#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnt s GLU 2 N 0.00 4.23 -0.09 2.12 0.41 -1.26 -4.87 118.70 119.24 1tnt s GLU 2 Ca 0.00 0.66 -0.30 0.00 -0.41 0.00 0.00 54.97 54.92 1tnt s GLU 2 Cb 0.00 -3.57 0.07 0.00 -1.78 0.00 0.00 34.13 28.85 1tnt s GLU 2 CO 0.00 -0.24 0.69 -1.17 -0.49 0.00 0.00 175.26 174.05 1tnt s LEU 3 N 1.90 -0.67 0.14 1.80 2.96 -1.26 -5.11 118.68 118.44 1tnt s LEU 3 Ca 0.30 0.86 -0.02 0.00 -0.22 0.00 0.00 54.13 55.04 1tnt s LEU 3 Cb -0.16 2.52 -0.04 0.00 0.50 0.00 0.00 46.19 49.02 1tnt s LEU 3 CO 0.11 -0.54 0.10 0.26 -1.32 0.00 0.00 176.35 174.95 1tnt s TRP 4 N -0.89 0.82 0.00 5.38 0.52 -1.26 -2.59 118.94 120.92 1tnt s TRP 4 Ca -0.09 -1.18 0.00 0.00 0.02 0.00 0.00 56.10 54.85 1tnt s TRP 4 Cb -0.01 -0.42 0.00 0.00 -1.15 0.00 0.00 33.47 31.89 1tnt s TRP 4 CO 0.08 -0.56 0.00 0.28 0.02 0.00 0.00 176.95 176.77 1tnt n VAL 5 N -0.13 0.00 -3.51 4.03 0.31 0.80 -4.77 118.33 115.06 1tnt n VAL 5 Ca -0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.14 1tnt n VAL 5 Cb 0.64 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.52 1tnt n VAL 5 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1tnt s SER 6 N 1.00 -0.54 0.13 4.52 0.01 -1.26 -3.70 113.70 113.87 1tnt s SER 6 Ca 0.00 0.43 -0.20 0.00 1.31 0.00 0.00 55.95 57.48 1tnt s SER 6 Cb 0.00 0.47 -0.01 0.00 0.21 0.00 0.00 66.02 66.69 1tnt s SER 6 CO 0.00 -0.61 1.69 -0.65 0.41 0.00 0.00 173.24 174.08 1tnt h PRO 7 N 2.59 -0.07 -0.08 12.44 0.10 -1.94 -0.66 132.00 144.39 1tnt h PRO 7 Ca -0.25 0.00 0.02 0.00 0.10 0.00 0.00 66.00 65.87 1tnt h PRO 7 Cb 1.19 0.02 -0.00 0.00 0.10 0.00 0.00 31.00 32.30 1tnt h PRO 7 CO 0.36 -0.05 0.14 1.57 0.10 0.00 0.00 178.00 180.13 1tnt h LYS 8 N -0.07 0.00 0.00 1.05 2.10 -1.97 0.77 116.57 118.45 1tnt h LYS 8 Ca 0.11 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.63 1tnt h LYS 8 Cb 0.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.54 1tnt h LYS 8 CO -0.24 0.00 -0.91 0.93 -2.00 0.00 0.00 179.45 177.22 1tnt h GLU 9 N 0.00 0.00 0.00 0.07 5.08 -1.54 -3.28 114.58 114.90 1tnt h GLU 9 Ca 0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1tnt h GLU 9 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1tnt h GLU 9 CO -0.00 0.38 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.86 1tnt h LEU 10 N 0.00 0.00 -2.11 1.33 3.38 -0.29 -3.35 115.31 114.28 1tnt h LEU 10 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1tnt h LEU 10 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1tnt h LEU 10 CO 0.05 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.75 1tnt n ALA 11 N -2.17 1.73 -0.72 1.53 0.00 -0.74 -2.29 120.51 117.85 1tnt n ALA 11 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1tnt n ALA 11 Cb 0.61 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1tnt n ALA 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1tnt n ASN 12 N 0.95 0.00 -4.80 0.00 2.04 -1.25 -4.02 115.26 108.19 1tnt n ASN 12 Ca 0.00 -0.28 -0.35 0.00 -0.44 0.00 0.00 54.58 53.51 1tnt n ASN 12 Cb 0.11 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.30 1tnt n ASN 12 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1tnt s LEU 13 N 0.00 4.09 0.02 -4.53 1.43 -0.97 -4.99 118.68 113.74 1tnt s LEU 13 Ca 0.00 1.84 -0.10 0.00 -1.03 0.00 0.00 54.13 54.85 1tnt s LEU 13 Cb 0.00 -4.30 -0.05 0.00 0.03 0.00 0.00 46.19 41.87 1tnt s LEU 13 CO 0.00 -0.35 1.15 1.55 0.23 0.00 0.00 176.35 178.92 1tnt h PRO 14 N 2.38 -0.31 -1.34 1.29 0.13 -1.91 -2.70 132.00 129.54 1tnt h PRO 14 Ca -0.48 0.02 0.41 0.00 -0.87 0.00 0.00 66.00 65.08 1tnt h PRO 14 Cb 1.20 0.07 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 1tnt h PRO 14 CO 0.62 -0.20 0.90 0.78 -0.23 0.00 0.00 178.00 179.87 1tnt h GLY 15 N -0.32 0.89 -4.25 1.56 0.00 -1.94 -3.39 103.07 95.63 1tnt h GLY 15 Ca -0.03 -0.10 -0.58 0.00 0.00 0.00 0.00 47.33 46.63 1tnt h GLY 15 CO 0.03 -0.23 -0.30 1.08 0.00 0.00 0.00 176.54 177.12 1tnt s LEU 16 N -9.09 4.26 0.00 3.11 1.43 -1.02 -5.07 118.68 112.30 1tnt s LEU 16 Ca -0.07 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 1tnt s LEU 16 Cb 0.27 -3.32 0.19 0.00 0.03 0.00 0.00 46.19 43.36 1tnt s LEU 16 CO 0.83 0.05 0.43 -2.65 0.23 0.00 0.00 176.35 175.23 1tnt n PRO 17 N 0.09 -2.19 -0.10 1.29 -0.01 -1.26 -4.38 135.00 128.43 1tnt n PRO 17 Ca -0.02 -0.72 0.10 0.00 -0.01 0.00 0.00 63.50 62.85 1tnt n PRO 17 Cb 0.52 -1.16 0.15 0.00 -0.01 0.00 0.00 33.50 32.99 1tnt n PRO 17 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1tnt n LYS 18 N -2.60 2.11 -4.57 -0.52 5.02 -1.26 -3.77 118.16 112.57 1tnt n LYS 18 Ca 0.07 -1.96 -0.24 0.00 -2.02 0.00 0.00 58.31 54.16 1tnt n LYS 18 Cb 0.30 -1.42 -0.16 0.00 -0.02 0.00 0.00 35.03 33.72 1tnt n LYS 18 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1tnt s THR 19 N -1.47 1.10 0.49 -0.18 -4.23 -1.26 -4.52 115.64 105.58 1tnt s THR 19 Ca 0.29 -0.47 0.25 0.00 -1.18 0.00 0.00 61.69 60.58 1tnt s THR 19 Cb 0.18 -1.00 0.42 0.00 1.34 0.00 0.00 72.50 73.45 1tnt s THR 19 CO 0.26 0.34 1.91 -1.28 -0.54 0.00 0.00 174.62 175.31 1tnt h SER 20 N 6.85 0.15 -0.74 3.99 0.87 -1.86 0.34 113.55 123.16 1tnt h SER 20 Ca -0.32 0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1tnt h SER 20 Cb 1.18 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 63.08 1tnt h SER 20 CO 0.48 0.06 0.49 0.00 -0.53 0.00 0.00 176.83 177.33 1tnt h ALA 21 N 1.62 2.16 0.17 6.23 0.00 -1.94 0.12 119.26 127.61 1tnt h ALA 21 Ca 0.40 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 55.00 1tnt h ALA 21 Cb 1.33 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.09 1tnt h ALA 21 CO -0.06 -0.36 -1.36 0.78 0.00 0.00 0.00 179.25 178.25 1tnt h GLY 22 N 0.37 0.42 0.66 0.00 0.00 -0.73 -2.93 103.07 100.87 1tnt h GLY 22 Ca 0.36 -1.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 1tnt h GLY 22 CO -0.11 0.94 -0.32 -2.08 0.00 0.00 0.00 176.54 174.97 1tnt h VAL 23 N 0.10 0.00 -0.97 4.60 2.07 -0.79 -0.15 116.25 121.11 1tnt h VAL 23 Ca -0.19 -0.26 0.23 0.00 0.82 0.00 0.00 66.70 67.30 1tnt h VAL 23 Cb 2.05 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.70 1tnt h VAL 23 CO 0.23 0.00 0.55 0.40 0.02 0.00 0.00 177.57 178.76 1tnt h ILE 24 N -1.15 0.56 -0.80 4.57 2.04 -1.01 0.78 117.51 122.49 1tnt h ILE 24 Ca -0.09 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1tnt h ILE 24 Cb 0.68 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1tnt h ILE 24 CO 0.15 0.10 0.37 0.22 0.00 0.00 0.00 178.15 178.99 1tnt h TYR 25 N 0.57 1.17 0.00 1.37 3.20 -1.34 -0.92 116.97 121.02 1tnt h TYR 25 Ca 0.61 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.42 1tnt h TYR 25 Cb 1.12 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1tnt h TYR 25 CO -0.04 0.86 0.00 0.28 -1.64 0.00 0.00 178.16 177.62 1tnt n VAL 26 N -4.30 0.34 -0.25 1.81 0.31 0.24 -3.53 118.33 112.94 1tnt n VAL 26 Ca 0.08 0.03 -0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1tnt n VAL 26 Cb 0.15 -0.65 0.22 0.00 -0.91 0.00 0.00 33.84 32.65 1tnt n VAL 26 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1tnt h ALA 27 N 2.79 1.42 0.00 3.52 0.00 0.90 -1.51 119.26 126.38 1tnt h ALA 27 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1tnt h ALA 27 Cb 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1tnt h ALA 27 CO 0.00 0.54 -0.50 1.57 0.00 0.00 0.00 179.25 180.86 1tnt h LYS 28 N 1.09 0.00 0.00 0.00 -0.00 -1.68 2.45 116.57 118.43 1tnt h LYS 28 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.95 1tnt h LYS 28 Cb -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.11 1tnt h LYS 28 CO -0.06 0.50 0.00 1.63 -0.00 0.00 0.00 179.45 181.52 1tnt n LYS 29 N -3.56 0.10 0.18 0.07 4.76 -0.57 -4.14 118.16 115.00 1tnt n LYS 29 Ca -0.00 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1tnt n LYS 29 Cb 0.59 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 1tnt n LYS 29 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1tnt n GLN 30 N -1.22 0.00 -0.44 1.97 3.00 -0.98 -5.10 117.38 114.61 1tnt n GLN 30 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1tnt n GLN 30 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.28 1tnt n GLN 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1tnt n GLY 31 N 0.14 0.91 3.74 1.08 0.00 0.82 -5.03 105.19 106.85 1tnt n GLY 31 Ca 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1tnt n GLY 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1tnt s TRP 32 N -2.28 3.02 -0.76 1.61 0.51 -1.26 -4.79 118.94 115.00 1tnt s TRP 32 Ca 0.00 0.92 -0.29 0.00 -2.12 0.00 0.00 56.10 54.61 1tnt s TRP 32 Cb 0.00 -3.85 -0.15 0.00 -0.81 0.00 0.00 33.47 28.66 1tnt s TRP 32 CO 0.00 -2.87 2.56 0.94 -0.51 0.00 0.00 176.95 177.07 1tnt n GLN 33 N 2.75 0.49 -3.74 4.98 7.27 -1.26 -4.76 117.38 123.11 1tnt n GLN 33 Ca 0.09 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.79 1tnt n GLN 33 Cb 0.40 -2.39 -0.12 0.00 2.41 0.00 0.00 30.24 30.54 1tnt n GLN 33 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1tnt s ASN 34 N 10.41 5.51 -0.21 1.69 2.20 -1.26 -2.37 114.94 130.91 1tnt s ASN 34 Ca 1.18 -0.10 -0.25 0.00 -0.94 0.00 0.00 52.86 52.76 1tnt s ASN 34 Cb -0.77 -2.00 -0.01 0.00 -2.00 0.00 0.00 41.25 36.48 1tnt s ASN 34 CO 0.39 -0.01 0.83 -0.60 -2.94 0.00 0.00 177.10 174.77 1tnt s ARG 35 N 1.47 4.24 0.36 3.55 3.52 -1.22 -4.76 118.95 126.11 1tnt s ARG 35 Ca 0.06 0.97 0.01 0.00 -0.13 0.00 0.00 55.73 56.64 1tnt s ARG 35 Cb -0.15 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 1tnt s ARG 35 CO 0.06 -0.43 0.56 0.99 -0.81 0.00 0.00 175.30 175.67 1tnt s THR 36 N 2.50 4.93 0.35 4.11 2.01 -1.26 -2.27 115.64 126.02 1tnt s THR 36 Ca 0.36 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.85 1tnt s THR 36 Cb -0.16 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.56 1tnt s THR 36 CO 0.10 -0.51 0.48 -0.13 -0.69 0.00 0.00 174.62 173.86 1tnt s ARG 37 N -4.34 1.94 -0.46 4.92 1.81 -0.56 -4.97 118.95 117.29 1tnt s ARG 37 Ca 0.41 -1.80 0.03 0.00 -1.72 0.00 0.00 55.73 52.66 1tnt s ARG 37 Cb -0.10 0.44 0.22 0.00 -0.45 0.00 0.00 34.95 35.07 1tnt s ARG 37 CO 0.36 -0.81 0.91 0.00 -0.68 0.00 0.00 175.30 175.08 1tnt n ALA 38 N -0.58 -2.25 0.00 2.13 0.00 -1.26 -2.16 120.51 116.38 1tnt n ALA 38 Ca 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1tnt n ALA 38 Cb 0.61 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1tnt n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tnt n GLY 39 N 2.28 0.09 0.24 0.00 0.00 -1.26 -4.94 105.19 101.59 1tnt n GLY 39 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1tnt n GLY 39 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1tnt h VAL 40 N 0.00 0.00 0.00 1.61 -1.51 -2.00 -3.41 116.25 110.95 1tnt h VAL 40 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1tnt h VAL 40 Cb 0.00 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 1tnt h VAL 40 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.51 1tnt n LYS 41 N -2.48 0.00 0.00 5.19 4.81 -1.26 -5.11 118.16 119.31 1tnt n LYS 41 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1tnt n LYS 41 Cb 0.22 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.27 1tnt n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tnt n GLY 42 N -1.33 -0.86 0.00 3.14 0.00 -1.26 -5.07 105.19 99.80 1tnt n GLY 42 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1tnt n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tnt n GLY 43 N 0.00 0.00 2.73 -0.02 0.00 -1.26 -5.07 105.19 101.57 1tnt n GLY 43 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1tnt n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tnt n LYS 44 N 0.00 -3.70 -3.01 1.61 5.02 -1.26 -4.87 118.16 111.94 1tnt n LYS 44 Ca 0.00 2.89 -0.43 0.00 -2.02 0.00 0.00 58.31 58.75 1tnt n LYS 44 Cb 0.00 -4.46 -0.06 0.00 -0.02 0.00 0.00 35.03 30.49 1tnt n LYS 44 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tnt s ALA 45 N -0.89 3.36 0.38 7.82 0.00 -0.92 -4.88 121.76 126.64 1tnt s ALA 45 Ca -0.16 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 1tnt s ALA 45 Cb 0.01 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1tnt s ALA 45 CO 0.66 -1.70 0.66 -1.50 0.00 0.00 0.00 175.76 173.88 1tnt s ILE 46 N 3.07 4.97 0.18 0.00 2.07 -1.26 -1.50 121.20 128.73 1tnt s ILE 46 Ca 0.28 0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.56 1tnt s ILE 46 Cb -0.13 -3.81 -0.04 0.00 0.13 0.00 0.00 42.46 38.61 1tnt s ILE 46 CO 0.19 -0.58 0.11 -1.61 -1.91 0.00 0.00 174.94 171.15 1tnt s GLU 47 N -4.16 1.13 -0.04 3.50 0.41 -0.96 -4.76 118.70 113.82 1tnt s GLU 47 Ca 0.45 -1.58 0.01 0.00 -0.41 0.00 0.00 54.97 53.43 1tnt s GLU 47 Cb -0.10 0.26 0.02 0.00 -1.78 0.00 0.00 34.13 32.53 1tnt s GLU 47 CO 0.36 -0.36 -0.03 0.71 -0.49 0.00 0.00 175.26 175.45 1tnt s TYR 48 N -4.13 0.65 -0.37 1.61 2.02 -1.24 -3.41 117.35 112.48 1tnt s TYR 48 Ca 0.35 -0.16 -0.29 0.00 -0.37 0.00 0.00 57.07 56.60 1tnt s TYR 48 Cb 0.07 -0.62 0.01 0.00 -0.40 0.00 0.00 41.96 41.02 1tnt s TYR 48 CO 0.09 -0.19 1.36 1.21 -1.57 0.00 0.00 175.55 176.45 1tnt s ASN 49 N 1.00 6.49 0.50 2.29 3.84 -1.00 -0.14 114.94 127.93 1tnt s ASN 49 Ca -0.10 0.98 0.21 0.00 0.21 0.00 0.00 52.86 54.16 1tnt s ASN 49 Cb -0.14 -2.54 1.28 0.00 -0.55 0.00 0.00 41.25 39.30 1tnt s ASN 49 CO -0.01 -1.28 1.99 0.00 -2.79 0.00 0.00 177.10 175.01 1tnt h ALA 50 N 10.04 2.34 0.00 1.71 0.00 -1.80 0.25 119.26 131.80 1tnt h ALA 50 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1tnt h ALA 50 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1tnt h ALA 50 CO 1.07 -0.49 0.00 -0.91 0.00 0.00 0.00 179.25 178.92 1tnt h ASN 51 N 0.13 0.00 0.73 0.00 2.35 -1.90 -1.99 115.58 114.90 1tnt h ASN 51 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1tnt h ASN 51 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1tnt h ASN 51 CO -0.03 0.00 -0.87 -1.20 -1.65 0.00 0.00 177.43 173.67 1tnt n SER 52 N -2.66 0.69 -4.76 5.81 7.64 0.87 -4.91 113.62 116.31 1tnt n SER 52 Ca 0.01 0.06 -0.36 0.00 1.01 0.00 0.00 58.87 59.58 1tnt n SER 52 Cb 0.22 0.48 0.02 0.00 -1.01 0.00 0.00 64.21 63.92 1tnt n SER 52 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1tnt s LEU 53 N -4.38 3.75 0.00 -3.43 1.43 -0.75 -4.92 118.68 110.38 1tnt s LEU 53 Ca 0.04 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 1tnt s LEU 53 Cb 0.13 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.82 1tnt s LEU 53 CO 0.77 -1.37 0.00 -0.81 0.23 0.00 0.00 176.35 175.17 1tnt n PRO 54 N -1.31 1.48 -0.06 1.29 -0.04 -1.26 -4.81 135.00 130.29 1tnt n PRO 54 Ca 0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 1tnt n PRO 54 Cb 0.50 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.83 1tnt n PRO 54 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1tnt n VAL 55 N -0.67 1.65 -0.26 0.52 0.31 -1.26 -3.66 118.33 114.96 1tnt n VAL 55 Ca 0.00 -0.62 -0.05 0.00 -0.01 0.00 0.00 64.34 63.66 1tnt n VAL 55 Cb 0.00 -1.58 0.06 0.00 -0.91 0.00 0.00 33.84 31.41 1tnt n VAL 55 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1tnt h GLU 56 N 0.04 0.96 0.00 5.55 5.08 -2.01 -0.21 114.58 123.98 1tnt h GLU 56 Ca -0.49 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1tnt h GLU 56 Cb 1.98 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1tnt h GLU 56 CO 0.01 0.63 0.00 0.00 -1.00 0.00 0.00 179.01 178.65 1tnt n ALA 57 N -2.30 2.11 0.00 3.43 0.00 -1.26 -3.09 120.51 119.40 1tnt n ALA 57 Ca 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1tnt n ALA 57 Cb 0.02 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.06 1tnt n ALA 57 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1tnt h LYS 58 N 0.00 -0.00 -0.95 0.00 1.63 -1.11 -0.31 116.57 115.82 1tnt h LYS 58 Ca 0.00 0.00 0.26 0.00 -0.85 0.00 0.00 60.65 60.06 1tnt h LYS 58 Cb 0.49 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 31.99 1tnt h LYS 58 CO 0.00 -0.00 0.48 0.00 -3.45 0.00 0.00 179.45 176.48 1tnt h ALA 59 N -1.99 1.65 -0.30 5.00 0.00 -1.58 1.05 119.26 123.09 1tnt h ALA 59 Ca -0.00 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1tnt h ALA 59 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1tnt h ALA 59 CO 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 179.25 178.66 1tnt h ALA 60 N 1.76 1.09 -0.67 0.00 0.00 -1.64 -2.60 119.26 117.20 1tnt h ALA 60 Ca 0.63 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1tnt h ALA 60 Cb 1.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1tnt h ALA 60 CO -0.55 0.56 0.19 1.25 0.00 0.00 0.00 179.25 180.70 1tnt h LEU 61 N 0.50 0.98 -1.20 0.00 5.85 0.29 -2.23 115.31 119.50 1tnt h LEU 61 Ca 0.08 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1tnt h LEU 61 Cb 0.62 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 1tnt h LEU 61 CO 0.04 0.92 0.56 -0.07 -0.34 0.00 0.00 178.44 179.56 1tnt h LEU 62 N 1.00 0.84 -1.27 2.25 3.38 -0.77 0.94 115.31 121.69 1tnt h LEU 62 Ca 0.22 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1tnt h LEU 62 Cb 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1tnt h LEU 62 CO -0.00 0.53 -0.16 -0.07 0.09 0.00 0.00 178.44 178.83 1tnt h LEU 63 N 0.95 0.29 0.21 1.67 3.38 -1.32 -3.22 115.31 117.26 1tnt h LEU 63 Ca 0.38 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1tnt h LEU 63 Cb 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1tnt h LEU 63 CO -0.14 0.47 -0.10 0.03 0.09 0.00 0.00 178.44 178.79 1tnt h ARG 64 N 0.28 -0.27 -6.94 1.13 2.47 -0.70 -3.44 114.38 106.90 1tnt h ARG 64 Ca 0.05 0.02 -0.54 0.00 -1.26 0.00 0.00 59.98 58.25 1tnt h ARG 64 Cb 0.46 0.06 0.10 0.00 -1.65 0.00 0.00 29.97 28.94 1tnt h ARG 64 CO 0.03 -0.18 0.74 -0.65 0.56 0.00 0.00 179.97 180.47 1tnt s GLN 65 N -2.46 4.10 0.00 0.04 -1.52 -0.17 -4.69 119.66 114.96 1tnt s GLN 65 Ca -0.04 2.49 0.00 0.00 -1.95 0.00 0.00 55.36 55.86 1tnt s GLN 65 Cb 0.00 -2.94 0.00 0.00 -0.22 0.00 0.00 33.01 29.85 1tnt s GLN 65 CO 0.12 -0.51 0.00 0.41 -0.25 0.00 0.00 175.29 175.07 1tnt n GLY 66 N 0.53 -1.33 2.44 3.09 0.00 -1.26 -4.80 105.19 103.86 1tnt n GLY 66 Ca 0.01 0.56 -0.32 0.00 0.00 0.00 0.00 46.02 46.27 1tnt n GLY 66 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1tnt n GLU 67 N 0.00 3.02 -0.07 1.61 0.28 -1.26 -4.33 120.64 119.89 1tnt n GLU 67 Ca 0.00 -1.89 -0.22 0.00 -0.16 0.00 0.00 57.16 54.89 1tnt n GLU 67 Cb 0.00 -2.66 -0.12 0.00 1.43 0.00 0.00 31.44 30.09 1tnt n GLU 67 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1tnt n ILE 68 N 3.85 1.63 -0.06 3.84 -5.35 -1.26 -4.64 119.36 117.37 1tnt n ILE 68 Ca 0.64 -0.42 -0.06 0.00 -0.27 0.00 0.00 62.75 62.64 1tnt n ILE 68 Cb 0.19 -1.80 -0.09 0.00 -1.74 0.00 0.00 39.64 36.21 1tnt n ILE 68 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1tnt n GLU 69 N -3.83 1.95 0.00 6.28 0.00 -1.26 -5.09 120.64 118.69 1tnt n GLU 69 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.79 1tnt n GLU 69 Cb 0.91 -1.29 0.00 0.00 0.00 0.00 0.00 31.44 31.06 1tnt n GLU 69 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1tnt n THR 70 N -2.48 0.00 -3.43 6.31 -1.04 -1.26 -5.17 114.28 107.22 1tnt n THR 70 Ca -0.19 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.83 1tnt n THR 70 Cb 0.86 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.33 1tnt n THR 70 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1tnt s SER 71 N 2.00 -0.37 -1.32 8.00 0.01 -1.26 -4.34 113.70 116.42 1tnt s SER 71 Ca 0.00 0.53 -0.16 0.00 1.31 0.00 0.00 55.95 57.63 1tnt s SER 71 Cb 0.00 1.34 -0.00 0.00 0.21 0.00 0.00 66.02 67.57 1tnt s SER 71 CO 0.00 -0.08 2.17 0.18 0.41 0.00 0.00 173.24 175.92 1tnt n LEU 72 N 4.37 6.31 -0.96 2.44 7.99 -1.26 -4.70 117.00 131.19 1tnt n LEU 72 Ca -0.11 -3.89 0.00 0.00 -0.01 0.00 0.00 56.01 52.00 1tnt n LEU 72 Cb 0.55 -1.55 0.00 0.00 -0.11 0.00 0.00 43.42 42.31 1tnt n LEU 72 CO -0.02 0.81 0.44 0.61 -1.51 0.00 0.00 177.39 177.73 1tnt n GLY 73 N 4.19 1.81 0.00 -0.72 0.00 -1.26 -4.24 105.19 104.97 1tnt n GLY 73 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1tnt n GLY 73 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tnt n TYR 74 N 0.50 0.00 -1.84 1.61 4.01 -1.26 -4.96 117.16 115.22 1tnt n TYR 74 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1tnt n TYR 74 Cb 0.44 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.43 1tnt n TYR 74 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1tnt n PHE 75 N -1.00 0.00 -0.33 -0.72 7.35 -1.26 -5.32 117.46 116.18 1tnt n PHE 75 Ca 0.00 -0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 1tnt n PHE 75 Cb 0.00 0.27 0.00 0.00 0.35 0.00 0.00 39.48 40.10 1tnt n PHE 75 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39