#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hrr s ALA 2 N 0.00 -1.95 0.72 -0.43 0.00 -1.26 -5.02 121.76 113.82 1hrr s ALA 2 Ca 0.00 1.41 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 1hrr s ALA 2 Cb 0.00 -2.11 0.03 0.00 0.00 0.00 0.00 23.12 21.04 1hrr s ALA 2 CO 0.00 -1.42 1.10 -1.25 0.00 0.00 0.00 175.76 174.19 1hrr s PRO 3 N 2.76 2.50 0.16 0.00 0.04 -1.26 -4.95 135.00 134.26 1hrr s PRO 3 Ca 0.17 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 1hrr s PRO 3 Cb -0.14 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1hrr s PRO 3 CO -0.21 -1.46 1.81 0.00 0.04 0.00 0.00 177.00 177.17 1hrr h ALA 4 N -0.64 0.51 0.00 8.56 0.00 -2.01 -2.11 119.26 123.56 1hrr h ALA 4 Ca -0.45 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1hrr h ALA 4 Cb 1.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1hrr h ALA 4 CO 0.53 -0.06 -0.13 0.27 0.00 0.00 0.00 179.25 179.85 1hrr n ASN 5 N -4.83 5.30 -4.83 0.00 6.94 -1.26 -4.90 115.26 111.68 1hrr n ASN 5 Ca 0.01 -2.43 -0.33 0.00 -0.02 0.00 0.00 54.58 51.81 1hrr n ASN 5 Cb 0.04 -1.22 -0.06 0.00 -2.36 0.00 0.00 39.78 36.17 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 0.34 3.23 -0.40 -2.53 0.00 -0.80 0.39 121.76 121.99 1hrr s ALA 6 Ca 0.23 0.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 1hrr s ALA 6 Cb 0.11 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.32 1hrr s ALA 6 CO 0.00 0.25 1.11 0.08 0.00 0.00 0.00 175.76 177.20 1hrr s VAL 7 N -1.98 4.35 0.31 0.00 1.01 0.57 -4.73 120.40 119.93 1hrr s VAL 7 Ca 0.56 1.46 -0.22 0.00 0.00 0.00 0.00 61.98 63.78 1hrr s VAL 7 Cb -0.11 -4.51 -0.09 0.00 0.00 0.00 0.00 36.38 31.66 1hrr s VAL 7 CO 0.17 -0.76 0.85 0.00 0.00 0.00 0.00 175.10 175.36 1hrr s ALA 8 N 4.07 3.26 0.26 5.51 0.00 -1.26 -4.81 121.76 128.79 1hrr s ALA 8 Ca 0.47 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1hrr s ALA 8 Cb -0.10 -3.01 0.53 0.00 0.00 0.00 0.00 23.12 20.54 1hrr s ALA 8 CO 0.24 0.24 1.77 0.00 0.00 0.00 0.00 175.76 178.01 1hrr h ALA 9 N 2.91 1.30 -0.38 0.00 0.00 -1.96 -1.01 119.26 120.12 1hrr h ALA 9 Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1hrr h ALA 9 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1hrr h ALA 9 CO 0.64 -0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 1hrr n ASP 10 N -4.84 2.11 -4.71 0.00 5.75 -1.26 -4.37 116.55 109.23 1hrr n ASP 10 Ca 0.17 -2.03 -0.37 0.00 -0.01 0.00 0.00 54.79 52.55 1hrr n ASP 10 Cb 0.42 -0.27 0.07 0.00 -1.03 0.00 0.00 41.12 40.30 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 0.60 1.89 -0.18 -1.12 -0.08 -0.38 -4.82 116.55 112.45 1hrr n ASP 11 Ca 0.13 0.82 -0.10 0.00 -1.51 0.00 0.00 54.79 54.13 1hrr n ASP 11 Cb 0.34 -1.54 0.01 0.00 2.34 0.00 0.00 41.12 42.28 1hrr n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hrr h ALA 12 N 0.48 0.71 -0.31 -1.67 0.00 -1.92 0.10 119.26 116.64 1hrr h ALA 12 Ca -0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 1hrr h ALA 12 Cb 1.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1hrr h ALA 12 CO 0.52 0.56 0.18 1.15 0.00 0.00 0.00 179.25 181.66 1hrr h THR 13 N 0.82 1.13 -0.38 0.00 2.02 -1.95 -0.27 112.91 114.28 1hrr h THR 13 Ca 0.14 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1hrr h THR 13 Cb 0.59 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1hrr h THR 13 CO 0.04 0.13 0.19 0.00 0.37 0.00 0.00 175.52 176.25 1hrr h ALA 14 N 1.05 0.47 -0.13 6.16 0.00 -1.68 0.31 119.26 125.45 1hrr h ALA 14 Ca 0.11 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1hrr h ALA 14 Cb 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1hrr h ALA 14 CO -0.02 -0.17 -0.10 0.82 0.00 0.00 0.00 179.25 179.79 1hrr h ILE 15 N 0.39 0.72 -0.97 0.00 2.04 -0.58 0.44 117.51 119.55 1hrr h ILE 15 Ca 0.16 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.16 1hrr h ILE 15 Cb 0.07 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 1hrr h ILE 15 CO -0.11 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.65 1hrr h ALA 16 N 0.99 1.62 -0.00 1.87 0.00 -0.27 -0.49 119.26 122.99 1hrr h ALA 16 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1hrr h ALA 16 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hrr h ALA 16 CO -0.19 0.12 -0.21 1.28 0.00 0.00 0.00 179.25 180.24 1hrr n LEU 17 N -4.62 0.35 -4.02 0.00 4.77 0.03 -4.93 117.00 108.58 1hrr n LEU 17 Ca 0.19 0.15 -0.28 0.00 -0.03 0.00 0.00 56.01 56.04 1hrr n LEU 17 Cb 0.41 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1hrr n LEU 17 CO 0.27 0.08 -0.19 0.29 -1.33 0.00 0.00 177.39 176.51 1hrr n LYS 18 N -1.31 -3.28 -2.43 3.23 4.76 0.13 -0.73 118.16 118.53 1hrr n LYS 18 Ca 0.09 0.39 -0.36 0.00 -2.87 0.00 0.00 58.31 55.56 1hrr n LYS 18 Cb 0.32 -4.66 -0.03 0.00 -1.84 0.00 0.00 35.03 28.83 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 -3.81 3.06 0.05 2.13 6.14 0.35 -4.09 117.35 121.19 1hrr s TYR 19 Ca 0.19 1.59 0.04 0.00 0.64 0.00 0.00 57.07 59.53 1hrr s TYR 19 Cb -0.10 -3.21 -0.02 0.00 0.42 0.00 0.00 41.96 39.04 1hrr s TYR 19 CO 0.90 -1.01 -0.12 1.21 0.64 0.00 0.00 175.55 177.17 1hrr s ASN 20 N -1.57 1.41 0.24 4.32 2.47 -0.08 -4.76 114.94 116.97 1hrr s ASN 20 Ca 0.62 -0.53 0.08 0.00 0.42 0.00 0.00 52.86 53.45 1hrr s ASN 20 Cb -0.23 -0.04 0.24 0.00 -1.45 0.00 0.00 41.25 39.77 1hrr s ASN 20 CO 0.29 -0.07 1.55 -0.61 -3.72 0.00 0.00 177.10 174.53 1hrr h GLN 21 N 4.59 0.08 -4.31 0.43 -0.00 -1.89 -0.83 115.11 113.18 1hrr h GLN 21 Ca -0.38 -0.06 -0.71 0.00 -0.00 0.00 0.00 58.65 57.49 1hrr h GLN 21 Cb 1.19 0.01 -0.32 0.00 0.00 0.00 0.00 27.48 28.37 1hrr h GLN 21 CO 0.42 0.72 -0.43 0.16 0.00 0.00 0.00 178.83 179.70 1hrr s ASP 22 N -6.86 5.54 0.49 -0.69 -4.77 -1.26 -1.91 116.67 107.21 1hrr s ASP 22 Ca -0.02 -2.04 0.25 0.00 -3.30 0.00 0.00 52.55 47.45 1hrr s ASP 22 Cb 0.12 -1.94 1.31 0.00 -1.09 0.00 0.00 42.92 41.32 1hrr s ASP 22 CO 0.78 -0.62 1.90 0.00 0.70 0.00 0.00 175.17 177.93 1hrr h ALA 23 N 8.20 2.54 -0.93 2.11 0.00 -0.96 -0.08 119.26 130.14 1hrr h ALA 23 Ca -0.16 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.04 1hrr h ALA 23 Cb 1.06 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.70 1hrr h ALA 23 CO 0.79 -0.79 0.19 0.25 0.00 0.00 0.00 179.25 179.70 1hrr n THR 24 N -4.38 -0.39 0.08 0.00 -2.24 -1.26 -0.70 114.28 105.38 1hrr n THR 24 Ca 0.17 1.99 0.10 0.00 -2.27 0.00 0.00 64.05 64.05 1hrr n THR 24 Cb 0.80 -3.02 0.21 0.00 -2.10 0.00 0.00 70.33 66.22 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 -5.28 2.45 -1.46 -0.78 4.81 -0.05 -4.96 118.16 112.89 1hrr n LYS 25 Ca 0.27 -2.24 -0.32 0.00 -0.87 0.00 0.00 58.31 55.15 1hrr n LYS 25 Cb 0.89 -1.46 0.07 0.00 0.02 0.00 0.00 35.03 34.56 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 -1.24 4.73 0.00 3.14 0.15 0.12 -4.93 113.70 115.68 1hrr s SER 26 Ca 0.36 1.91 0.10 0.00 0.70 0.00 0.00 55.95 59.02 1hrr s SER 26 Cb 0.20 -2.53 0.59 0.00 -1.71 0.00 0.00 66.02 62.57 1hrr s SER 26 CO 0.28 -1.88 1.04 -1.84 1.20 0.00 0.00 173.24 172.04 1hrr n GLU 27 N -3.06 0.52 -0.34 5.44 0.00 -1.26 -4.19 120.64 117.74 1hrr n GLU 27 Ca 0.10 0.00 0.20 0.00 0.00 0.00 0.00 57.16 57.45 1hrr n GLU 27 Cb 0.53 -1.30 0.42 0.00 0.00 0.00 0.00 31.44 31.08 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 0.49 -0.69 3.44 0.11 -1.92 0.37 114.38 116.19 1hrr h ARG 28 Ca 0.00 -0.03 0.04 0.00 0.10 0.00 0.00 59.98 60.09 1hrr h ARG 28 Cb 0.00 -0.11 -0.05 0.00 1.11 0.00 0.00 29.97 30.92 1hrr h ARG 28 CO 0.00 0.33 0.42 0.28 0.10 0.00 0.00 179.97 181.09 1hrr h VAL 29 N 0.51 1.06 -0.22 0.08 2.07 -1.88 0.30 116.25 118.16 1hrr h VAL 29 Ca 0.66 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.85 1hrr h VAL 29 Cb 1.36 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1hrr h VAL 29 CO -0.49 0.15 -0.09 0.00 0.02 0.00 0.00 177.57 177.16 1hrr h ALA 30 N 1.31 0.31 -0.69 1.67 0.00 -0.67 -3.17 119.26 118.03 1hrr h ALA 30 Ca 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1hrr h ALA 30 Cb 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1hrr h ALA 30 CO -0.13 0.14 0.34 0.00 0.00 0.00 0.00 179.25 179.59 1hrr h ALA 31 N 0.72 0.88 -7.01 0.00 0.00 -0.74 -3.47 119.26 109.64 1hrr h ALA 31 Ca 0.05 -0.14 -0.60 0.00 0.00 0.00 0.00 54.91 54.23 1hrr h ALA 31 Cb 0.57 -0.27 -0.12 0.00 0.00 0.00 0.00 17.79 17.97 1hrr h ALA 31 CO 0.03 0.44 -0.97 0.00 0.00 0.00 0.00 179.25 178.75 1hrr n ALA 32 N -2.36 -2.25 -1.71 0.00 0.00 0.10 -4.89 120.51 109.39 1hrr n ALA 32 Ca 0.05 -0.49 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 1hrr n ALA 32 Cb 0.12 -1.55 0.03 0.00 0.00 0.00 0.00 19.45 18.05 1hrr n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hrr n ARG 33 N -4.73 1.75 -1.75 0.00 1.74 -1.26 -4.97 116.66 107.45 1hrr n ARG 33 Ca -0.22 0.63 -0.34 0.00 -0.77 0.00 0.00 57.85 57.15 1hrr n ARG 33 Cb 0.62 -2.46 0.05 0.00 -1.02 0.00 0.00 32.46 29.65 1hrr n ARG 33 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hrr s PRO 34 N -2.56 2.68 0.00 5.56 0.04 -1.26 -4.45 135.00 135.00 1hrr s PRO 34 Ca 0.67 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1hrr s PRO 34 Cb -0.46 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1hrr s PRO 34 CO 0.53 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.60 1hrr n GLY 35 N 0.00 2.46 3.34 0.56 0.00 -1.26 -4.79 105.19 105.50 1hrr n GLY 35 Ca 0.12 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 0.86 0.50 0.99 2.96 -1.26 -5.04 118.68 117.68 1hrr s LEU 36 Ca 0.00 -0.73 -0.21 0.00 -0.22 0.00 0.00 54.13 52.97 1hrr s LEU 36 Cb 0.00 1.36 -0.07 0.00 0.50 0.00 0.00 46.19 47.98 1hrr s LEU 36 CO 0.00 -0.89 1.15 -2.16 -1.32 0.00 0.00 176.35 173.14 1hrr s PRO 37 N -3.92 3.58 0.26 0.98 0.04 -1.26 -4.76 135.00 129.92 1hrr s PRO 37 Ca 0.13 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 1hrr s PRO 37 Cb 0.03 -2.24 0.55 0.00 0.04 0.00 0.00 34.50 32.88 1hrr s PRO 37 CO -0.03 -0.68 1.74 -1.00 0.04 0.00 0.00 177.00 177.06 1hrr h PRO 38 N 1.68 0.50 0.00 0.56 0.13 -1.87 0.02 132.00 133.03 1hrr h PRO 38 Ca -0.50 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1hrr h PRO 38 Cb 1.25 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1hrr h PRO 38 CO 0.59 0.33 -0.04 0.93 -0.23 0.00 0.00 178.00 179.58 1hrr h GLU 39 N 0.52 0.00 -0.70 0.86 4.39 -1.93 0.20 114.58 117.92 1hrr h GLU 39 Ca 0.47 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.76 1hrr h GLU 39 Cb 0.73 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.14 1hrr h GLU 39 CO -0.41 0.04 0.22 0.39 -1.16 0.00 0.00 179.01 178.09 1hrr n GLU 40 N -3.70 2.30 -3.57 2.33 -0.58 -0.02 -4.84 120.64 112.57 1hrr n GLU 40 Ca -0.03 -3.27 -0.38 0.00 -0.42 0.00 0.00 57.16 53.07 1hrr n GLU 40 Cb 0.13 -2.06 -0.10 0.00 -0.57 0.00 0.00 31.44 28.84 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 -3.41 3.99 0.15 3.49 -0.21 0.70 -4.79 119.66 119.59 1hrr s GLN 41 Ca 0.53 -0.24 -0.24 0.00 0.02 0.00 0.00 55.36 55.42 1hrr s GLN 41 Cb 0.45 -3.63 0.06 0.00 1.00 0.00 0.00 33.01 30.89 1hrr s GLN 41 CO 0.03 -0.14 0.77 -3.38 -2.12 0.00 0.00 175.29 170.45 1hrr s HIS 42 N 1.65 -0.31 0.33 0.91 -3.43 -1.26 -4.81 115.29 108.37 1hrr s HIS 42 Ca 0.09 0.03 0.11 0.00 -0.80 0.00 0.00 55.06 54.49 1hrr s HIS 42 Cb -0.15 0.61 0.94 0.00 -1.43 0.00 0.00 32.58 32.55 1hrr s HIS 42 CO 0.09 -0.88 1.72 0.00 -2.00 0.00 0.00 174.74 173.67 1hrr n ALA 44 N -2.32 0.36 -2.14 0.00 0.00 0.49 -0.91 120.51 115.99 1hrr n ALA 44 Ca 0.28 0.94 -0.26 0.00 0.00 0.00 0.00 53.44 54.40 1hrr n ALA 44 Cb 0.80 -0.64 0.02 0.00 0.00 0.00 0.00 19.45 19.63 1hrr n ALA 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1hrr n ASN 45 N -5.32 4.99 -4.85 0.00 6.94 0.00 -5.04 115.26 111.99 1hrr n ASN 45 Ca 0.18 -3.74 -0.37 0.00 -0.02 0.00 0.00 54.58 50.63 1hrr n ASN 45 Cb 0.59 -0.41 -0.06 0.00 -2.36 0.00 0.00 39.78 37.54 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 2.15 1.68 0.00 0.00 -0.06 0.40 -3.00 117.38 118.55 1hrr n GLN 47 Ca -0.18 0.60 0.00 0.00 -2.00 0.00 0.00 57.00 55.41 1hrr n GLN 47 Cb 0.54 -2.15 0.00 0.00 -4.06 0.00 0.00 30.24 24.58 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 1.29 0.00 -1.50 3.69 3.72 -1.26 -4.85 117.46 118.54 1hrr n PHE 48 Ca 0.11 0.00 -0.58 0.00 -0.05 0.00 0.00 57.45 56.93 1hrr n PHE 48 Cb 0.30 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.77 1hrr n PHE 48 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1hrr n MET 49 N 0.00 0.06 -3.86 -1.08 1.56 -1.16 -4.44 117.12 108.19 1hrr n MET 49 Ca 0.00 0.02 -0.36 0.00 -0.27 0.00 0.00 57.70 57.09 1hrr n MET 49 Cb 0.00 -1.50 -0.13 0.00 2.15 0.00 0.00 33.22 33.73 1hrr n MET 49 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1hrr s GLN 50 N -0.03 3.52 0.04 2.12 -0.21 0.14 -4.92 119.66 120.32 1hrr s GLN 50 Ca 0.89 -0.55 0.14 0.00 0.02 0.00 0.00 55.36 55.86 1hrr s GLN 50 Cb -1.24 -3.15 -0.17 0.00 1.00 0.00 0.00 33.01 29.45 1hrr s GLN 50 CO 0.56 -0.17 0.84 0.00 -2.12 0.00 0.00 175.29 174.40 1hrr h ALA 51 N 8.10 0.68 0.00 6.09 0.00 -1.92 0.26 119.26 132.47 1hrr h ALA 51 Ca -0.40 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.43 1hrr h ALA 51 Cb 1.17 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1hrr h ALA 51 CO 0.59 1.20 0.00 0.38 0.00 0.00 0.00 179.25 181.43 1hrr h ASP 52 N 0.00 0.00 -1.40 0.00 2.03 -1.96 -3.45 116.42 111.64 1hrr h ASP 52 Ca -0.19 0.00 -0.76 0.00 -0.73 0.00 0.00 57.03 55.35 1hrr h ASP 52 Cb 1.76 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 40.29 1hrr h ASP 52 CO 0.07 0.00 0.67 0.00 -1.03 0.00 0.00 179.24 178.94 1hrr n ALA 53 N -1.83 -1.00 -1.66 4.15 0.00 -1.25 -4.83 120.51 114.09 1hrr n ALA 53 Ca 0.01 0.46 -0.49 0.00 0.00 0.00 0.00 53.44 53.42 1hrr n ALA 53 Cb 0.20 -2.08 -0.05 0.00 0.00 0.00 0.00 19.45 17.52 1hrr n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hrr n ALA 54 N 4.03 0.61 -0.09 0.00 0.00 -1.26 -0.59 120.51 123.22 1hrr n ALA 54 Ca 0.25 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1hrr n ALA 54 Cb 0.10 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.22 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 3.64 0.71 3.71 0.00 0.00 -1.26 -5.04 105.19 106.95 1hrr n GLY 55 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.41 1.81 -2.68 4.61 0.00 0.25 -4.94 120.51 118.14 1hrr n ALA 56 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1hrr n ALA 56 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 1.73 0.00 0.10 0.00 -2.24 0.44 -4.98 114.28 109.33 1hrr n THR 57 Ca 0.09 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.71 1hrr n THR 57 Cb 0.35 -0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 67.81 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 -1.60 0.39 3.42 5.19 -2.01 -3.33 116.42 118.48 1hrr h ASP 58 Ca 0.00 0.17 -0.18 0.00 -0.62 0.00 0.00 57.03 56.40 1hrr h ASP 58 Cb 0.00 0.60 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 1hrr h ASP 58 CO 0.00 -0.55 -1.77 -0.62 -3.12 0.00 0.00 179.24 173.18 1hrr n GLU 59 N -5.48 0.65 -4.10 3.56 4.71 -1.26 -4.90 120.64 113.82 1hrr n GLU 59 Ca -0.08 0.08 -0.35 0.00 -0.01 0.00 0.00 57.16 56.80 1hrr n GLU 59 Cb 0.41 -1.68 -0.13 0.00 -1.01 0.00 0.00 31.44 29.04 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 -2.94 3.03 0.26 -0.32 0.52 -1.25 -0.63 118.94 117.60 1hrr s TRP 60 Ca -0.06 -0.48 0.01 0.00 0.02 0.00 0.00 56.10 55.60 1hrr s TRP 60 Cb 0.09 -2.07 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 1hrr s TRP 60 CO 0.84 -0.25 0.13 0.15 0.02 0.00 0.00 176.95 177.84 1hrr s LYS 61 N 0.97 1.43 -0.76 4.98 3.01 0.36 -0.42 119.74 129.32 1hrr s LYS 61 Ca 0.01 -1.79 -0.14 0.00 -1.01 0.00 0.00 55.97 53.05 1hrr s LYS 61 Cb -0.14 -0.10 0.20 0.00 -1.01 0.00 0.00 37.83 36.77 1hrr s LYS 61 CO 0.02 -0.37 0.70 0.20 0.51 0.00 0.00 175.35 176.40 1hrr s GLY 62 N -3.30 2.54 -0.15 -3.33 0.00 0.08 -0.20 107.32 102.95 1hrr s GLY 62 Ca 0.37 -3.16 -0.34 0.00 0.00 0.00 0.00 44.72 41.59 1hrr s GLY 62 CO 0.15 1.24 1.94 0.00 0.00 0.00 0.00 173.10 176.43 1hrr h GLN 64 N 9.93 0.01 0.00 0.00 -0.00 -1.89 0.63 115.11 123.79 1hrr h GLN 64 Ca -0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 1hrr h GLN 64 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.76 1hrr h GLN 64 CO 0.96 0.04 0.00 -0.11 0.00 0.00 0.00 178.83 179.72 1hrr n LEU 65 N -4.50 0.00 -3.58 -2.39 7.94 -1.26 -4.51 117.00 108.69 1hrr n LEU 65 Ca -0.03 0.47 -0.27 0.00 -1.11 0.00 0.00 56.01 55.07 1hrr n LEU 65 Cb 0.12 -0.47 -0.10 0.00 0.53 0.00 0.00 43.42 43.50 1hrr n LEU 65 CO 0.34 -0.12 -0.03 0.33 -1.11 0.00 0.00 177.39 176.81 1hrr n PHE 66 N -1.47 2.80 -1.97 1.96 -0.00 0.21 -5.09 117.46 113.90 1hrr n PHE 66 Ca 0.06 -4.10 -0.40 0.00 -0.00 0.00 0.00 57.45 53.01 1hrr n PHE 66 Cb 0.25 -0.50 -0.00 0.00 -0.00 0.00 0.00 39.48 39.22 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 -1.79 3.97 0.00 -7.13 0.04 -1.26 -3.09 135.00 125.74 1hrr s PRO 67 Ca 0.33 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1hrr s PRO 67 Cb 0.07 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1hrr s PRO 67 CO -0.10 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.82 1hrr n GLY 68 N 0.64 0.94 3.85 0.56 0.00 -1.26 -4.93 105.19 105.00 1hrr n GLY 68 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 1.84 -0.06 1.61 -0.14 -1.18 -4.90 119.74 116.91 1hrr s LYS 69 Ca 0.00 0.26 0.02 0.00 -1.36 0.00 0.00 55.97 54.89 1hrr s LYS 69 Cb 0.00 -1.92 0.01 0.00 -1.68 0.00 0.00 37.83 34.24 1hrr s LYS 69 CO 0.00 -1.71 -0.13 -0.51 -0.76 0.00 0.00 175.35 172.24 1hrr s LEU 70 N -5.71 1.67 0.72 3.17 1.43 0.16 -4.59 118.68 115.53 1hrr s LEU 70 Ca 0.62 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 53.32 1hrr s LEU 70 Cb -0.12 -0.84 0.05 0.00 0.03 0.00 0.00 46.19 45.30 1hrr s LEU 70 CO 0.51 0.04 1.06 0.27 0.23 0.00 0.00 176.35 178.47 1hrr s ILE 71 N 0.62 2.58 -0.08 -0.59 -5.25 0.72 -0.31 121.20 118.89 1hrr s ILE 71 Ca -0.14 -0.03 -0.16 0.00 -0.99 0.00 0.00 60.65 59.33 1hrr s ILE 71 Cb -0.16 -3.14 -0.05 0.00 2.95 0.00 0.00 42.46 42.06 1hrr s ILE 71 CO 0.04 -0.17 0.42 0.21 -1.79 0.00 0.00 174.94 173.65 1hrr s ASN 72 N -4.48 6.69 0.39 4.36 3.84 -1.26 -0.49 114.94 124.00 1hrr s ASN 72 Ca 0.59 0.82 0.18 0.00 0.21 0.00 0.00 52.86 54.67 1hrr s ASN 72 Cb -0.11 -2.26 1.10 0.00 -0.55 0.00 0.00 41.25 39.43 1hrr s ASN 72 CO 0.47 0.15 1.76 -0.37 -2.79 0.00 0.00 177.10 176.32 1hrr h VAL 73 N 4.31 0.50 0.00 -5.21 -1.51 -1.22 0.13 116.25 113.25 1hrr h VAL 73 Ca -0.45 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1hrr h VAL 73 Cb 1.19 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1hrr h VAL 73 CO 0.70 0.07 0.00 0.59 -1.23 0.00 0.00 177.57 177.70 1hrr n ASN 74 N -4.66 0.00 -3.93 4.19 3.02 -1.26 -0.38 115.26 112.24 1hrr n ASN 74 Ca 0.26 -0.31 -0.26 0.00 -0.03 0.00 0.00 54.58 54.23 1hrr n ASN 74 Cb 0.89 -0.18 0.18 0.00 -0.61 0.00 0.00 39.78 40.06 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 0.61 -1.01 3.29 7.41 0.00 0.46 -0.52 105.19 115.44 1hrr n GLY 75 Ca 0.14 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.56 -0.24 0.18 1.61 -0.00 -0.32 -0.18 118.94 116.42 1hrr s TRP 76 Ca 0.69 0.30 0.00 0.00 -0.00 0.00 0.00 56.10 57.10 1hrr s TRP 76 Cb -0.02 0.16 -0.04 0.00 -0.00 0.00 0.00 33.47 33.57 1hrr s TRP 76 CO 0.48 -0.48 0.06 0.00 -0.00 0.00 0.00 176.95 177.00 1hrr h ALA 78 N 2.69 1.29 -0.73 0.00 0.00 -1.08 -2.11 119.26 119.33 1hrr h ALA 78 Ca -0.36 0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.70 1hrr h ALA 78 Cb 1.22 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1hrr h ALA 78 CO 0.60 0.18 0.48 0.77 0.00 0.00 0.00 179.25 181.28 1hrr h SER 79 N 0.90 0.43 0.00 0.00 0.02 -1.96 -3.43 113.55 109.52 1hrr h SER 79 Ca 0.43 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1hrr h SER 79 Cb 0.36 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1hrr h SER 79 CO -0.24 0.24 0.00 1.87 -1.14 0.00 0.00 176.83 177.56 1hrr n TRP 80 N -4.48 0.00 -0.36 3.45 -0.00 -0.80 -4.97 117.44 110.28 1hrr n TRP 80 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.63 1hrr n TRP 80 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 1hrr n TRP 80 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1hrr n THR 81 N 0.00 -2.12 -1.69 5.87 -1.04 -1.26 -3.81 114.28 110.23 1hrr n THR 81 Ca 0.00 0.33 -0.42 0.00 -2.04 0.00 0.00 64.05 61.91 1hrr n THR 81 Cb 0.00 -1.65 -0.03 0.00 -1.82 0.00 0.00 70.33 66.83 1hrr n THR 81 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1hrr n LEU 82 N -0.19 4.09 -4.58 -4.42 0.00 -1.26 -0.46 117.00 110.18 1hrr n LEU 82 Ca 0.00 0.98 -0.43 0.00 0.00 0.00 0.00 56.01 56.56 1hrr n LEU 82 Cb 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 43.42 41.84 1hrr n LEU 82 CO 0.00 0.19 1.88 1.17 0.00 0.00 0.00 177.39 180.63 1hrr n LYS 83 N 5.88 1.73 -0.63 1.96 4.81 -0.43 -4.34 118.16 127.13 1hrr n LYS 83 Ca 0.18 0.43 0.02 0.00 -0.87 0.00 0.00 58.31 58.07 1hrr n LYS 83 Cb 0.38 -3.17 0.20 0.00 0.02 0.00 0.00 35.03 32.46 1hrr n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1hrr n ALA 84 N 12.09 3.76 0.00 3.14 0.00 -1.26 -4.91 120.51 133.33 1hrr n ALA 84 Ca 0.32 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.74 1hrr n ALA 84 Cb 0.43 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91