15 0.08 0.70 0.00 0.00 175.22 175.92 2aym s VAL 50 N -0.23 1.23 0.00 -0.44 1.01 -0.48 -0.52 120.40 120.96 2aym s VAL 50 Ca 0.04 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.82 2aym s VAL 50 Cb -0.04 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 2aym s VAL 50 CO -0.00 -0.08 -0.02 -0.70 0.00 0.00 0.00 175.10 174.29 2aym s GLU 51 N -1.48 0.17 0.18 2.72 2.12 0.19 -0.67 118.70 121.93 2aym s GLU 51 Ca 0.01 -0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.25 2aym s GLU 51 Cb -0.09 -0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.11 2aym s GLU 51 CO 0.02 0.04 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.71 2aym s PHE 52 N -0.16 1.29 0.09 5.30 0.40 -0.19 -1.19 117.98 123.52 2aym s PHE 52 Ca -0.00 -0.98 -0.21 0.00 -0.60 0.00 0.00 56.93 55.13 2aym s PHE 52 Cb -0.01 -0.73 -0.11 0.00 0.51 0.00 0.00 43.02 42.67 2aym s PHE 52 CO -0.00 -0.15 1.65 1.15 0.70 0.00 0.00 175.22 178.57 2aym h THR 53 N 2.65 1.12 -3.66 0.64 2.02 -1.02 -3.46 112.91 111.21 2aym h THR 53 Ca -0.37 -0.34 -0.16 0.00 0.77 0.00 0.00 66.41 66.31 2aym h THR 53 Cb 1.21 1.12 -0.21 0.00 -1.74 0.00 0.00 68.15 68.53 2aym h THR 53 CO 0.63 0.11 -0.57 0.42 0.37 0.00 0.00 175.52 176.48 2aym s THR 54 N -5.72 0.09 0.38 3.16 -4.23 -1.26 -5.00 115.64 103.05 2aym s THR 54 Ca -0.14 -0.71 0.06 0.00 -1.18 0.00 0.00 61.69 59.73 2aym s THR 54 Cb 0.07 -0.36 0.22 0.00 1.34 0.00 0.00 72.50 73.77 2aym s THR 54 CO 0.69 -0.39 1.99 -0.33 -0.54 0.00 0.00 174.62 176.04 2aym h GLU 55 N 4.53 0.54 -0.45 3.99 3.07 -1.90 -1.34 114.58 123.01 2aym h GLU 55 Ca -0.31 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.39 2aym h GLU 55 Cb 1.20 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.99 2aym h GLU 55 CO 0.41 0.44 -0.11 -0.07 -1.40 0.00 0.00 179.01 178.28 2aym h LEU 56 N 0.54 0.81 0.19 1.33 4.07 -1.95 -0.97 115.31 119.34 2aym h LEU 56 Ca 0.14 -0.25 -0.31 0.00 0.08 0.00 0.00 57.88 57.53 2aym h LEU 56 Cb 0.09 -0.22 0.03 0.00 1.08 0.00 0.00 40.66 41.65 2aym h LEU 56 CO -0.02 0.94 -1.35 1.56 -1.08 0.00 0.00 178.44 178.50 2aym h GLN 57 N 0.74 0.57 -0.87 1.13 4.20 -1.70 -1.16 115.11 118.02 2aym h GLN 57 Ca 0.12 -0.87 0.00 0.00 0.06 0.00 0.00 58.65 57.97 2aym h GLN 57 Cb 0.60 0.31 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 2aym h GLN 57 CO 0.04 1.41 0.56 0.66 -0.67 0.00 0.00 178.83 180.83 2aym h SER 58 N 0.17 1.02 -0.05 1.46 4.64 -1.33 -0.91 113.55 118.56 2aym h SER 58 Ca -0.22 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.07 2aym h SER 58 Cb 2.04 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.85 2aym h SER 58 CO 0.26 0.75 -0.04 -1.13 -0.87 0.00 0.00 176.83 175.80 2aym h ASN 59 N 1.19 -0.14 -0.76 4.97 -1.24 -1.10 0.16 115.58 118.67 2aym h ASN 59 Ca 0.32 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.33 2aym h ASN 59 Cb -0.11 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 38.98 2aym h ASN 59 CO -0.07 -0.06 0.37 0.00 -1.29 0.00 0.00 177.43 176.38 2aym h ALA 60 N 0.99 0.98 -0.62 1.57 0.00 -0.97 0.17 119.26 121.38 2aym h ALA 60 Ca 0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2aym h ALA 60 Cb 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2aym h ALA 60 CO -0.09 0.54 0.18 0.00 0.00 0.00 0.00 179.25 179.88 2aym h ALA 61 N 1.19 0.82 0.03 0.00 0.00 -0.92 -0.64 119.26 119.73 2aym h ALA 61 Ca 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2aym h ALA 61 Cb 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2aym h ALA 61 CO -0.03 0.50 -0.02 -0.22 0.00 0.00 0.00 179.25 179.48 2aym h LYS 62 N 0.90 -0.04 -0.41 0.00 3.11 -0.26 -0.73 116.57 119.14 2aym h LYS 62 Ca 0.20 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.02 2aym h LYS 62 Cb 0.31 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 2aym h LYS 62 CO -0.00 -0.02 0.15 0.93 -2.81 0.00 0.00 179.45 177.70 2aym h GLU 63 N -0.06 0.58 -0.31 1.90 4.39 -0.76 0.42 114.58 120.73 2aym h GLU 63 Ca -0.00 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.45 2aym h GLU 63 Cb 0.04 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2aym h GLU 63 CO 0.01 0.49 -0.48 0.00 -1.16 0.00 0.00 179.01 177.87 2aym h ALA 64 N 1.60 0.47 -0.01 3.43 0.00 -0.77 -3.37 119.26 120.62 2aym h ALA 64 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2aym h ALA 64 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2aym h ALA 64 CO -0.01 0.64 -0.29 1.28 0.00 0.00 0.00 179.25 180.87 2aym n LEU 65 N -4.06 1.07 -4.69 0.00 4.77 -0.31 -4.88 117.00 108.90 2aym n LEU 65 Ca -0.04 -0.70 -0.42 0.00 -0.03 0.00 0.00 56.01 54.82 2aym n LEU 65 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2aym n LEU 65 CO 0.49 0.22 1.42 -1.58 -1.33 0.00 0.00 177.39 176.61 2aym s GLN 66 N -1.57 4.16 0.00 3.23 0.74 0.11 -1.02 119.66 125.32 2aym s GLN 66 Ca 0.08 2.47 0.00 0.00 0.05 0.00 0.00 55.36 57.96 2aym s GLN 66 Cb 0.08 -3.65 0.00 0.00 1.10 0.00 0.00 33.01 30.54 2aym s GLN 66 CO 0.31 -0.80 0.00 0.41 -0.55 0.00 0.00 175.29 174.66 2aym n GLY 67 N 4.15 0.88 3.68 2.59 0.00 0.40 -5.01 105.19 111.87 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 2.37 -0.33 1.61 5.36 -0.19 -4.46 117.98 119.54 2aym s PHE 68 Ca 0.00 0.41 -0.28 0.00 -0.96 0.00 0.00 56.93 56.11 2aym s PHE 68 Cb 0.00 -3.86 -0.04 0.00 -0.34 0.00 0.00 43.02 38.79 2aym s PHE 68 CO 0.00 -3.45 2.02 0.15 -1.46 0.00 0.00 175.22 172.49 2aym s LYS 69 N 3.14 3.06 0.08 10.12 3.01 -1.26 -0.37 119.74 137.52 2aym s LYS 69 Ca 0.71 1.57 -0.17 0.00 -1.01 0.00 0.00 55.97 57.07 2aym s LYS 69 Cb -0.35 -4.32 -0.11 0.00 -1.01 0.00 0.00 37.83 32.05 2aym s LYS 69 CO 0.29 -2.18 1.39 0.82 0.51 0.00 0.00 175.35 176.18 2aym h ILE 70 N 7.04 1.32 -3.64 2.17 2.04 -1.60 -3.45 117.51 121.39 2aym h ILE 70 Ca -0.35 -1.41 -0.28 0.00 1.00 0.00 0.00 64.86 63.82 2aym h ILE 70 Cb 1.20 1.70 -0.15 0.00 -0.74 0.00 0.00 36.82 38.84 2aym h ILE 70 CO 1.04 0.44 -0.69 0.42 0.00 0.00 0.00 178.15 179.35 2aym s THR 71 N -4.32 0.86 0.64 -0.27 -4.23 -1.25 -5.03 115.64 102.04 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 0.07 -1.89 0.25 0.00 1.34 0.00 0.00 72.50 72.28 2aym s THR 71 CO 0.80 -0.70 1.58 -0.65 -0.54 0.00 0.00 174.62 175.12 2aym h PRO 72 N 2.81 0.00 0.00 3.99 0.11 -2.00 -0.77 132.00 136.14 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 -3.01 0.88 -3.52 -1.15 -2.24 -1.26 -4.86 114.28 99.12 2aym n THR 73 Ca 0.04 -0.91 -0.27 0.00 -2.27 0.00 0.00 64.05 60.65 2aym n THR 73 Cb 0.77 0.53 -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 -0.48 1.16 -1.98 4.78 8.25 -0.29 -5.03 115.22 121.62 2aym n HIS 74 Ca 0.01 -3.79 -0.43 0.00 -0.26 0.00 0.00 57.72 53.25 2aym n HIS 74 Cb 0.33 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.02 3.18 -0.47 -1.41 0.00 -1.26 -1.41 121.76 119.38 2aym s ALA 75 Ca 0.32 0.58 -0.33 0.00 0.00 0.00 0.00 51.96 52.53 2aym s ALA 75 Cb 0.05 -3.90 -0.12 0.00 0.00 0.00 0.00 23.12 19.15 2aym s ALA 75 CO -0.15 -2.11 2.31 -0.12 0.00 0.00 0.00 175.76 175.69 2aym n MET 76 N 7.90 0.93 -3.19 0.00 1.56 0.50 -4.66 117.12 120.16 2aym n MET 76 Ca 0.21 0.20 -0.37 0.00 -0.27 0.00 0.00 57.70 57.47 2aym n MET 76 Cb 0.45 -2.53 -0.06 0.00 2.15 0.00 0.00 33.22 33.23 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 7.03 4.22 -0.00 2.12 2.20 -0.35 -0.46 119.74 134.50 2aym s LYS 77 Ca 1.11 0.79 0.02 0.00 -0.36 0.00 0.00 55.97 57.53 2aym s LYS 77 Cb -0.77 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 2aym s LYS 77 CO 0.44 0.50 -0.05 0.42 -0.36 0.00 0.00 175.35 176.30 2aym s ILE 78 N -1.35 0.42 0.04 5.43 1.01 -1.26 -1.29 121.20 124.20 2aym s ILE 78 Ca 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.73 2aym s ILE 78 Cb -0.18 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 2aym s ILE 78 CO 0.21 0.08 -0.04 -0.89 0.00 0.00 0.00 174.94 174.30 2aym s THR 79 N -0.22 0.23 0.18 2.92 2.01 0.44 -4.98 115.64 116.21 2aym s THR 79 Ca 0.01 -1.25 -0.30 0.00 0.31 0.00 0.00 61.69 60.46 2aym s THR 79 Cb -0.03 -0.75 -0.08 0.00 0.01 0.00 0.00 72.50 71.65 2aym s THR 79 CO -0.00 -0.65 1.24 -0.36 -0.69 0.00 0.00 174.62 174.16 2aym s PHE 80 N -2.29 3.36 0.60 4.92 0.08 -1.26 -0.62 117.98 122.77 2aym s PHE 80 Ca -0.07 1.33 -0.17 0.00 0.12 0.00 0.00 56.93 58.14 2aym s PHE 80 Cb -0.04 -3.50 -0.03 0.00 -0.57 0.00 0.00 43.02 38.88 2aym s PHE 80 CO -0.04 -1.48 1.10 0.00 -0.10 0.00 0.00 175.22 174.70 2aym s ALA 81 N 0.14 2.62 -0.31 5.36 0.00 -0.21 -4.58 121.76 124.79 2aym s ALA 81 Ca 0.55 0.59 0.02 0.00 0.00 0.00 0.00 51.96 53.12 2aym s ALA 81 Cb -0.34 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.55 2aym s ALA 81 CO 0.36 -0.97 -0.01 0.15 0.00 0.00 0.00 175.76 175.30 2aym s LYS 82 N -3.81 2.05 0.00 0.00 3.01 -1.26 -4.79 119.74 114.93 2aym s LYS 82 Ca 0.68 -1.53 0.01 0.00 -1.01 0.00 0.00 55.97 54.12 2aym s LYS 82 Cb -0.20 -3.12 0.05 0.00 -1.01 0.00 0.00 37.83 33.55 2aym s LYS 82 CO 0.35 -0.74 0.55 1.63 0.51 0.00 0.00 175.35 177.65