#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 2.82 0.11 0.00 -2.07 -1.26 -5.01 119.66 114.24 2aym s GLN 2 Ca 0.00 1.72 -0.25 0.00 -1.82 0.00 0.00 55.36 55.01 2aym s GLN 2 Cb 0.00 -1.92 0.07 0.00 -1.09 0.00 0.00 33.01 30.07 2aym s GLN 2 CO 0.00 -1.30 0.62 0.99 -1.32 0.00 0.00 175.29 174.28 2aym s THR 3 N -1.81 0.00 0.30 3.63 2.01 -1.26 -5.11 115.64 113.40 2aym s THR 3 Ca 0.75 -0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.47 2aym s THR 3 Cb -0.28 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.14 2aym s THR 3 CO 0.36 -0.00 0.99 -0.70 -0.69 0.00 0.00 174.62 174.58 2aym s GLU 4 N -3.08 4.61 0.23 4.92 2.12 -1.26 -3.44 118.70 122.80 2aym s GLU 4 Ca -0.02 1.50 -0.09 0.00 0.36 0.00 0.00 54.97 56.72 2aym s GLU 4 Cb -0.01 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 2aym s GLU 4 CO -0.07 0.27 0.36 -0.65 -0.54 0.00 0.00 175.26 174.64 2aym s GLN 5 N -1.74 1.42 0.39 4.30 -1.52 -1.26 -4.99 119.66 116.25 2aym s GLN 5 Ca 0.47 -1.35 -0.24 0.00 -1.95 0.00 0.00 55.36 52.29 2aym s GLN 5 Cb -0.24 0.41 -0.13 0.00 -0.22 0.00 0.00 33.01 32.83 2aym s GLN 5 CO 0.30 -0.55 0.67 -2.30 -0.25 0.00 0.00 175.29 173.16 2aym n PRO 6 N -0.34 0.73 -1.53 2.91 -0.02 -1.26 -4.88 135.00 130.61 2aym n PRO 6 Ca -0.01 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.33 2aym n PRO 6 Cb 0.63 -1.58 0.02 0.00 -0.02 0.00 0.00 33.50 32.55 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 0.58 0.86 -3.97 0.52 -0.02 -1.26 -5.00 135.00 126.70 2aym n PRO 7 Ca 0.11 0.32 -0.09 0.00 -2.02 0.00 0.00 63.50 61.82 2aym n PRO 7 Cb 0.37 -1.81 -0.11 0.00 -0.02 0.00 0.00 33.50 31.93 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 -0.97 0.23 0.00 2.55 2.47 -1.26 -4.95 114.94 113.01 2aym s ASN 8 Ca 0.66 -0.48 0.03 0.00 0.42 0.00 0.00 52.86 53.49 2aym s ASN 8 Cb -0.53 0.11 0.19 0.00 -1.45 0.00 0.00 41.25 39.57 2aym s ASN 8 CO 0.55 -0.31 0.99 0.00 -3.72 0.00 0.00 177.10 174.61 2aym n GLN 9 N 1.57 0.86 -4.34 0.43 10.64 -1.26 -4.63 117.38 120.65 2aym n GLN 9 Ca -0.24 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.75 2aym n GLN 9 Cb 0.55 -1.06 -0.15 0.00 -0.86 0.00 0.00 30.24 28.72 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 0.68 0.11 -0.39 1.01 -1.26 -0.89 121.20 118.46 2aym s ILE 10 Ca 0.05 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.43 2aym s ILE 10 Cb 0.02 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 2aym s ILE 10 CO 0.04 0.20 -0.21 -0.76 0.00 0.00 0.00 174.94 174.21 2aym s LEU 11 N -0.08 2.31 -0.06 2.97 1.02 0.15 -1.03 118.68 123.96 2aym s LEU 11 Ca 0.01 -0.71 0.05 0.00 0.02 0.00 0.00 54.13 53.51 2aym s LEU 11 Cb -0.05 -0.88 -0.01 0.00 0.02 0.00 0.00 46.19 45.27 2aym s LEU 11 CO -0.00 0.05 -0.22 0.12 0.02 0.00 0.00 176.35 176.32 2aym s PHE 12 N -1.26 2.52 0.06 0.29 5.36 0.04 -1.35 117.98 123.65 2aym s PHE 12 Ca 0.07 -0.61 0.07 0.00 -0.96 0.00 0.00 56.93 55.51 2aym s PHE 12 Cb -0.10 -1.63 -0.03 0.00 -0.34 0.00 0.00 43.02 40.93 2aym s PHE 12 CO 0.04 -0.14 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.96 2aym s LEU 13 N -0.22 2.21 0.24 6.12 1.02 0.15 -0.80 118.68 127.41 2aym s LEU 13 Ca -0.01 -0.57 -0.06 0.00 0.02 0.00 0.00 54.13 53.51 2aym s LEU 13 Cb -0.13 -0.86 -0.02 0.00 0.02 0.00 0.00 46.19 45.19 2aym s LEU 13 CO 0.03 0.10 0.33 0.42 0.02 0.00 0.00 176.35 177.25 2aym s THR 14 N -0.95 0.00 -1.35 5.49 -4.23 -0.27 -1.31 115.64 113.02 2aym s THR 14 Ca 0.06 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 2aym s THR 14 Cb -0.09 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.36 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 -0.51 -4.68 -4.85 3.99 5.15 -0.79 -1.04 115.26 112.53 2aym n ASN 15 Ca 0.00 0.12 -0.31 0.00 -0.60 0.00 0.00 54.58 53.80 2aym n ASN 15 Cb 0.63 -3.94 0.04 0.00 -0.53 0.00 0.00 39.78 35.98 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 -5.72 3.09 0.47 1.20 1.43 -0.60 -4.12 118.68 114.44 2aym s LEU 16 Ca 0.00 1.44 -0.21 0.00 -1.03 0.00 0.00 54.13 54.33 2aym s LEU 16 Cb 0.00 -4.36 -0.11 0.00 0.03 0.00 0.00 46.19 41.76 2aym s LEU 16 CO 0.00 -1.25 0.65 -2.65 0.23 0.00 0.00 176.35 173.33 2aym n PRO 17 N -2.99 0.72 0.00 1.29 -0.02 -1.26 -4.35 135.00 128.39 2aym n PRO 17 Ca 0.07 0.26 0.04 0.00 -2.02 0.00 0.00 63.50 61.85 2aym n PRO 17 Cb 0.54 -1.70 0.24 0.00 -0.02 0.00 0.00 33.50 32.56 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 0.25 0.55 -0.08 -0.52 0.28 -1.26 -2.34 120.64 117.50 2aym n GLU 18 Ca 0.11 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.12 2aym n GLU 18 Cb 0.42 -1.23 0.02 0.00 1.43 0.00 0.00 31.44 32.08 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 -0.73 1.14 -1.74 3.44 1.02 -1.26 -4.77 120.64 117.74 2aym n GLU 19 Ca 0.06 -1.15 -0.38 0.00 -0.02 0.00 0.00 57.16 55.66 2aym n GLU 19 Cb 0.03 -0.78 0.05 0.00 -0.02 0.00 0.00 31.44 30.71 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 -0.34 3.96 -4.14 2.62 -1.04 -0.99 -5.04 114.28 109.30 2aym n THR 20 Ca 0.02 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.44 2aym n THR 20 Cb 0.47 -1.66 -0.10 0.00 -1.82 0.00 0.00 70.33 67.22 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 -0.95 0.82 0.36 8.00 2.47 -1.26 -4.84 114.94 119.54 2aym s ASN 21 Ca 0.73 -1.04 0.08 0.00 0.42 0.00 0.00 52.86 53.05 2aym s ASN 21 Cb -0.41 0.16 0.79 0.00 -1.45 0.00 0.00 41.25 40.34 2aym s ASN 21 CO 0.48 -0.55 1.91 -0.33 -3.72 0.00 0.00 177.10 174.90 2aym h GLU 22 N 3.01 0.69 -0.55 0.43 5.08 -1.96 -1.11 114.58 120.16 2aym h GLU 22 Ca -0.35 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2aym h GLU 22 Cb 1.16 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 2aym h GLU 22 CO 0.65 0.46 0.29 0.52 -1.00 0.00 0.00 179.01 179.92 2aym h MET 23 N 0.71 0.75 0.43 2.33 2.86 -1.98 -0.14 114.93 119.89 2aym h MET 23 Ca 0.38 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 2aym h MET 23 Cb 0.51 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2aym h MET 23 CO -0.15 0.56 -0.20 0.52 1.06 0.00 0.00 176.91 178.69 2aym h MET 24 N 0.76 -0.55 -0.14 1.72 2.86 -1.61 -1.06 114.93 116.90 2aym h MET 24 Ca 0.19 0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.76 2aym h MET 24 Cb 0.03 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2aym h MET 24 CO -0.03 -0.27 -0.42 -0.07 1.06 0.00 0.00 176.91 177.18 2aym h LEU 25 N -0.78 0.34 -0.32 1.22 3.38 -1.51 -1.23 115.31 116.41 2aym h LEU 25 Ca -0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2aym h LEU 25 Cb 0.54 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2aym h LEU 25 CO 0.10 0.73 0.12 0.28 0.09 0.00 0.00 178.44 179.76 2aym h SER 26 N 0.27 0.44 -0.87 -0.43 0.02 -0.98 0.48 113.55 112.48 2aym h SER 26 Ca 0.02 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2aym h SER 26 Cb 0.86 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 2aym h SER 26 CO 0.07 0.49 0.56 -0.03 -1.14 0.00 0.00 176.83 176.79 2aym h MET 27 N 0.37 1.06 0.12 3.45 1.85 -0.82 -0.48 114.93 120.48 2aym h MET 27 Ca 0.11 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.13 2aym h MET 27 Cb 0.19 -0.24 0.00 0.00 0.43 0.00 0.00 31.60 31.98 2aym h MET 27 CO -0.01 0.70 -0.06 -0.07 -0.40 0.00 0.00 176.91 177.07 2aym h LEU 28 N 1.09 -0.14 0.00 3.39 3.38 -0.79 -3.36 115.31 118.89 2aym h LEU 28 Ca 0.35 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2aym h LEU 28 Cb 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2aym h LEU 28 CO -0.12 0.35 -0.71 -0.26 0.09 0.00 0.00 178.44 177.79 2aym h PHE 29 N -0.66 0.00 0.00 1.13 -1.00 -0.86 -3.33 116.94 112.22 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 0.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.07 2aym h PHE 29 CO 0.08 0.49 0.00 -1.71 -1.61 0.00 0.00 178.31 175.55 2aym n ASN 30 N -3.13 0.47 0.14 2.17 5.15 -0.19 -1.70 115.26 118.17 2aym n ASN 30 Ca -0.01 0.66 0.15 0.00 -0.60 0.00 0.00 54.58 54.79 2aym n ASN 30 Cb 0.75 -0.75 0.69 0.00 -0.53 0.00 0.00 39.78 39.94 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 -6.24 1.20 3.07 -1.75 -3.41 115.11 107.98 2aym h GLN 31 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 2aym h GLN 31 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.69 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 -4.98 3.70 0.00 0.06 0.08 -0.69 -4.95 117.98 111.20 2aym s PHE 32 Ca -0.05 1.42 0.00 0.00 0.12 0.00 0.00 56.93 58.42 2aym s PHE 32 Cb 0.18 -2.81 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 2aym s PHE 32 CO 0.68 0.24 1.31 -0.35 -0.10 0.00 0.00 175.22 177.00 2aym n PRO 33 N 2.99 0.77 0.00 0.24 -0.04 -1.26 -2.59 135.00 135.11 2aym n PRO 33 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 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 1.33 1.00 3.65 0.55 0.00 -1.26 -5.02 105.19 105.43 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 1.18 0.07 1.61 7.35 -1.07 -0.19 117.46 126.41 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 37.71 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 -1.38 0.00 -3.95 -4.13 5.02 -0.39 -4.71 118.16 108.63 2aym n LYS 36 Ca 0.15 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 2aym n LYS 36 Cb 0.48 -0.26 -0.04 0.00 -0.02 0.00 0.00 35.03 35.19 2aym n LYS 36 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2aym s GLU 37 N -2.00 1.70 0.19 1.97 2.02 -0.65 -5.02 118.70 116.91 2aym s GLU 37 Ca 0.00 -1.22 0.01 0.00 0.02 0.00 0.00 54.97 53.78 2aym s GLU 37 Cb 0.00 0.52 -0.05 0.00 0.10 0.00 0.00 34.13 34.71 2aym s GLU 37 CO 0.00 -0.74 0.04 0.14 0.02 0.00 0.00 175.26 174.72 2aym s VAL 38 N -3.79 0.57 -0.19 2.63 -7.23 -1.26 -0.57 120.40 110.56 2aym s VAL 38 Ca 0.19 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 2aym s VAL 38 Cb -0.03 -2.27 0.07 0.00 0.56 0.00 0.00 36.38 34.71 2aym s VAL 38 CO 0.09 -0.32 0.10 -0.60 -0.31 0.00 0.00 175.10 174.06 2aym s ARG 39 N -3.97 0.10 0.90 4.82 3.52 0.22 -4.95 118.95 119.59 2aym s ARG 39 Ca 0.28 -0.17 -0.12 0.00 -0.13 0.00 0.00 55.73 55.59 2aym s ARG 39 Cb 0.07 -1.72 0.13 0.00 -1.56 0.00 0.00 34.95 31.87 2aym s ARG 39 CO 0.07 -0.73 1.14 -0.51 -0.81 0.00 0.00 175.30 174.46 2aym s LEU 40 N 2.13 2.06 -0.59 -0.88 2.01 -1.26 -0.76 118.68 121.39 2aym s LEU 40 Ca 0.03 0.93 -0.03 0.00 0.01 0.00 0.00 54.13 55.07 2aym s LEU 40 Cb -0.16 -3.26 0.15 0.00 0.01 0.00 0.00 46.19 42.93 2aym s LEU 40 CO -0.14 -2.50 0.39 -0.69 1.01 0.00 0.00 176.35 174.42 2aym s VAL 41 N -3.32 3.61 -0.19 -1.59 1.01 -1.24 -4.91 120.40 113.77 2aym s VAL 41 Ca 0.64 -2.82 0.00 0.00 0.00 0.00 0.00 61.98 59.80 2aym s VAL 41 Cb -0.14 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2aym s VAL 41 CO 0.53 -0.84 0.56 -0.81 0.00 0.00 0.00 175.10 174.54 2aym n PRO 42 N 3.66 0.62 0.00 2.72 -0.04 -1.26 -0.62 135.00 140.09 2aym n PRO 42 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2aym n PRO 42 Cb 0.38 -1.21 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 0.09 -0.04 0.00 0.00 175.50 175.55 2aym n ASN 43 N 0.60 0.10 0.00 3.54 3.02 -1.26 -4.91 115.26 116.35 2aym n ASN 43 Ca 0.00 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2aym n ASN 43 Cb 0.28 0.57 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 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 -0.57 0.06 0.00 3.52 1.74 -0.11 -5.04 116.66 116.25 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 0.01 -0.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 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 -1.52 0.00 1.10 -1.55 8.25 0.21 -4.70 115.22 117.01 2aym n HIS 45 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 2aym n HIS 45 Cb 0.07 -0.26 0.59 0.00 1.12 0.00 0.00 29.99 31.51 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 -4.18 0.41 5.75 -1.25 -4.50 116.55 112.78 2aym n ASP 46 Ca 0.00 0.02 -0.13 0.00 -0.01 0.00 0.00 54.79 54.66 2aym n ASP 46 Cb 0.00 -0.31 -0.10 0.00 -1.03 0.00 0.00 41.12 39.67 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 -2.63 0.91 0.33 2.12 -0.00 -1.26 -1.55 121.20 119.13 2aym s ILE 47 Ca 0.21 -1.76 -0.15 0.00 -0.00 0.00 0.00 60.65 58.96 2aym s ILE 47 Cb 0.16 -1.49 0.03 0.00 -0.00 0.00 0.00 42.46 41.16 2aym s ILE 47 CO 0.38 -0.65 0.68 0.00 -0.00 0.00 0.00 174.94 175.34 2aym s ALA 48 N -2.82 -0.56 0.12 2.27 0.00 -0.43 -3.62 121.76 116.73 2aym s ALA 48 Ca 0.08 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.34 2aym s ALA 48 Cb -0.00 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2aym s ALA 48 CO -0.01 -0.95 -0.17 -0.06 0.00 0.00 0.00 175.76 174.57 2aym s PHE 49 N -3.08 1.62 0.02 0.00 0.40 0.06 -0.68 117.98 116.33 2aym s PHE 49 Ca 0.18 -0.48 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2aym s PHE 49 Cb -0.04 -0.85 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 2aym s PHE 49 CO 0.11 0.21 -0.06 0.08 0.70 0.00 0.00 175.22 176.26 2aym s VAL 50 N -1.73 0.42 -0.01 -0.44 1.01 -0.46 -0.61 120.40 118.58 2aym s VAL 50 Ca 0.09 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2aym s VAL 50 Cb -0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 2aym s VAL 50 CO 0.04 -0.16 -0.04 -0.70 0.00 0.00 0.00 175.10 174.24 2aym s GLU 51 N -0.87 0.37 0.26 2.72 2.12 0.26 -0.67 118.70 122.89 2aym s GLU 51 Ca -0.05 -0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.17 2aym s GLU 51 Cb -0.06 -0.37 -0.06 0.00 0.26 0.00 0.00 34.13 33.91 2aym s GLU 51 CO 0.00 0.08 0.03 -0.06 -0.54 0.00 0.00 175.26 174.76 2aym s PHE 52 N -0.01 1.69 0.04 5.30 0.40 -0.06 -1.26 117.98 124.08 2aym s PHE 52 Ca 0.01 -0.97 -0.20 0.00 -0.60 0.00 0.00 56.93 55.17 2aym s PHE 52 Cb -0.03 -1.02 -0.14 0.00 0.51 0.00 0.00 43.02 42.35 2aym s PHE 52 CO -0.00 -0.06 1.35 1.15 0.70 0.00 0.00 175.22 178.35 2aym h THR 53 N 2.35 1.34 -3.79 0.64 2.02 -0.86 -3.46 112.91 111.16 2aym h THR 53 Ca -0.39 -1.32 -0.19 0.00 0.77 0.00 0.00 66.41 65.28 2aym h THR 53 Cb 1.23 1.86 -0.24 0.00 -1.74 0.00 0.00 68.15 69.26 2aym h THR 53 CO 0.65 0.39 -0.68 0.42 0.37 0.00 0.00 175.52 176.68 2aym s THR 54 N -4.30 0.05 0.34 3.16 -4.23 -1.26 -4.99 115.64 104.41 2aym s THR 54 Ca -0.14 -0.45 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 2aym s THR 54 Cb 0.05 -0.17 0.18 0.00 1.34 0.00 0.00 72.50 73.91 2aym s THR 54 CO 0.76 -0.25 1.91 -0.33 -0.54 0.00 0.00 174.62 176.17 2aym h GLU 55 N 5.33 0.59 -0.03 3.99 3.07 -1.91 -1.68 114.58 123.94 2aym h GLU 55 Ca -0.28 -0.10 -0.15 0.00 -0.50 0.00 0.00 59.36 58.33 2aym h GLU 55 Cb 1.21 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 2aym h GLU 55 CO 0.45 0.55 -0.65 -0.07 -1.40 0.00 0.00 179.01 177.89 2aym h LEU 56 N 0.58 0.15 0.12 1.33 3.38 -1.94 -0.48 115.31 118.44 2aym h LEU 56 Ca 0.13 -0.09 -0.30 0.00 0.09 0.00 0.00 57.88 57.71 2aym h LEU 56 Cb 0.23 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 40.96 2aym h LEU 56 CO -0.00 0.75 -1.26 1.56 0.09 0.00 0.00 178.44 179.57 2aym h GLN 57 N 0.09 0.56 -0.59 1.13 4.20 -1.74 -0.97 115.11 117.80 2aym h GLN 57 Ca -0.01 -0.79 -0.05 0.00 0.06 0.00 0.00 58.65 57.86 2aym h GLN 57 Cb 1.16 0.27 -0.03 0.00 0.30 0.00 0.00 27.48 29.18 2aym h GLN 57 CO 0.09 1.36 0.16 0.66 -0.67 0.00 0.00 178.83 180.43 2aym h SER 58 N 0.23 0.85 -0.24 1.46 4.64 -1.37 -0.74 113.55 118.39 2aym h SER 58 Ca -0.19 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2aym h SER 58 Cb 1.94 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.79 2aym h SER 58 CO 0.24 0.82 0.13 -1.13 -0.87 0.00 0.00 176.83 176.01 2aym h ASN 59 N 0.88 0.20 -0.70 4.97 -1.24 -1.01 0.12 115.58 118.80 2aym h ASN 59 Ca 0.19 0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.24 2aym h ASN 59 Cb 0.29 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 2aym h ASN 59 CO -0.00 0.15 0.44 0.00 -1.29 0.00 0.00 177.43 176.72 2aym h ALA 60 N 1.11 0.91 -0.76 1.57 0.00 -0.88 -1.20 119.26 120.01 2aym h ALA 60 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2aym h ALA 60 Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2aym h ALA 60 CO -0.05 0.22 0.32 0.00 0.00 0.00 0.00 179.25 179.74 2aym h ALA 61 N 1.29 1.13 0.35 0.00 0.00 -0.74 -0.84 119.26 120.45 2aym h ALA 61 Ca 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2aym h ALA 61 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2aym h ALA 61 CO -0.10 0.63 -0.25 -0.22 0.00 0.00 0.00 179.25 179.31 2aym h LYS 62 N 1.10 -0.57 -0.29 0.00 3.64 -0.20 -0.76 116.57 119.50 2aym h LYS 62 Ca 0.26 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 2aym h LYS 62 Cb 0.18 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2aym h LYS 62 CO -0.02 -0.38 0.13 0.93 -2.27 0.00 0.00 179.45 177.83 2aym h GLU 63 N -0.59 0.40 -0.16 1.90 4.39 -0.92 0.23 114.58 119.83 2aym h GLU 63 Ca -0.03 -0.04 -0.20 0.00 0.34 0.00 0.00 59.36 59.43 2aym h GLU 63 Cb 0.51 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2aym h GLU 63 CO 0.01 0.32 -0.70 0.00 -1.16 0.00 0.00 179.01 177.48 2aym h ALA 64 N 1.74 0.46 -0.00 3.43 0.00 -0.89 -3.38 119.26 120.62 2aym h ALA 64 Ca 0.10 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2aym h ALA 64 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2aym h ALA 64 CO -0.01 0.70 -0.10 1.28 0.00 0.00 0.00 179.25 181.13 2aym n LEU 65 N -3.92 1.04 -4.69 0.00 4.77 -0.31 -4.89 117.00 109.00 2aym n LEU 65 Ca -0.06 -0.81 -0.45 0.00 -0.03 0.00 0.00 56.01 54.67 2aym n LEU 65 Cb 0.70 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.75 2aym n LEU 65 CO 0.50 0.22 1.35 0.00 -1.33 0.00 0.00 177.39 178.14 2aym n GLN 66 N -0.21 2.46 -0.75 3.23 6.02 0.04 -1.39 117.38 126.78 2aym n GLN 66 Ca 0.03 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 2aym n GLN 66 Cb 0.13 -2.72 0.00 0.00 1.02 0.00 0.00 30.24 28.67 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 3.90 0.87 3.67 1.08 0.00 0.19 -5.01 105.19 109.89 2aym n GLY 67 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.47 2.37 -0.32 1.61 5.36 -0.48 -4.50 117.98 118.54 2aym s PHE 68 Ca 0.00 0.48 -0.28 0.00 -0.96 0.00 0.00 56.93 56.17 2aym s PHE 68 Cb 0.00 -3.80 -0.03 0.00 -0.34 0.00 0.00 43.02 38.85 2aym s PHE 68 CO 0.00 -3.18 2.02 0.15 -1.46 0.00 0.00 175.22 172.75 2aym s LYS 69 N 3.39 3.09 0.05 10.12 3.01 -1.26 -0.46 119.74 137.68 2aym s LYS 69 Ca 0.68 1.59 -0.19 0.00 -1.01 0.00 0.00 55.97 57.04 2aym s LYS 69 Cb -0.32 -4.31 -0.12 0.00 -1.01 0.00 0.00 37.83 32.06 2aym s LYS 69 CO 0.27 -2.15 1.39 0.82 0.51 0.00 0.00 175.35 176.19 2aym h ILE 70 N 7.03 1.32 -3.64 2.17 2.04 -1.53 -3.45 117.51 121.45 2aym h ILE 70 Ca -0.35 -1.22 -0.30 0.00 1.00 0.00 0.00 64.86 63.99 2aym h ILE 70 Cb 1.20 1.73 -0.15 0.00 -0.74 0.00 0.00 36.82 38.87 2aym h ILE 70 CO 1.03 0.37 -0.68 0.42 0.00 0.00 0.00 178.15 179.29 2aym s THR 71 N -4.47 0.82 0.66 -0.27 -4.23 -1.25 -5.03 115.64 101.87 2aym s THR 71 Ca -0.14 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.56 2aym s THR 71 Cb 0.06 -2.03 0.20 0.00 1.34 0.00 0.00 72.50 72.07 2aym s THR 71 CO 0.76 -0.57 1.57 -0.65 -0.54 0.00 0.00 174.62 175.18 2aym h PRO 72 N 2.72 0.00 0.00 3.99 0.11 -2.00 -0.64 132.00 136.18 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 -2.79 1.03 -3.37 -1.15 -2.24 -1.26 -4.85 114.28 99.64 2aym n THR 73 Ca -0.00 -1.06 -0.26 0.00 -2.27 0.00 0.00 64.05 60.46 2aym n THR 73 Cb 0.65 0.46 -0.09 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 -0.56 0.78 -1.94 4.78 8.25 -0.25 -5.02 115.22 121.26 2aym n HIS 74 Ca 0.01 -3.72 -0.42 0.00 -0.26 0.00 0.00 57.72 53.33 2aym n HIS 74 Cb 0.30 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.19 2.78 -0.23 -1.41 0.00 -1.26 -1.22 121.76 119.24 2aym s ALA 75 Ca 0.34 0.26 -0.39 0.00 0.00 0.00 0.00 51.96 52.17 2aym s ALA 75 Cb 0.11 -4.05 -0.15 0.00 0.00 0.00 0.00 23.12 19.03 2aym s ALA 75 CO -0.12 -2.77 1.72 -0.12 0.00 0.00 0.00 175.76 174.47 2aym n MET 76 N 8.52 1.24 -3.88 0.00 1.56 0.39 -4.73 117.12 120.21 2aym n MET 76 Ca 0.24 0.45 -0.35 0.00 -0.27 0.00 0.00 57.70 57.77 2aym n MET 76 Cb 0.47 -2.15 -0.05 0.00 2.15 0.00 0.00 33.22 33.64 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 3.31 3.45 0.02 2.12 2.20 -0.20 -0.64 119.74 130.00 2aym s LYS 77 Ca 0.97 -0.21 0.03 0.00 -0.36 0.00 0.00 55.97 56.40 2aym s LYS 77 Cb -1.03 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 32.13 2aym s LYS 77 CO 0.63 0.73 -0.09 0.42 -0.36 0.00 0.00 175.35 176.68 2aym s ILE 78 N -1.18 0.66 0.07 5.43 1.01 -1.26 -1.11 121.20 124.83 2aym s ILE 78 Ca 0.21 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 2aym s ILE 78 Cb -0.12 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 2aym s ILE 78 CO 0.11 -0.04 0.13 0.42 0.00 0.00 0.00 174.94 175.57 2aym s THR 79 N -0.67 0.16 0.25 2.92 -4.23 0.02 -4.96 115.64 109.13 2aym s THR 79 Ca -0.01 -1.31 -0.30 0.00 -1.18 0.00 0.00 61.69 58.89 2aym s THR 79 Cb -0.06 -1.34 -0.09 0.00 1.34 0.00 0.00 72.50 72.36 2aym s THR 79 CO 0.00 -0.72 1.11 -0.36 -0.54 0.00 0.00 174.62 174.11 2aym s PHE 80 N -3.74 3.58 0.57 3.99 0.08 -1.22 -0.78 117.98 120.46 2aym s PHE 80 Ca 0.04 1.65 -0.17 0.00 0.12 0.00 0.00 56.93 58.58 2aym s PHE 80 Cb 0.05 -3.29 -0.05 0.00 -0.57 0.00 0.00 43.02 39.16 2aym s PHE 80 CO -0.10 -0.61 1.07 0.00 -0.10 0.00 0.00 175.22 175.48 2aym s ALA 81 N -0.85 2.73 -0.43 5.36 0.00 -0.20 -4.49 121.76 123.88 2aym s ALA 81 Ca 0.46 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.98 2aym s ALA 81 Cb -0.31 -3.27 0.12 0.00 0.00 0.00 0.00 23.12 19.66 2aym s ALA 81 CO 0.39 -0.75 0.18 0.15 0.00 0.00 0.00 175.76 175.73 2aym s LYS 82 N -3.78 1.58 0.00 0.00 1.02 -1.26 -4.81 119.74 112.49 2aym s LYS 82 Ca 0.66 -2.14 0.00 0.00 0.02 0.00 0.00 55.97 54.51 2aym s LYS 82 Cb -0.18 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 2aym s LYS 82 CO 0.32 -1.06 0.37 1.63 -0.92 0.00 0.00 175.35 175.70