#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aym n GLN 2 N 0.00 2.48 -1.49 0.00 10.64 -1.26 -4.97 117.38 122.79 2aym n GLN 2 Ca 0.00 0.90 -0.31 0.00 -1.83 0.00 0.00 57.00 55.76 2aym n GLN 2 Cb 0.00 -2.73 0.06 0.00 -0.86 0.00 0.00 30.24 26.72 2aym n GLN 2 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2aym s THR 3 N 1.65 3.69 0.04 -0.39 -4.23 -1.26 -5.09 115.64 110.05 2aym s THR 3 Ca 0.80 0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 61.86 2aym s THR 3 Cb -0.58 -3.19 -0.02 0.00 1.34 0.00 0.00 72.50 70.05 2aym s THR 3 CO 0.37 -0.69 0.02 -0.70 -0.54 0.00 0.00 174.62 173.08 2aym s GLU 4 N -4.87 0.51 0.23 3.99 2.56 -1.26 -4.54 118.70 115.32 2aym s GLU 4 Ca 0.60 -0.84 -0.06 0.00 0.00 0.00 0.00 54.97 54.67 2aym s GLU 4 Cb -0.16 0.19 -0.02 0.00 2.00 0.00 0.00 34.13 36.14 2aym s GLU 4 CO 0.53 -0.11 0.31 -0.65 -0.56 0.00 0.00 175.26 174.79 2aym s GLN 5 N -2.62 1.42 1.04 4.30 -1.52 -1.26 -4.97 119.66 116.05 2aym s GLN 5 Ca -0.05 -1.48 -0.12 0.00 -1.95 0.00 0.00 55.36 51.77 2aym s GLN 5 Cb -0.01 0.37 0.21 0.00 -0.22 0.00 0.00 33.01 33.36 2aym s GLN 5 CO -0.05 -0.54 1.03 -0.35 -0.25 0.00 0.00 175.29 175.13 2aym n PRO 6 N -0.35 -1.41 -1.56 2.91 -0.04 -1.26 -4.75 135.00 128.54 2aym n PRO 6 Ca 0.00 -0.36 -0.50 0.00 -0.04 0.00 0.00 63.50 62.61 2aym n PRO 6 Cb 0.64 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.81 2aym n PRO 6 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2aym n PRO 7 N -4.43 0.98 -3.81 0.54 -0.02 -1.26 -4.93 135.00 122.07 2aym n PRO 7 Ca 0.07 0.35 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 2aym n PRO 7 Cb 0.53 -1.81 -0.10 0.00 -0.02 0.00 0.00 33.50 32.10 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 -0.09 -0.14 0.00 2.55 2.47 -1.26 -4.94 114.94 113.53 2aym s ASN 8 Ca 0.74 0.16 0.00 0.00 0.42 0.00 0.00 52.86 54.18 2aym s ASN 8 Cb -0.89 0.35 0.00 0.00 -1.45 0.00 0.00 41.25 39.26 2aym s ASN 8 CO 0.53 -0.26 0.51 0.00 -3.72 0.00 0.00 177.10 174.16 2aym n GLN 9 N 2.09 0.51 -4.27 0.43 10.64 -1.26 -4.59 117.38 120.93 2aym n GLN 9 Ca -0.18 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 54.82 2aym n GLN 9 Cb 0.57 -1.00 -0.14 0.00 -0.86 0.00 0.00 30.24 28.81 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 0.61 0.13 -0.39 1.01 -1.26 -1.02 121.20 118.28 2aym s ILE 10 Ca 0.00 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.31 2aym s ILE 10 Cb 0.00 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 2aym s ILE 10 CO 0.00 0.11 -0.21 -0.76 0.00 0.00 0.00 174.94 174.08 2aym s LEU 11 N -0.35 2.35 -0.05 2.97 1.43 0.21 -1.09 118.68 124.16 2aym s LEU 11 Ca 0.02 -0.76 0.06 0.00 -1.03 0.00 0.00 54.13 52.42 2aym s LEU 11 Cb -0.04 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 2aym s LEU 11 CO -0.00 0.04 -0.22 0.12 0.23 0.00 0.00 176.35 176.51 2aym s PHE 12 N -1.47 2.16 0.09 0.29 5.36 0.06 -1.36 117.98 123.10 2aym s PHE 12 Ca 0.11 -0.59 0.05 0.00 -0.96 0.00 0.00 56.93 55.53 2aym s PHE 12 Cb -0.08 -1.42 -0.03 0.00 -0.34 0.00 0.00 43.02 41.14 2aym s PHE 12 CO 0.05 -0.17 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.01 2aym s LEU 13 N -0.18 2.34 0.33 6.12 1.02 0.22 -0.64 118.68 127.88 2aym s LEU 13 Ca -0.01 -0.71 0.01 0.00 0.02 0.00 0.00 54.13 53.44 2aym s LEU 13 Cb -0.12 -0.43 -0.01 0.00 0.02 0.00 0.00 46.19 45.65 2aym s LEU 13 CO 0.02 -0.16 0.39 0.42 0.02 0.00 0.00 176.35 177.05 2aym s THR 14 N -1.81 0.00 -1.22 5.49 -4.23 -0.36 -1.28 115.64 112.24 2aym s THR 14 Ca 0.02 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2aym s THR 14 Cb -0.07 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.19 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 -1.41 -4.27 -4.80 3.99 5.15 -0.77 -1.08 115.26 112.08 2aym n ASN 15 Ca 0.03 0.16 -0.29 0.00 -0.60 0.00 0.00 54.58 53.88 2aym n ASN 15 Cb 0.62 -3.63 0.11 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 -5.59 2.29 0.97 1.20 1.43 -0.39 -4.12 118.68 114.47 2aym s LEU 16 Ca 0.00 1.10 -0.14 0.00 -1.03 0.00 0.00 54.13 54.06 2aym s LEU 16 Cb 0.00 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 2aym s LEU 16 CO 0.00 -2.26 0.05 -2.65 0.23 0.00 0.00 176.35 171.71 2aym n PRO 17 N -3.60 -0.25 0.00 1.29 -0.02 -1.26 -4.45 135.00 126.71 2aym n PRO 17 Ca 0.07 -0.05 0.04 0.00 -2.02 0.00 0.00 63.50 61.54 2aym n PRO 17 Cb 0.58 -1.61 0.24 0.00 -0.02 0.00 0.00 33.50 32.69 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 -0.55 0.92 0.00 -0.52 1.02 -1.26 -3.08 120.64 117.17 2aym n GLU 18 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2aym n GLU 18 Cb 0.55 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.64 0.32 -1.71 3.49 -0.58 -1.26 -4.81 120.64 115.45 2aym n GLU 19 Ca 0.06 -0.57 -0.39 0.00 -0.42 0.00 0.00 57.16 55.84 2aym n GLU 19 Cb 0.03 -0.56 0.04 0.00 -0.57 0.00 0.00 31.44 30.37 2aym n GLU 19 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2aym n THR 20 N -0.05 3.47 -4.26 2.62 -1.04 -1.23 -5.03 114.28 108.75 2aym n THR 20 Ca 0.00 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.31 2aym n THR 20 Cb 0.45 -1.53 -0.11 0.00 -1.82 0.00 0.00 70.33 67.31 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 -0.88 2.21 0.31 8.00 3.84 -1.26 -4.85 114.94 122.32 2aym s ASN 21 Ca 0.70 -0.78 0.06 0.00 0.21 0.00 0.00 52.86 53.05 2aym s ASN 21 Cb -0.44 -0.10 0.73 0.00 -0.55 0.00 0.00 41.25 40.89 2aym s ASN 21 CO 0.51 -0.08 1.80 -0.08 -2.79 0.00 0.00 177.10 176.46 2aym h GLU 22 N 3.64 0.76 -0.29 0.43 4.81 -1.96 -0.64 114.58 121.33 2aym h GLU 22 Ca -0.42 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.71 2aym h GLU 22 Cb 1.20 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2aym h GLU 22 CO 0.48 0.50 -0.06 0.52 -0.73 0.00 0.00 179.01 179.72 2aym h MET 23 N 0.78 0.46 0.44 1.92 2.86 -1.96 -1.30 114.93 118.12 2aym h MET 23 Ca 0.55 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 58.07 2aym h MET 23 Cb 0.84 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2aym h MET 23 CO -0.34 0.53 -0.21 0.52 1.06 0.00 0.00 176.91 178.47 2aym h MET 24 N 0.43 -0.57 -0.07 1.72 2.86 -1.52 -0.34 114.93 117.45 2aym h MET 24 Ca 0.09 0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 2aym h MET 24 Cb 0.38 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2aym h MET 24 CO 0.02 -0.31 -0.44 -0.07 1.06 0.00 0.00 176.91 177.17 2aym h LEU 25 N -0.72 0.16 0.07 1.22 3.38 -1.53 -1.42 115.31 116.48 2aym h LEU 25 Ca -0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2aym h LEU 25 Cb 0.52 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2aym h LEU 25 CO 0.10 0.58 -0.08 0.28 0.09 0.00 0.00 178.44 179.41 2aym h SER 26 N 0.13 -0.22 0.13 -0.43 0.02 -0.97 0.30 113.55 112.51 2aym h SER 26 Ca 0.01 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2aym h SER 26 Cb 0.83 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2aym h SER 26 CO 0.06 -0.13 -0.23 0.00 -1.14 0.00 0.00 176.83 175.39 2aym h MET 27 N -0.18 0.19 0.30 3.45 -0.00 -0.82 -0.38 114.93 117.49 2aym h MET 27 Ca 0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 2aym h MET 27 Cb 0.18 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.76 2aym h MET 27 CO -0.03 0.42 -0.15 -0.07 -0.00 0.00 0.00 176.91 177.08 2aym h LEU 28 N 0.17 -0.34 -0.09 -0.10 3.38 -0.83 -3.33 115.31 114.16 2aym h LEU 28 Ca 0.03 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2aym h LEU 28 Cb 0.52 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2aym h LEU 28 CO 0.04 0.03 -0.37 -0.26 0.09 0.00 0.00 178.44 177.97 2aym h PHE 29 N -0.76 0.00 0.00 1.13 -1.00 -0.87 -3.28 116.94 112.16 2aym h PHE 29 Ca -0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 2aym h PHE 29 Cb 0.50 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.06 2aym h PHE 29 CO 0.03 0.37 0.00 -1.71 -1.61 0.00 0.00 178.31 175.38 2aym n ASN 30 N -3.21 0.30 0.08 2.17 5.15 -0.16 -1.66 115.26 117.93 2aym n ASN 30 Ca 0.02 0.61 0.17 0.00 -0.60 0.00 0.00 54.58 54.78 2aym n ASN 30 Cb 0.66 -0.66 0.68 0.00 -0.53 0.00 0.00 39.78 39.93 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 -6.36 1.20 3.07 -1.73 -3.42 115.11 107.88 2aym h GLN 31 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 58.20 2aym h GLN 31 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.64 2aym h GLN 31 CO 0.00 0.00 0.14 -0.06 0.09 0.00 0.00 178.83 179.00 2aym s PHE 32 N -5.02 3.80 -0.03 0.06 0.08 -0.67 -4.95 117.98 111.25 2aym s PHE 32 Ca -0.05 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.50 2aym s PHE 32 Cb 0.19 -2.77 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 2aym s PHE 32 CO 0.71 0.38 0.69 -0.35 -0.10 0.00 0.00 175.22 176.55 2aym n PRO 33 N 2.31 0.70 0.00 0.24 -0.04 -1.26 -2.60 135.00 134.35 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 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.63 1.00 3.65 0.55 0.00 -1.26 -5.03 105.19 104.73 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 1.16 0.05 1.61 7.35 -1.07 -0.32 117.46 126.23 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 0.11 -2.18 0.00 0.00 0.35 0.00 0.00 39.48 37.77 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 -1.34 0.00 -3.82 -4.13 4.76 -0.26 -4.68 118.16 108.68 2aym n LYS 36 Ca 0.15 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.51 2aym n LYS 36 Cb 0.48 -0.26 0.01 0.00 -1.84 0.00 0.00 35.03 33.42 2aym n LYS 36 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2aym s GLU 37 N -2.00 2.08 0.04 1.97 2.12 -0.63 -5.00 118.70 117.28 2aym s GLU 37 Ca 0.00 -1.30 0.01 0.00 0.36 0.00 0.00 54.97 54.04 2aym s GLU 37 Cb 0.00 0.61 -0.03 0.00 0.26 0.00 0.00 34.13 34.97 2aym s GLU 37 CO 0.00 -0.97 -0.05 0.08 -0.54 0.00 0.00 175.26 173.78 2aym s VAL 38 N -2.65 0.33 -0.25 3.70 1.01 -1.26 -0.65 120.40 120.63 2aym s VAL 38 Ca 0.15 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 2aym s VAL 38 Cb -0.05 -0.68 0.08 0.00 0.00 0.00 0.00 36.38 35.73 2aym s VAL 38 CO 0.10 -0.56 0.05 -0.60 0.00 0.00 0.00 175.10 174.09 2aym s ARG 39 N -2.05 0.86 0.94 2.72 6.06 0.12 -4.96 118.95 122.64 2aym s ARG 39 Ca -0.08 -0.82 -0.12 0.00 -2.50 0.00 0.00 55.73 52.21 2aym s ARG 39 Cb -0.06 -2.16 0.15 0.00 0.06 0.00 0.00 34.95 32.94 2aym s ARG 39 CO -0.02 -0.78 1.13 -1.17 -2.50 0.00 0.00 175.30 171.95 2aym s LEU 40 N 1.66 1.90 -0.60 -0.88 1.98 -1.26 -0.79 118.68 120.69 2aym s LEU 40 Ca 0.03 1.00 0.04 0.00 -2.89 0.00 0.00 54.13 52.31 2aym s LEU 40 Cb -0.17 -3.28 0.15 0.00 0.66 0.00 0.00 46.19 43.54 2aym s LEU 40 CO -0.15 -2.71 0.36 -0.69 -1.89 0.00 0.00 176.35 171.28 2aym s VAL 41 N -3.21 2.70 -0.01 1.68 1.01 -1.25 -4.90 120.40 116.42 2aym s VAL 41 Ca 0.64 -3.73 0.00 0.00 0.00 0.00 0.00 61.98 58.89 2aym s VAL 41 Cb -0.16 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2aym s VAL 41 CO 0.54 -0.89 0.68 -0.81 0.00 0.00 0.00 175.10 174.62 2aym n PRO 42 N 2.61 0.68 0.00 2.72 -0.04 -1.26 -0.70 135.00 139.01 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 0.33 -1.16 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 0.65 0.20 0.00 3.54 0.23 -1.26 -4.88 115.26 113.74 2aym n ASN 43 Ca 0.00 -0.54 0.00 0.00 -0.53 0.00 0.00 54.58 53.51 2aym n ASN 43 Cb 0.34 0.35 0.00 0.00 -2.08 0.00 0.00 39.78 38.38 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 -0.35 0.96 0.00 -3.83 1.74 0.01 -5.04 116.66 110.15 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 0.04 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 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 -1.78 0.00 1.73 -1.55 8.25 0.12 -4.65 115.22 117.34 2aym n HIS 45 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 2aym n HIS 45 Cb 0.29 -0.28 0.84 0.00 1.12 0.00 0.00 29.99 31.96 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 0.09 -4.22 0.41 5.75 -1.18 -4.20 116.55 113.20 2aym n ASP 46 Ca 0.00 -0.67 -0.13 0.00 -0.01 0.00 0.00 54.79 53.98 2aym n ASP 46 Cb 0.00 -0.11 -0.10 0.00 -1.03 0.00 0.00 41.12 39.88 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 -2.25 0.93 0.26 2.12 -4.36 -1.26 -1.27 121.20 115.37 2aym s ILE 47 Ca 0.39 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.57 2aym s ILE 47 Cb 0.21 -1.84 0.06 0.00 1.25 0.00 0.00 42.46 42.14 2aym s ILE 47 CO 0.41 -0.75 0.90 0.00 0.24 0.00 0.00 174.94 175.74 2aym s ALA 48 N -3.48 -1.28 0.11 2.27 0.00 -0.40 -3.76 121.76 115.22 2aym s ALA 48 Ca 0.16 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 51.82 2aym s ALA 48 Cb 0.04 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2aym s ALA 48 CO -0.01 -1.03 -0.17 -0.06 0.00 0.00 0.00 175.76 174.49 2aym s PHE 49 N -2.69 1.57 0.03 0.00 0.40 0.03 -0.61 117.98 116.70 2aym s PHE 49 Ca 0.16 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 2aym s PHE 49 Cb -0.04 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.63 2aym s PHE 49 CO 0.07 0.17 -0.07 0.08 0.70 0.00 0.00 175.22 176.17 2aym s VAL 50 N -1.54 0.54 -0.00 -0.44 1.01 -0.47 -0.70 120.40 118.81 2aym s VAL 50 Ca 0.06 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2aym s VAL 50 Cb -0.08 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 2aym s VAL 50 CO 0.04 -0.22 -0.08 -0.70 0.00 0.00 0.00 175.10 174.14 2aym s GLU 51 N -1.16 0.60 0.15 2.72 2.12 0.18 -0.62 118.70 122.69 2aym s GLU 51 Ca -0.06 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 54.99 2aym s GLU 51 Cb -0.08 -0.58 -0.04 0.00 0.26 0.00 0.00 34.13 33.69 2aym s GLU 51 CO 0.00 0.16 -0.00 -0.06 -0.54 0.00 0.00 175.26 174.82 2aym s PHE 52 N -0.23 1.10 0.08 5.30 0.40 -0.19 -1.10 117.98 123.34 2aym s PHE 52 Ca 0.02 -1.04 -0.22 0.00 -0.60 0.00 0.00 56.93 55.09 2aym s PHE 52 Cb -0.03 -0.63 -0.14 0.00 0.51 0.00 0.00 43.02 42.73 2aym s PHE 52 CO -0.00 -0.25 1.65 1.15 0.70 0.00 0.00 175.22 178.47 2aym h THR 53 N 2.77 1.10 -3.76 0.64 2.02 -0.95 -3.46 112.91 111.27 2aym h THR 53 Ca -0.36 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 66.40 2aym h THR 53 Cb 1.20 1.17 -0.18 0.00 -1.74 0.00 0.00 68.15 68.60 2aym h THR 53 CO 0.62 0.08 -0.52 0.42 0.37 0.00 0.00 175.52 176.50 2aym s THR 54 N -5.76 0.12 0.33 3.16 -4.23 -1.26 -4.99 115.64 103.01 2aym s THR 54 Ca -0.14 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 59.39 2aym s THR 54 Cb 0.06 -0.81 0.14 0.00 1.34 0.00 0.00 72.50 73.23 2aym s THR 54 CO 0.68 -0.57 1.84 -0.33 -0.54 0.00 0.00 174.62 175.70 2aym h GLU 55 N 3.78 0.50 -0.18 3.99 3.07 -1.91 -1.84 114.58 121.99 2aym h GLU 55 Ca -0.32 -0.12 -0.19 0.00 -0.50 0.00 0.00 59.36 58.22 2aym h GLU 55 Cb 1.19 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2aym h GLU 55 CO 0.49 0.57 -0.66 -0.07 -1.40 0.00 0.00 179.01 177.94 2aym h LEU 56 N 0.47 0.79 -0.12 1.33 -0.00 -1.94 -0.71 115.31 115.13 2aym h LEU 56 Ca 0.10 -0.47 -0.24 0.00 -0.00 0.00 0.00 57.88 57.27 2aym h LEU 56 Cb 0.41 -0.23 0.01 0.00 -0.00 0.00 0.00 40.66 40.85 2aym h LEU 56 CO 0.02 1.24 -0.86 1.56 -0.00 0.00 0.00 178.44 180.40 2aym h GLN 57 N 0.50 0.76 -0.74 1.13 4.20 -1.90 -0.49 115.11 118.57 2aym h GLN 57 Ca -0.02 -0.68 -0.03 0.00 0.06 0.00 0.00 58.65 57.98 2aym h GLN 57 Cb 1.25 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 29.16 2aym h GLN 57 CO 0.13 1.27 0.34 0.66 -0.67 0.00 0.00 178.83 180.57 2aym h SER 58 N 0.49 0.97 -0.34 1.46 4.64 -1.39 -0.31 113.55 119.08 2aym h SER 58 Ca -0.08 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2aym h SER 58 Cb 1.50 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 2aym h SER 58 CO 0.17 0.84 0.21 -1.13 -0.87 0.00 0.00 176.83 176.05 2aym h ASN 59 N 1.06 0.40 -0.67 4.97 -1.24 -0.91 0.13 115.58 119.33 2aym h ASN 59 Ca 0.25 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.22 2aym h ASN 59 Cb 0.13 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 2aym h ASN 59 CO -0.03 0.32 0.41 0.00 -1.29 0.00 0.00 177.43 176.84 2aym h ALA 60 N 1.09 0.85 -0.74 1.57 0.00 -0.79 -0.67 119.26 120.57 2aym h ALA 60 Ca 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2aym h ALA 60 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2aym h ALA 60 CO -0.02 0.31 0.22 0.00 0.00 0.00 0.00 179.25 179.76 2aym h ALA 61 N 1.22 0.97 0.11 0.00 0.00 -0.79 -0.81 119.26 119.97 2aym h ALA 61 Ca 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aym h ALA 61 Cb -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2aym h ALA 61 CO -0.05 0.66 -0.06 -0.22 0.00 0.00 0.00 179.25 179.59 2aym h LYS 62 N 1.11 -0.16 -0.81 0.00 3.64 -0.33 -0.72 116.57 119.30 2aym h LYS 62 Ca 0.24 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 2aym h LYS 62 Cb 0.32 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 2aym h LYS 62 CO -0.01 -0.10 0.54 0.93 -2.27 0.00 0.00 179.45 178.54 2aym h GLU 63 N -0.16 1.01 -0.27 1.90 4.39 -0.90 -0.08 114.58 120.47 2aym h GLU 63 Ca -0.01 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 2aym h GLU 63 Cb 0.13 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2aym h GLU 63 CO 0.02 0.67 -0.53 0.00 -1.16 0.00 0.00 179.01 178.01 2aym h ALA 64 N 1.51 0.55 -0.01 3.43 0.00 -0.79 -3.36 119.26 120.59 2aym h ALA 64 Ca 0.31 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2aym h ALA 64 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2aym h ALA 64 CO -0.08 0.68 -0.13 1.28 0.00 0.00 0.00 179.25 181.00 2aym n LEU 65 N -4.00 1.16 -4.68 0.00 4.77 -0.31 -4.86 117.00 109.09 2aym n LEU 65 Ca -0.04 -0.81 -0.49 0.00 -0.03 0.00 0.00 56.01 54.64 2aym n LEU 65 Cb 0.61 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 2aym n LEU 65 CO 0.49 0.24 1.36 0.00 -1.33 0.00 0.00 177.39 178.15 2aym n GLN 66 N -0.17 1.99 -0.88 3.23 1.13 -0.06 -1.23 117.38 121.39 2aym n GLN 66 Ca 0.03 0.73 0.00 0.00 -1.94 0.00 0.00 57.00 55.82 2aym n GLN 66 Cb 0.17 -2.52 0.00 0.00 0.11 0.00 0.00 30.24 28.00 2aym n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aym n GLY 67 N 4.01 0.82 3.68 1.08 0.00 -0.20 -5.01 105.19 109.56 2aym n GLY 67 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.21 2.41 -0.27 1.61 5.36 -0.36 -4.55 117.98 118.96 2aym s PHE 68 Ca 0.00 0.47 -0.28 0.00 -0.96 0.00 0.00 56.93 56.16 2aym s PHE 68 Cb 0.00 -3.82 -0.03 0.00 -0.34 0.00 0.00 43.02 38.83 2aym s PHE 68 CO 0.00 -3.27 1.96 0.15 -1.46 0.00 0.00 175.22 172.60 2aym s LYS 69 N 3.17 3.29 0.04 10.12 3.01 -1.26 -1.02 119.74 137.08 2aym s LYS 69 Ca 0.69 1.70 -0.21 0.00 -1.01 0.00 0.00 55.97 57.14 2aym s LYS 69 Cb -0.33 -4.26 -0.15 0.00 -1.01 0.00 0.00 37.83 32.08 2aym s LYS 69 CO 0.28 -1.92 1.35 0.82 0.51 0.00 0.00 175.35 176.39 2aym h ILE 70 N 6.90 1.34 -3.63 2.17 2.04 -1.46 -3.46 117.51 121.42 2aym h ILE 70 Ca -0.37 -1.25 -0.30 0.00 1.00 0.00 0.00 64.86 63.93 2aym h ILE 70 Cb 1.20 1.86 -0.15 0.00 -0.74 0.00 0.00 36.82 39.00 2aym h ILE 70 CO 1.00 0.37 -0.67 0.42 0.00 0.00 0.00 178.15 179.26 2aym s THR 71 N -4.36 0.82 0.61 -0.27 -4.23 -1.25 -5.03 115.64 101.93 2aym s THR 71 Ca -0.14 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.54 2aym s THR 71 Cb 0.05 -2.07 0.17 0.00 1.34 0.00 0.00 72.50 71.99 2aym s THR 71 CO 0.74 -0.53 1.52 -0.65 -0.54 0.00 0.00 174.62 175.16 2aym h PRO 72 N 2.70 0.00 0.00 3.99 0.11 -2.00 -0.52 132.00 136.27 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 -2.66 0.99 -3.31 -1.15 -2.24 -1.26 -4.86 114.28 99.79 2aym n THR 73 Ca -0.01 -1.01 -0.25 0.00 -2.27 0.00 0.00 64.05 60.51 2aym n THR 73 Cb 0.61 0.49 -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 -0.52 0.72 -2.03 4.78 8.25 -0.20 -5.02 115.22 121.20 2aym n HIS 74 Ca 0.01 -3.71 -0.42 0.00 -0.26 0.00 0.00 57.72 53.33 2aym n HIS 74 Cb 0.29 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.34 2.81 0.47 -1.41 0.00 -1.26 -1.06 121.76 119.97 2aym s ALA 75 Ca 0.35 0.13 -0.24 0.00 0.00 0.00 0.00 51.96 52.21 2aym s ALA 75 Cb 0.14 -4.04 -0.08 0.00 0.00 0.00 0.00 23.12 19.14 2aym s ALA 75 CO -0.10 -2.74 1.31 0.00 0.00 0.00 0.00 175.76 174.22 2aym n MET 76 N 8.47 1.88 -4.42 0.00 0.00 -0.19 -4.74 117.12 118.12 2aym n MET 76 Ca 0.22 0.67 -0.31 0.00 0.00 0.00 0.00 57.70 58.28 2aym n MET 76 Cb 0.47 -2.47 -0.10 0.00 0.00 0.00 0.00 33.22 31.12 2aym n MET 76 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2aym s LYS 77 N -2.45 2.41 0.04 3.17 2.20 -0.24 -1.03 119.74 123.84 2aym s LYS 77 Ca 0.64 -0.82 0.04 0.00 -0.36 0.00 0.00 55.97 55.47 2aym s LYS 77 Cb -0.47 -2.42 -0.02 0.00 -1.51 0.00 0.00 37.83 33.41 2aym s LYS 77 CO 0.55 0.57 -0.12 0.42 -0.36 0.00 0.00 175.35 176.41 2aym s ILE 78 N -1.05 0.91 -0.01 5.43 1.01 -1.26 -1.22 121.20 125.01 2aym s ILE 78 Ca 0.18 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 2aym s ILE 78 Cb -0.11 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2aym s ILE 78 CO 0.09 -0.12 0.15 0.42 0.00 0.00 0.00 174.94 175.48 2aym s THR 79 N -0.99 0.07 0.01 2.92 -4.23 0.18 -4.99 115.64 108.61 2aym s THR 79 Ca -0.02 -0.57 -0.30 0.00 -1.18 0.00 0.00 61.69 59.62 2aym s THR 79 Cb -0.08 -0.41 -0.05 0.00 1.34 0.00 0.00 72.50 73.30 2aym s THR 79 CO 0.01 -0.31 1.28 -0.36 -0.54 0.00 0.00 174.62 174.70 2aym s PHE 80 N -1.14 3.14 0.27 3.99 0.08 -1.26 -0.76 117.98 122.29 2aym s PHE 80 Ca -0.12 1.08 -0.05 0.00 0.12 0.00 0.00 56.93 57.96 2aym s PHE 80 Cb -0.06 -3.52 0.06 0.00 -0.57 0.00 0.00 43.02 38.92 2aym s PHE 80 CO 0.01 -1.78 0.35 0.00 -0.10 0.00 0.00 175.22 173.70 2aym n ALA 81 N 4.84 -0.46 -2.67 5.36 0.00 -0.25 -4.15 120.51 123.18 2aym n ALA 81 Ca 0.11 -0.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.79 2aym n ALA 81 Cb 0.45 -0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 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 -3.76 2.18 0.00 0.00 1.02 -1.26 -4.76 119.74 113.16 2aym s LYS 82 Ca 0.20 -2.28 0.00 0.00 0.02 0.00 0.00 55.97 53.91 2aym s LYS 82 Cb -0.01 -1.66 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 2aym s LYS 82 CO 0.14 -0.35 0.03 1.63 -0.92 0.00 0.00 175.35 175.87