#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hrr n ALA 2 N 0.00 1.21 -1.51 -0.43 0.00 -1.26 -4.71 120.51 113.81 1hrr n ALA 2 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 1hrr n ALA 2 Cb 0.00 -2.64 0.10 0.00 0.00 0.00 0.00 19.45 16.91 1hrr n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1hrr s PRO 3 N 5.21 1.96 0.11 0.00 0.04 -1.26 -4.98 135.00 136.09 1hrr s PRO 3 Ca 0.99 0.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 1hrr s PRO 3 Cb -0.62 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 1hrr s PRO 3 CO 0.46 -1.71 1.68 0.00 0.04 0.00 0.00 177.00 177.47 1hrr h ALA 4 N -1.16 0.31 -0.12 8.56 0.00 -1.99 -2.93 119.26 121.94 1hrr h ALA 4 Ca -0.47 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 1hrr h ALA 4 Cb 1.27 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1hrr h ALA 4 CO 0.59 -0.13 -0.15 0.27 0.00 0.00 0.00 179.25 179.83 1hrr n ASN 5 N -4.83 5.55 -4.75 0.00 6.94 -1.26 -4.89 115.26 112.02 1hrr n ASN 5 Ca -0.03 -2.63 -0.40 0.00 -0.02 0.00 0.00 54.58 51.50 1hrr n ASN 5 Cb 0.10 -1.33 -0.05 0.00 -2.36 0.00 0.00 39.78 36.14 1hrr n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hrr s ALA 6 N 0.21 3.35 -0.34 -2.53 0.00 -1.11 0.30 121.76 121.65 1hrr s ALA 6 Ca 0.54 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 1hrr s ALA 6 Cb 0.28 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1hrr s ALA 6 CO -0.04 0.08 1.59 0.08 0.00 0.00 0.00 175.76 177.47 1hrr s VAL 7 N -0.22 3.71 0.41 0.00 1.01 0.37 -4.80 120.40 120.88 1hrr s VAL 7 Ca 0.40 0.74 -0.23 0.00 0.00 0.00 0.00 61.98 62.89 1hrr s VAL 7 Cb -0.22 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 1hrr s VAL 7 CO 0.25 -0.53 1.03 0.00 0.00 0.00 0.00 175.10 175.85 1hrr s ALA 8 N 5.91 3.06 0.29 5.51 0.00 -1.26 -4.80 121.76 130.47 1hrr s ALA 8 Ca 0.70 0.64 0.04 0.00 0.00 0.00 0.00 51.96 53.34 1hrr s ALA 8 Cb -0.19 -3.25 0.73 0.00 0.00 0.00 0.00 23.12 20.41 1hrr s ALA 8 CO 0.32 -0.15 1.70 0.00 0.00 0.00 0.00 175.76 177.63 1hrr h ALA 9 N 2.37 1.45 -0.46 0.00 0.00 -1.94 -0.46 119.26 120.22 1hrr h ALA 9 Ca -0.48 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1hrr h ALA 9 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1hrr h ALA 9 CO 0.62 -0.32 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 1hrr n ASP 10 N -5.02 4.02 -4.68 0.00 5.75 -1.26 -4.38 116.55 110.97 1hrr n ASP 10 Ca 0.22 -2.48 -0.36 0.00 -0.01 0.00 0.00 54.79 52.16 1hrr n ASP 10 Cb 0.65 -0.56 0.09 0.00 -1.03 0.00 0.00 41.12 40.27 1hrr n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1hrr n ASP 11 N 0.65 1.32 -0.08 -1.12 2.03 -0.18 -4.83 116.55 114.34 1hrr n ASP 11 Ca 0.20 0.72 -0.12 0.00 0.52 0.00 0.00 54.79 56.10 1hrr n ASP 11 Cb 0.80 -1.50 -0.05 0.00 -0.72 0.00 0.00 41.12 39.65 1hrr n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hrr h ALA 12 N -0.07 0.33 -0.74 -1.67 0.00 -1.92 0.10 119.26 115.29 1hrr h ALA 12 Ca -0.49 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 1hrr h ALA 12 Cb 1.33 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1hrr h ALA 12 CO 0.49 0.20 0.44 1.15 0.00 0.00 0.00 179.25 181.53 1hrr h THR 13 N 0.21 1.21 -0.38 0.00 2.02 -1.96 -0.61 112.91 113.41 1hrr h THR 13 Ca 0.05 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.76 1hrr h THR 13 Cb 0.65 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1hrr h THR 13 CO 0.04 0.23 0.21 0.00 0.37 0.00 0.00 175.52 176.36 1hrr h ALA 14 N 1.23 0.47 0.03 6.16 0.00 -1.71 0.18 119.26 125.62 1hrr h ALA 14 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1hrr h ALA 14 Cb -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1hrr h ALA 14 CO -0.05 -0.14 -0.18 0.82 0.00 0.00 0.00 179.25 179.70 1hrr h ILE 15 N 0.42 0.57 -1.00 0.00 2.04 -0.45 0.53 117.51 119.62 1hrr h ILE 15 Ca 0.15 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.16 1hrr h ILE 15 Cb 0.03 0.57 -0.09 0.00 -0.74 0.00 0.00 36.82 36.59 1hrr h ILE 15 CO -0.09 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.68 1hrr h ALA 16 N 0.58 1.55 -0.01 1.87 0.00 -0.67 -0.53 119.26 122.06 1hrr h ALA 16 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hrr h ALA 16 Cb 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hrr h ALA 16 CO -0.15 0.13 -0.18 1.28 0.00 0.00 0.00 179.25 180.33 1hrr n LEU 17 N -4.68 0.77 -4.09 0.00 4.77 0.01 -4.93 117.00 108.85 1hrr n LEU 17 Ca 0.20 -0.14 -0.29 0.00 -0.03 0.00 0.00 56.01 55.76 1hrr n LEU 17 Cb 0.43 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1hrr n LEU 17 CO 0.25 0.14 -0.23 0.29 -1.33 0.00 0.00 177.39 176.52 1hrr n LYS 18 N -0.78 -2.83 -2.21 3.23 4.76 0.16 -0.76 118.16 119.73 1hrr n LYS 18 Ca 0.13 0.34 -0.33 0.00 -2.87 0.00 0.00 58.31 55.58 1hrr n LYS 18 Cb 0.31 -4.50 -0.00 0.00 -1.84 0.00 0.00 35.03 29.00 1hrr n LYS 18 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1hrr s TYR 19 N -3.87 2.98 0.03 2.13 6.14 0.29 -4.19 117.35 120.86 1hrr s TYR 19 Ca 0.18 1.53 0.02 0.00 0.64 0.00 0.00 57.07 59.44 1hrr s TYR 19 Cb -0.10 -3.04 -0.02 0.00 0.42 0.00 0.00 41.96 39.22 1hrr s TYR 19 CO 0.92 -1.05 -0.07 1.21 0.64 0.00 0.00 175.55 177.20 1hrr s ASN 20 N -2.49 0.75 0.25 4.32 2.47 -0.04 -4.80 114.94 115.39 1hrr s ASN 20 Ca 0.65 -0.49 -0.06 0.00 0.42 0.00 0.00 52.86 53.38 1hrr s ASN 20 Cb -0.16 0.03 0.27 0.00 -1.45 0.00 0.00 41.25 39.94 1hrr s ASN 20 CO 0.31 -0.19 1.89 1.56 -3.72 0.00 0.00 177.10 176.95 1hrr h GLN 21 N 4.68 1.23 -4.47 0.43 4.20 -1.87 -0.91 115.11 118.39 1hrr h GLN 21 Ca -0.34 -0.12 -0.70 0.00 0.06 0.00 0.00 58.65 57.54 1hrr h GLN 21 Cb 1.20 -0.25 -0.33 0.00 0.30 0.00 0.00 27.48 28.40 1hrr h GLN 21 CO 0.42 0.87 -0.53 0.16 -0.67 0.00 0.00 178.83 179.08 1hrr s ASP 22 N -6.24 5.33 0.45 1.46 -4.77 -1.26 -1.55 116.67 110.09 1hrr s ASP 22 Ca -0.12 -1.93 0.23 0.00 -3.30 0.00 0.00 52.55 47.42 1hrr s ASP 22 Cb 0.17 -1.86 1.23 0.00 -1.09 0.00 0.00 42.92 41.37 1hrr s ASP 22 CO 0.82 -0.55 1.84 0.00 0.70 0.00 0.00 175.17 177.98 1hrr h ALA 23 N 8.13 2.45 -0.96 2.11 0.00 -0.98 -0.63 119.26 129.38 1hrr h ALA 23 Ca -0.15 0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.04 1hrr h ALA 23 Cb 1.05 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.68 1hrr h ALA 23 CO 0.72 -0.75 0.05 0.25 0.00 0.00 0.00 179.25 179.52 1hrr n THR 24 N -4.45 -0.40 1.10 0.00 -2.24 -1.26 -0.74 114.28 106.28 1hrr n THR 24 Ca 0.21 2.10 0.12 0.00 -2.27 0.00 0.00 64.05 64.21 1hrr n THR 24 Cb 0.85 -3.10 0.16 0.00 -2.10 0.00 0.00 70.33 66.14 1hrr n THR 24 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1hrr n LYS 25 N -5.41 1.76 -1.51 -0.78 4.81 -0.25 -4.95 118.16 111.83 1hrr n LYS 25 Ca 0.24 -1.38 -0.34 0.00 -0.87 0.00 0.00 58.31 55.96 1hrr n LYS 25 Cb 0.78 -1.47 0.08 0.00 0.02 0.00 0.00 35.03 34.43 1hrr n LYS 25 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1hrr s SER 26 N -2.19 4.48 0.00 3.14 0.15 0.08 -4.91 113.70 114.45 1hrr s SER 26 Ca 0.26 2.20 0.08 0.00 0.70 0.00 0.00 55.95 59.20 1hrr s SER 26 Cb 0.20 -2.57 0.51 0.00 -1.71 0.00 0.00 66.02 62.44 1hrr s SER 26 CO 0.41 -2.06 0.97 -1.84 1.20 0.00 0.00 173.24 171.92 1hrr n GLU 27 N -2.71 0.53 -0.34 5.44 0.00 -1.26 -4.17 120.64 118.12 1hrr n GLU 27 Ca 0.12 0.00 0.23 0.00 0.00 0.00 0.00 57.16 57.51 1hrr n GLU 27 Cb 0.51 -1.25 0.46 0.00 0.00 0.00 0.00 31.44 31.16 1hrr n GLU 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1hrr h ARG 28 N 0.00 0.39 -0.73 3.44 0.11 -1.91 0.42 114.38 116.10 1hrr h ARG 28 Ca 0.00 -0.02 0.06 0.00 0.10 0.00 0.00 59.98 60.11 1hrr h ARG 28 Cb 0.00 -0.09 -0.06 0.00 1.11 0.00 0.00 29.97 30.94 1hrr h ARG 28 CO 0.00 0.26 0.43 0.28 0.10 0.00 0.00 179.97 181.04 1hrr h VAL 29 N 0.40 1.00 -0.21 0.08 2.07 -1.87 0.32 116.25 118.04 1hrr h VAL 29 Ca 0.70 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.86 1hrr h VAL 29 Cb 1.57 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1hrr h VAL 29 CO -0.52 0.14 -0.21 0.00 0.02 0.00 0.00 177.57 177.00 1hrr h ALA 30 N 1.36 0.30 -0.88 1.67 0.00 -0.58 -3.22 119.26 117.92 1hrr h ALA 30 Ca 0.32 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1hrr h ALA 30 Cb 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1hrr h ALA 30 CO -0.17 0.25 0.50 0.00 0.00 0.00 0.00 179.25 179.83 1hrr h ALA 31 N 0.65 1.12 -7.02 0.00 0.00 -0.64 -3.47 119.26 109.90 1hrr h ALA 31 Ca 0.03 -0.12 -0.61 0.00 0.00 0.00 0.00 54.91 54.21 1hrr h ALA 31 Cb 0.77 -0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1hrr h ALA 31 CO 0.05 0.61 -1.00 0.00 0.00 0.00 0.00 179.25 178.92 1hrr n ALA 32 N -2.39 -2.34 -1.49 0.00 0.00 0.11 -4.89 120.51 109.51 1hrr n ALA 32 Ca 0.09 -0.52 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 1hrr n ALA 32 Cb 0.08 -1.77 0.09 0.00 0.00 0.00 0.00 19.45 17.85 1hrr n ALA 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hrr s ARG 33 N -7.45 2.25 0.42 0.00 1.81 -1.26 -4.95 118.95 109.77 1hrr s ARG 33 Ca 0.27 1.91 -0.25 0.00 -1.72 0.00 0.00 55.73 55.94 1hrr s ARG 33 Cb -0.15 -1.83 -0.08 0.00 -0.45 0.00 0.00 34.95 32.44 1hrr s ARG 33 CO 0.99 -1.79 1.17 -1.25 -0.68 0.00 0.00 175.30 173.74 1hrr s PRO 34 N -3.69 3.98 0.00 3.54 0.04 -1.26 -4.46 135.00 133.15 1hrr s PRO 34 Ca 0.78 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1hrr s PRO 34 Cb -0.33 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1hrr s PRO 34 CO 0.43 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.50 1hrr n GLY 35 N 0.58 2.33 3.24 0.56 0.00 -1.26 -4.48 105.19 106.17 1hrr n GLY 35 Ca 0.05 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 1hrr n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hrr s LEU 36 N 0.00 1.37 0.38 0.99 2.96 -1.26 -5.02 118.68 118.10 1hrr s LEU 36 Ca 0.00 -1.03 -0.25 0.00 -0.22 0.00 0.00 54.13 52.63 1hrr s LEU 36 Cb 0.00 0.76 -0.09 0.00 0.50 0.00 0.00 46.19 47.36 1hrr s LEU 36 CO 0.00 -0.81 1.11 -2.16 -1.32 0.00 0.00 176.35 173.17 1hrr s PRO 37 N -4.00 4.17 0.29 0.98 0.04 -1.26 -4.77 135.00 130.45 1hrr s PRO 37 Ca 0.20 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.98 1hrr s PRO 37 Cb 0.05 -2.68 0.72 0.00 0.04 0.00 0.00 34.50 32.62 1hrr s PRO 37 CO 0.01 -0.18 1.72 -1.00 0.04 0.00 0.00 177.00 177.59 1hrr h PRO 38 N 2.73 0.50 -0.86 0.56 0.13 -1.89 0.02 132.00 133.19 1hrr h PRO 38 Ca -0.48 -0.03 0.22 0.00 -0.87 0.00 0.00 66.00 64.83 1hrr h PRO 38 Cb 1.22 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 1hrr h PRO 38 CO 0.63 0.33 0.59 0.93 -0.23 0.00 0.00 178.00 180.25 1hrr h GLU 39 N 0.52 0.22 -0.34 0.86 3.07 -1.93 0.68 114.58 117.66 1hrr h GLU 39 Ca 0.56 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1hrr h GLU 39 Cb 0.99 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1hrr h GLU 39 CO -0.47 0.15 0.00 0.39 -1.40 0.00 0.00 179.01 177.68 1hrr n GLU 40 N -4.42 2.33 -2.57 2.33 -0.58 -0.02 -4.90 120.64 112.81 1hrr n GLU 40 Ca 0.18 -2.14 -0.43 0.00 -0.42 0.00 0.00 57.16 54.35 1hrr n GLU 40 Cb 0.77 -1.45 -0.02 0.00 -0.57 0.00 0.00 31.44 30.17 1hrr n GLU 40 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1hrr s GLN 41 N -1.36 4.25 0.21 3.49 -0.21 0.23 -4.87 119.66 121.40 1hrr s GLN 41 Ca 0.34 1.48 -0.20 0.00 0.02 0.00 0.00 55.36 57.00 1hrr s GLN 41 Cb 0.20 -3.69 0.04 0.00 1.00 0.00 0.00 33.01 30.56 1hrr s GLN 41 CO 0.28 -0.66 0.60 -3.38 -2.12 0.00 0.00 175.29 170.01 1hrr s HIS 42 N 3.30 -0.28 0.37 0.91 -3.43 -1.26 -4.81 115.29 110.09 1hrr s HIS 42 Ca 0.48 -0.05 0.14 0.00 -0.80 0.00 0.00 55.06 54.84 1hrr s HIS 42 Cb -0.18 0.54 0.99 0.00 -1.43 0.00 0.00 32.58 32.50 1hrr s HIS 42 CO 0.10 -0.98 1.78 0.00 -2.00 0.00 0.00 174.74 173.64 1hrr h ALA 44 N 1.64 1.87 -0.18 0.00 0.00 -0.85 0.26 119.26 122.00 1hrr h ALA 44 Ca 0.57 0.24 -0.13 0.00 0.00 0.00 0.00 54.91 55.60 1hrr h ALA 44 Cb 1.27 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.25 1hrr h ALA 44 CO -0.31 -0.70 -0.57 0.27 0.00 0.00 0.00 179.25 177.93 1hrr n ASN 45 N -5.20 2.47 -4.68 0.00 6.94 -0.03 -5.01 115.26 109.74 1hrr n ASN 45 Ca 0.32 -3.87 -0.37 0.00 -0.02 0.00 0.00 54.58 50.64 1hrr n ASN 45 Cb 1.04 -0.49 -0.08 0.00 -2.36 0.00 0.00 39.78 37.89 1hrr n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hrr n GLN 47 N 4.13 -0.09 0.00 0.00 -0.06 0.77 -0.90 117.38 121.23 1hrr n GLN 47 Ca -0.12 1.47 0.16 0.00 -2.00 0.00 0.00 57.00 56.50 1hrr n GLN 47 Cb 0.52 -2.19 0.88 0.00 -4.06 0.00 0.00 30.24 25.38 1hrr n GLN 47 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1hrr n PHE 48 N -5.53 0.00 -2.26 3.69 3.72 -1.26 -4.85 117.46 110.97 1hrr n PHE 48 Ca 0.15 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.17 1hrr n PHE 48 Cb 0.47 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 38.96 1hrr n PHE 48 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1hrr s MET 49 N -2.08 3.85 -0.12 -1.08 1.75 -0.08 -0.71 119.30 120.84 1hrr s MET 49 Ca 0.44 1.81 0.01 0.00 -1.25 0.00 0.00 55.69 56.70 1hrr s MET 49 Cb 0.22 -2.50 0.02 0.00 2.84 0.00 0.00 34.83 35.41 1hrr s MET 49 CO 0.38 -0.48 -0.12 -0.65 -0.65 0.00 0.00 175.02 173.49 1hrr s GLN 50 N -2.56 1.98 0.14 4.11 -0.21 0.68 -4.88 119.66 118.90 1hrr s GLN 50 Ca 0.61 -0.45 0.22 0.00 0.02 0.00 0.00 55.36 55.76 1hrr s GLN 50 Cb -0.30 -1.81 -0.09 0.00 1.00 0.00 0.00 33.01 31.82 1hrr s GLN 50 CO 0.36 -0.17 0.89 0.00 -2.12 0.00 0.00 175.29 174.26 1hrr n ALA 51 N 4.56 2.51 0.22 6.09 0.00 -1.26 -0.64 120.51 131.99 1hrr n ALA 51 Ca -0.17 -0.34 0.10 0.00 0.00 0.00 0.00 53.44 53.04 1hrr n ALA 51 Cb 0.51 -1.01 0.49 0.00 0.00 0.00 0.00 19.45 19.44 1hrr n ALA 51 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1hrr n ASP 52 N -2.61 0.51 -4.56 0.00 5.75 -1.26 -4.66 116.55 109.72 1hrr n ASP 52 Ca -0.02 0.70 -0.34 0.00 -0.01 0.00 0.00 54.79 55.11 1hrr n ASP 52 Cb 0.59 -0.78 -0.04 0.00 -1.03 0.00 0.00 41.12 39.86 1hrr n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hrr s ALA 53 N -3.41 2.12 -0.19 2.12 0.00 -1.25 -4.93 121.76 116.22 1hrr s ALA 53 Ca 0.00 -1.37 -0.40 0.00 0.00 0.00 0.00 51.96 50.19 1hrr s ALA 53 Cb 0.07 -4.44 -0.16 0.00 0.00 0.00 0.00 23.12 18.58 1hrr s ALA 53 CO 0.23 -4.17 1.62 0.00 0.00 0.00 0.00 175.76 173.45 1hrr n ALA 54 N 12.21 -0.52 0.00 0.00 0.00 -1.26 -0.54 120.51 130.40 1hrr n ALA 54 Ca 0.29 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.16 1hrr n ALA 54 Cb 0.49 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1hrr n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hrr n GLY 55 N 3.72 1.30 3.51 0.00 0.00 -1.26 -5.08 105.19 107.38 1hrr n GLY 55 Ca 0.25 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.78 1hrr n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hrr n ALA 56 N -0.10 -1.69 -3.29 4.61 0.00 0.29 -5.00 120.51 115.33 1hrr n ALA 56 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1hrr n ALA 56 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1hrr n ALA 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1hrr n THR 57 N 0.65 0.00 0.08 0.00 -2.24 0.10 -4.99 114.28 107.89 1hrr n THR 57 Ca 0.15 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.86 1hrr n THR 57 Cb 0.25 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 1hrr n THR 57 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1hrr h ASP 58 N 0.00 -0.62 0.50 3.42 5.19 -1.95 -2.50 116.42 120.45 1hrr h ASP 58 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1hrr h ASP 58 Cb 0.00 0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1hrr h ASP 58 CO 0.00 -0.25 -0.17 -0.62 -3.12 0.00 0.00 179.24 175.09 1hrr n GLU 59 N -3.65 0.44 -4.59 3.56 4.71 -1.26 -4.89 120.64 114.95 1hrr n GLU 59 Ca -0.04 -0.16 -0.33 0.00 -0.01 0.00 0.00 57.16 56.62 1hrr n GLU 59 Cb 0.18 -1.50 -0.16 0.00 -1.01 0.00 0.00 31.44 28.95 1hrr n GLU 59 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1hrr s TRP 60 N -2.67 2.70 0.38 -0.32 0.52 -0.94 -0.58 118.94 118.04 1hrr s TRP 60 Ca 0.23 -1.32 0.04 0.00 0.02 0.00 0.00 56.10 55.06 1hrr s TRP 60 Cb 0.19 -1.84 -0.05 0.00 -1.15 0.00 0.00 33.47 30.63 1hrr s TRP 60 CO 0.53 -0.61 0.07 0.15 0.02 0.00 0.00 176.95 177.11 1hrr s LYS 61 N 0.86 1.84 0.53 4.98 3.01 0.14 -0.72 119.74 130.39 1hrr s LYS 61 Ca -0.06 -2.08 -0.02 0.00 -1.01 0.00 0.00 55.97 52.80 1hrr s LYS 61 Cb -0.15 -0.94 0.01 0.00 -1.01 0.00 0.00 37.83 35.74 1hrr s LYS 61 CO -0.03 -0.29 0.79 0.20 0.51 0.00 0.00 175.35 176.53 1hrr s GLY 62 N -3.60 1.63 -0.04 -3.33 0.00 0.19 -0.14 107.32 102.02 1hrr s GLY 62 Ca 0.28 -0.96 -0.00 0.00 0.00 0.00 0.00 44.72 44.04 1hrr s GLY 62 CO 0.14 -0.71 0.00 0.00 0.00 0.00 0.00 173.10 172.52 1hrr h GLN 64 N 7.59 0.14 -0.90 0.00 4.20 -1.26 0.21 115.11 125.10 1hrr h GLN 64 Ca -0.34 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.34 1hrr h GLN 64 Cb 1.13 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1hrr h GLN 64 CO 0.39 0.09 0.03 1.47 -0.67 0.00 0.00 178.83 180.15 1hrr n LEU 65 N -5.21 2.62 -3.16 1.46 -0.00 -1.26 -4.28 117.00 107.16 1hrr n LEU 65 Ca 0.07 -1.33 -0.22 0.00 -0.00 0.00 0.00 56.01 54.53 1hrr n LEU 65 Cb 0.29 -0.56 -0.04 0.00 -0.00 0.00 0.00 43.42 43.11 1hrr n LEU 65 CO 0.15 0.41 -0.16 0.33 -0.00 0.00 0.00 177.39 178.12 1hrr n PHE 66 N 0.15 0.97 -2.23 1.47 -0.00 0.75 -5.12 117.46 113.46 1hrr n PHE 66 Ca 0.09 -3.82 -0.37 0.00 -0.00 0.00 0.00 57.45 53.36 1hrr n PHE 66 Cb 0.57 -0.43 -0.00 0.00 -0.00 0.00 0.00 39.48 39.62 1hrr n PHE 66 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1hrr s PRO 67 N -2.33 3.68 0.00 -7.13 0.04 -1.26 -3.48 135.00 124.52 1hrr s PRO 67 Ca 0.40 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1hrr s PRO 67 Cb 0.28 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1hrr s PRO 67 CO -0.09 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1hrr n GLY 68 N 0.44 1.19 3.87 0.56 0.00 -1.26 -4.92 105.19 105.06 1hrr n GLY 68 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1hrr n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hrr s LYS 69 N 0.00 2.06 -0.05 1.61 1.02 -1.23 -4.89 119.74 118.27 1hrr s LYS 69 Ca 0.00 0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.30 1hrr s LYS 69 Cb 0.00 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.37 1hrr s LYS 69 CO 0.00 -1.56 -0.13 -0.51 -0.92 0.00 0.00 175.35 172.23 1hrr s LEU 70 N -5.62 1.75 0.35 3.17 1.43 0.15 -4.60 118.68 115.30 1hrr s LEU 70 Ca 0.61 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1hrr s LEU 70 Cb -0.12 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 1hrr s LEU 70 CO 0.51 0.08 0.59 0.27 0.23 0.00 0.00 176.35 178.02 1hrr s ILE 71 N 0.41 5.05 0.03 -0.59 -0.00 0.80 -0.48 121.20 126.40 1hrr s ILE 71 Ca -0.10 -0.17 -0.24 0.00 -0.00 0.00 0.00 60.65 60.14 1hrr s ILE 71 Cb -0.14 -3.82 -0.05 0.00 -0.00 0.00 0.00 42.46 38.46 1hrr s ILE 71 CO 0.03 -0.52 0.74 0.21 -0.00 0.00 0.00 174.94 175.40 1hrr s ASN 72 N -3.73 7.16 0.36 4.36 3.84 -1.26 -0.68 114.94 124.99 1hrr s ASN 72 Ca 0.43 1.38 0.13 0.00 0.21 0.00 0.00 52.86 55.00 1hrr s ASN 72 Cb -0.10 -2.45 0.93 0.00 -0.55 0.00 0.00 41.25 39.08 1hrr s ASN 72 CO 0.35 0.01 1.80 -0.37 -2.79 0.00 0.00 177.10 176.11 1hrr h VAL 73 N 4.20 0.66 0.00 -5.21 -1.51 -1.17 0.14 116.25 113.36 1hrr h VAL 73 Ca -0.44 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 1hrr h VAL 73 Cb 1.20 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1hrr h VAL 73 CO 0.71 0.10 0.00 0.59 -1.23 0.00 0.00 177.57 177.75 1hrr n ASN 74 N -4.64 0.00 -2.71 4.19 3.02 -1.26 -0.21 115.26 113.64 1hrr n ASN 74 Ca 0.22 0.10 -0.10 0.00 -0.03 0.00 0.00 54.58 54.77 1hrr n ASN 74 Cb 0.68 -0.33 0.07 0.00 -0.61 0.00 0.00 39.78 39.58 1hrr n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hrr n GLY 75 N 0.47 -0.87 3.41 7.41 0.00 0.49 -0.52 105.19 115.58 1hrr n GLY 75 Ca 0.09 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 1hrr n GLY 75 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1hrr s TRP 76 N -1.81 -0.46 0.17 1.61 -0.00 -0.35 -0.14 118.94 117.97 1hrr s TRP 76 Ca 0.26 0.47 -0.02 0.00 -0.00 0.00 0.00 56.10 56.81 1hrr s TRP 76 Cb -0.01 0.39 -0.04 0.00 -0.00 0.00 0.00 33.47 33.81 1hrr s TRP 76 CO 0.18 -0.69 0.12 0.00 -0.00 0.00 0.00 176.95 176.56 1hrr h ALA 78 N 2.71 1.30 0.00 0.00 0.00 -1.11 0.02 119.26 122.18 1hrr h ALA 78 Ca -0.35 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1hrr h ALA 78 Cb 1.23 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1hrr h ALA 78 CO 0.55 -0.19 0.00 0.43 0.00 0.00 0.00 179.25 180.04 1hrr n SER 79 N -4.94 0.00 -4.57 0.00 7.64 -1.26 -4.83 113.62 105.65 1hrr n SER 79 Ca 0.18 0.36 -0.59 0.00 1.01 0.00 0.00 58.87 59.83 1hrr n SER 79 Cb 0.50 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 1hrr n SER 79 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1hrr n TRP 80 N -1.40 1.09 -3.76 1.43 -0.00 -0.01 -4.96 117.44 109.83 1hrr n TRP 80 Ca 0.02 0.95 -0.13 0.00 -0.00 0.00 0.00 57.50 58.34 1hrr n TRP 80 Cb 0.06 -2.19 -0.14 0.00 -0.00 0.00 0.00 31.31 29.05 1hrr n TRP 80 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1hrr s THR 81 N 0.78 -0.04 0.07 5.87 2.01 -1.26 -4.89 115.64 118.18 1hrr s THR 81 Ca 0.92 0.14 -0.33 0.00 0.31 0.00 0.00 61.69 62.73 1hrr s THR 81 Cb -1.22 -0.27 -0.12 0.00 0.01 0.00 0.00 72.50 70.90 1hrr s THR 81 CO 0.59 0.06 1.79 -0.11 -0.69 0.00 0.00 174.62 176.26 1hrr n LEU 82 N 3.98 3.66 -4.62 4.42 0.00 -1.26 -0.16 117.00 123.02 1hrr n LEU 82 Ca -0.24 1.00 -0.43 0.00 0.00 0.00 0.00 56.01 56.35 1hrr n LEU 82 Cb 0.53 -1.47 -0.03 0.00 0.00 0.00 0.00 43.42 42.46 1hrr n LEU 82 CO 0.18 0.00 1.73 -0.75 0.00 0.00 0.00 177.39 178.55 1hrr s LYS 83 N 2.73 3.42 -0.41 1.96 2.20 0.07 -4.28 119.74 125.43 1hrr s LYS 83 Ca 0.84 2.08 0.07 0.00 -0.36 0.00 0.00 55.97 58.61 1hrr s LYS 83 Cb -0.58 -4.29 0.23 0.00 -1.51 0.00 0.00 37.83 31.68 1hrr s LYS 83 CO 0.42 -1.77 0.54 0.00 -0.36 0.00 0.00 175.35 174.17 1hrr n ALA 84 N 10.41 1.94 0.00 3.13 0.00 -1.26 -4.88 120.51 129.84 1hrr n ALA 84 Ca 0.26 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.66 1hrr n ALA 84 Cb 0.44 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91