#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 -1.30 0.76 -0.43 0.00 -1.26 -4.83 121.76 114.70 1hrr s ALA 2 Ca 0.00 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 1hrr s ALA 2 Cb 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 23.12 21.55 1hrr s ALA 2 CO 0.00 -1.09 1.08 -1.25 0.00 0.00 0.00 175.76 174.50 1hrr s PRO 3 N 2.62 2.37 0.13 0.00 0.04 -1.26 -4.97 135.00 133.93 1hrr s PRO 3 Ca 0.08 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 61.94 1hrr s PRO 3 Cb -0.14 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1hrr s PRO 3 CO -0.16 -1.51 1.73 0.00 0.04 0.00 0.00 177.00 177.10 1hrr h ALA 4 N -1.03 0.38 -0.39 8.56 0.00 -2.01 -2.59 119.26 122.18 1hrr h ALA 4 Ca -0.45 -0.07 -0.67 0.00 0.00 0.00 0.00 54.91 53.73 1hrr h ALA 4 Cb 1.23 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1hrr h ALA 4 CO 0.54 -0.10 2.54 0.27 0.00 0.00 0.00 179.25 182.51 1hrr n ASN 5 N -4.82 7.99 -4.80 0.00 6.94 -1.26 -4.90 115.26 114.41 1hrr n ASN 5 Ca -0.02 -2.93 -0.39 0.00 -0.02 0.00 0.00 54.58 51.23 1hrr n ASN 5 Cb 0.07 -1.42 -0.06 0.00 -2.36 0.00 0.00 39.78 36.01 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 -0.04 3.56 0.13 -2.53 0.00 -0.98 0.22 121.76 122.13 1hrr s ALA 6 Ca 0.60 0.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.35 1hrr s ALA 6 Cb 0.21 -2.70 -0.10 0.00 0.00 0.00 0.00 23.12 20.54 1hrr s ALA 6 CO -0.09 0.38 1.62 0.08 0.00 0.00 0.00 175.76 177.75 1hrr s VAL 7 N -1.12 2.73 0.12 0.00 1.01 0.30 -4.75 120.40 118.68 1hrr s VAL 7 Ca 0.30 0.42 -0.09 0.00 0.00 0.00 0.00 61.98 62.61 1hrr s VAL 7 Cb -0.20 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 1hrr s VAL 7 CO 0.20 0.02 0.43 0.00 0.00 0.00 0.00 175.10 175.75 1hrr s ALA 8 N 1.71 3.70 0.23 5.51 0.00 -1.26 -4.94 121.76 126.71 1hrr s ALA 8 Ca 0.72 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 52.24 1hrr s ALA 8 Cb -0.43 -2.29 0.35 0.00 0.00 0.00 0.00 23.12 20.76 1hrr s ALA 8 CO 0.32 0.57 1.78 0.00 0.00 0.00 0.00 175.76 178.43 1hrr h ALA 9 N 3.38 1.02 -0.27 0.00 0.00 -1.95 -0.95 119.26 120.49 1hrr h ALA 9 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1hrr h ALA 9 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1hrr h ALA 9 CO 0.68 -0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1hrr n ASP 10 N -4.85 1.58 -4.70 0.00 5.75 -1.26 -4.34 116.55 108.73 1hrr n ASP 10 Ca 0.12 -2.03 -0.39 0.00 -0.01 0.00 0.00 54.79 52.48 1hrr n ASP 10 Cb 0.28 -0.22 0.04 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.30 2.03 -0.18 -1.12 2.03 -0.36 -4.83 116.55 114.42 1hrr n ASP 11 Ca 0.09 0.94 -0.09 0.00 0.52 0.00 0.00 54.79 56.25 1hrr n ASP 11 Cb 0.26 -1.50 0.01 0.00 -0.72 0.00 0.00 41.12 39.17 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 1.19 0.67 -0.49 -1.67 0.00 -1.91 0.11 119.26 117.15 1hrr h ALA 12 Ca -0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1hrr h ALA 12 Cb 1.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1hrr h ALA 12 CO 0.55 0.41 0.26 1.15 0.00 0.00 0.00 179.25 181.62 1hrr h THR 13 N 0.72 1.18 -0.24 0.00 2.02 -1.95 -0.62 112.91 114.02 1hrr h THR 13 Ca 0.15 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1hrr h THR 13 Cb 0.39 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1hrr h THR 13 CO 0.01 0.19 0.13 0.00 0.37 0.00 0.00 175.52 176.22 1hrr h ALA 14 N 1.10 0.29 0.04 6.16 0.00 -1.67 0.58 119.26 125.76 1hrr h ALA 14 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1hrr h ALA 14 Cb 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1hrr h ALA 14 CO -0.03 -0.27 -0.25 0.82 0.00 0.00 0.00 179.25 179.53 1hrr h ILE 15 N 0.27 0.44 -1.01 0.00 2.04 -0.60 0.45 117.51 119.10 1hrr h ILE 15 Ca 0.10 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.09 1hrr h ILE 15 Cb 0.02 0.44 -0.09 0.00 -0.74 0.00 0.00 36.82 36.45 1hrr h ILE 15 CO -0.06 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.72 1hrr h ALA 16 N 0.40 1.55 -0.05 1.87 0.00 -0.74 -0.62 119.26 121.67 1hrr h ALA 16 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hrr h ALA 16 Cb 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1hrr h ALA 16 CO -0.19 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1hrr n LEU 17 N -4.65 1.29 -3.24 0.00 4.77 0.16 -4.92 117.00 110.42 1hrr n LEU 17 Ca 0.20 -0.47 -0.21 0.00 -0.03 0.00 0.00 56.01 55.50 1hrr n LEU 17 Cb 0.40 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1hrr n LEU 17 CO 0.26 0.23 -0.05 0.29 -1.33 0.00 0.00 177.39 176.79 1hrr n LYS 18 N 0.03 -3.16 -2.30 3.23 4.76 0.13 -0.32 118.16 120.53 1hrr n LYS 18 Ca 0.19 0.46 -0.38 0.00 -2.87 0.00 0.00 58.31 55.70 1hrr n LYS 18 Cb 0.30 -5.14 -0.02 0.00 -1.84 0.00 0.00 35.03 28.34 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 -2.85 3.11 0.00 2.13 6.14 0.37 -4.40 117.35 121.84 1hrr s TYR 19 Ca 0.34 1.56 0.03 0.00 0.64 0.00 0.00 57.07 59.64 1hrr s TYR 19 Cb -0.18 -3.40 -0.01 0.00 0.42 0.00 0.00 41.96 38.79 1hrr s TYR 19 CO 0.42 -1.28 -0.10 1.21 0.64 0.00 0.00 175.55 176.44 1hrr s ASN 20 N -1.09 1.13 0.19 4.32 3.84 -0.49 -4.78 114.94 118.06 1hrr s ASN 20 Ca 0.56 -0.23 -0.03 0.00 0.21 0.00 0.00 52.86 53.36 1hrr s ASN 20 Cb -0.31 -0.11 0.12 0.00 -0.55 0.00 0.00 41.25 40.41 1hrr s ASN 20 CO 0.39 0.08 1.52 -0.61 -2.79 0.00 0.00 177.10 175.69 1hrr h GLN 21 N 5.68 0.59 -5.28 0.43 4.15 -1.89 -0.02 115.11 118.77 1hrr h GLN 21 Ca -0.32 -0.35 -0.66 0.00 0.77 0.00 0.00 58.65 58.09 1hrr h GLN 21 Cb 1.18 0.03 -0.16 0.00 0.21 0.00 0.00 27.48 28.74 1hrr h GLN 21 CO 0.48 0.96 0.72 0.34 -1.93 0.00 0.00 178.83 179.40 1hrr s ASP 22 N -6.90 6.39 0.39 -0.69 -1.08 -1.26 -2.56 116.67 110.96 1hrr s ASP 22 Ca -0.08 -1.50 0.18 0.00 -0.52 0.00 0.00 52.55 50.64 1hrr s ASP 22 Cb 0.11 -2.42 1.10 0.00 -1.46 0.00 0.00 42.92 40.25 1hrr s ASP 22 CO 0.84 -1.27 1.76 0.00 0.52 0.00 0.00 175.17 177.02 1hrr h ALA 23 N 9.25 2.20 0.00 3.66 0.00 -1.64 -1.00 119.26 131.73 1hrr h ALA 23 Ca -0.06 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1hrr h ALA 23 Cb 1.05 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1hrr h ALA 23 CO 1.16 -0.63 -0.04 1.79 0.00 0.00 0.00 179.25 181.53 1hrr h THR 24 N 0.40 0.57 -0.26 0.00 1.35 -1.91 -0.71 112.91 112.35 1hrr h THR 24 Ca 0.61 -0.18 -0.09 0.00 -0.55 0.00 0.00 66.41 66.20 1hrr h THR 24 Cb 1.53 1.11 -0.06 0.00 -1.73 0.00 0.00 68.15 69.01 1hrr h THR 24 CO -0.33 0.04 -0.07 0.29 -0.25 0.00 0.00 175.52 175.21 1hrr n LYS 25 N -3.82 2.10 -2.31 4.72 5.02 -0.40 -4.98 118.16 118.50 1hrr n LYS 25 Ca -0.03 -3.01 -0.25 0.00 -2.02 0.00 0.00 58.31 53.00 1hrr n LYS 25 Cb 0.13 -1.78 0.15 0.00 -0.02 0.00 0.00 35.03 33.51 1hrr n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hrr n SER 26 N -0.97 0.91 0.00 4.39 2.88 -0.27 -4.91 113.62 115.64 1hrr n SER 26 Ca 0.27 -1.90 0.15 0.00 -1.33 0.00 0.00 58.87 56.06 1hrr n SER 26 Cb 0.93 -0.76 0.86 0.00 -0.75 0.00 0.00 64.21 64.48 1hrr n SER 26 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1hrr n GLU 27 N -3.15 0.79 -0.23 -1.46 1.02 -1.26 -4.46 120.64 111.88 1hrr n GLU 27 Ca 0.16 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.34 1hrr n GLU 27 Cb 0.58 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.66 1hrr n GLU 27 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1hrr h ARG 28 N 0.00 0.29 -0.80 3.49 0.11 -1.94 0.20 114.38 115.74 1hrr h ARG 28 Ca 0.00 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 1hrr h ARG 28 Cb 0.09 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.06 1hrr h ARG 28 CO 0.00 0.19 0.49 0.28 0.10 0.00 0.00 179.97 181.03 1hrr h VAL 29 N 0.30 1.22 -0.09 0.08 2.07 -1.87 0.30 116.25 118.27 1hrr h VAL 29 Ca 0.38 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1hrr h VAL 29 Cb 0.61 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1hrr h VAL 29 CO -0.45 0.23 -0.10 0.00 0.02 0.00 0.00 177.57 177.27 1hrr h ALA 30 N 1.26 0.13 -0.42 1.67 0.00 -1.11 -3.29 119.26 117.51 1hrr h ALA 30 Ca 0.29 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1hrr h ALA 30 Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1hrr h ALA 30 CO -0.05 -0.02 -0.24 0.00 0.00 0.00 0.00 179.25 178.94 1hrr h ALA 31 N 0.56 0.60 -6.86 0.00 0.00 -0.63 -3.48 119.26 109.44 1hrr h ALA 31 Ca 0.01 -0.39 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 1hrr h ALA 31 Cb 0.63 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1hrr h ALA 31 CO 0.02 0.59 -0.99 0.00 0.00 0.00 0.00 179.25 178.88 1hrr n ALA 32 N -2.51 -2.41 -1.76 0.00 0.00 0.10 -4.89 120.51 109.04 1hrr n ALA 32 Ca -0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 1hrr n ALA 32 Cb 0.46 -2.27 -0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 -4.79 2.64 -1.95 0.00 1.74 -1.26 -4.96 116.66 108.09 1hrr n ARG 33 Ca -0.18 0.93 -0.35 0.00 -0.77 0.00 0.00 57.85 57.48 1hrr n ARG 33 Cb 0.61 -2.66 0.04 0.00 -1.02 0.00 0.00 32.46 29.43 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 -1.81 2.91 0.00 5.56 0.04 -1.26 -4.45 135.00 136.00 1hrr s PRO 34 Ca 0.55 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1hrr s PRO 34 Cb -0.49 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1hrr s PRO 34 CO 0.61 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.84 1hrr n GLY 35 N 0.25 2.01 3.37 0.56 0.00 -1.26 -4.71 105.19 105.41 1hrr n GLY 35 Ca 0.13 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 0.70 0.52 0.99 2.96 -1.26 -5.03 118.68 117.56 1hrr s LEU 36 Ca 0.00 -0.65 -0.20 0.00 -0.22 0.00 0.00 54.13 53.06 1hrr s LEU 36 Cb 0.00 1.53 -0.07 0.00 0.50 0.00 0.00 46.19 48.15 1hrr s LEU 36 CO 0.00 -0.91 1.12 -2.16 -1.32 0.00 0.00 176.35 173.08 1hrr s PRO 37 N -3.90 3.50 0.25 0.98 0.04 -1.26 -4.80 135.00 129.80 1hrr s PRO 37 Ca 0.11 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 1hrr s PRO 37 Cb 0.02 -2.09 0.42 0.00 0.04 0.00 0.00 34.50 32.89 1hrr s PRO 37 CO -0.04 -0.72 1.80 -1.00 0.04 0.00 0.00 177.00 177.07 1hrr h PRO 38 N 1.42 0.72 0.00 0.56 0.13 -1.89 -0.86 132.00 132.08 1hrr h PRO 38 Ca -0.50 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1hrr h PRO 38 Cb 1.25 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1hrr h PRO 38 CO 0.58 0.48 -0.05 0.93 -0.23 0.00 0.00 178.00 179.71 1hrr h GLU 39 N 0.74 0.00 0.00 0.86 4.39 -1.92 0.30 114.58 118.96 1hrr h GLU 39 Ca 0.41 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.99 1hrr h GLU 39 Cb 0.42 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1hrr h GLU 39 CO -0.27 0.05 -0.55 1.49 -1.16 0.00 0.00 179.01 178.56 1hrr h GLU 40 N 0.00 0.00 -6.28 2.33 4.22 -1.51 -3.46 114.58 109.88 1hrr h GLU 40 Ca -0.00 0.00 -0.55 0.00 0.08 0.00 0.00 59.36 58.89 1hrr h GLU 40 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1hrr h GLU 40 CO 0.01 0.55 1.17 -0.65 -2.18 0.00 0.00 179.01 177.91 1hrr s GLN 41 N -3.05 4.06 -0.15 1.92 -0.21 0.11 -4.88 119.66 117.45 1hrr s GLN 41 Ca 0.03 2.29 -0.29 0.00 0.02 0.00 0.00 55.36 57.41 1hrr s GLN 41 Cb 0.09 -4.08 0.10 0.00 1.00 0.00 0.00 33.01 30.11 1hrr s GLN 41 CO 0.74 -1.02 0.87 -3.38 -2.12 0.00 0.00 175.29 170.39 1hrr s HIS 42 N 4.60 -0.52 0.38 0.91 -3.43 -1.26 -4.80 115.29 111.17 1hrr s HIS 42 Ca 0.81 0.99 0.24 0.00 -0.80 0.00 0.00 55.06 56.30 1hrr s HIS 42 Cb -0.36 0.41 1.35 0.00 -1.43 0.00 0.00 32.58 32.55 1hrr s HIS 42 CO 0.34 -0.42 1.52 0.00 -2.00 0.00 0.00 174.74 174.18 1hrr n ALA 44 N -2.36 0.68 -0.33 0.00 0.00 0.14 -0.60 120.51 118.04 1hrr n ALA 44 Ca 0.38 1.03 0.08 0.00 0.00 0.00 0.00 53.44 54.93 1hrr n ALA 44 Cb 1.34 -0.85 0.23 0.00 0.00 0.00 0.00 19.45 20.17 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 -5.37 3.48 -4.77 0.00 0.23 0.38 -5.01 115.26 104.20 1hrr n ASN 45 Ca 0.28 -2.10 -0.39 0.00 -0.53 0.00 0.00 54.58 51.84 1hrr n ASN 45 Cb 0.94 -0.36 -0.06 0.00 -2.08 0.00 0.00 39.78 38.21 1hrr n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hrr h GLN 47 N 3.76 -0.09 -0.45 0.00 5.75 -0.78 -2.76 115.11 120.54 1hrr h GLN 47 Ca -0.46 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1hrr h GLN 47 Cb 1.20 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.77 1hrr h GLN 47 CO 0.66 -0.06 0.00 1.19 -2.65 0.00 0.00 178.83 177.97 1hrr n PHE 48 N -5.35 0.59 -2.08 3.99 3.72 -1.26 -4.79 117.46 112.28 1hrr n PHE 48 Ca 0.03 -0.29 -0.41 0.00 -0.05 0.00 0.00 57.45 56.73 1hrr n PHE 48 Cb 0.32 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 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 -1.41 4.32 -0.11 -1.08 1.75 -1.04 -2.17 119.30 119.55 1hrr s MET 49 Ca 0.35 2.24 0.01 0.00 -1.25 0.00 0.00 55.69 57.04 1hrr s MET 49 Cb 0.19 -3.10 0.02 0.00 2.84 0.00 0.00 34.83 34.77 1hrr s MET 49 CO 0.25 -0.30 -0.12 -0.65 -0.65 0.00 0.00 175.02 173.55 1hrr s GLN 50 N -0.97 1.94 -0.06 4.11 -0.21 0.38 -4.97 119.66 119.89 1hrr s GLN 50 Ca 0.54 -0.44 0.15 0.00 0.02 0.00 0.00 55.36 55.64 1hrr s GLN 50 Cb -0.40 -1.78 -0.22 0.00 1.00 0.00 0.00 33.01 31.61 1hrr s GLN 50 CO 0.47 -0.16 0.55 0.00 -2.12 0.00 0.00 175.29 174.03 1hrr n ALA 51 N 4.53 1.65 0.20 6.09 0.00 -1.26 -0.69 120.51 131.03 1hrr n ALA 51 Ca -0.17 -0.84 0.12 0.00 0.00 0.00 0.00 53.44 52.55 1hrr n ALA 51 Cb 0.51 -0.71 0.65 0.00 0.00 0.00 0.00 19.45 19.89 1hrr n ALA 51 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1hrr h ASP 52 N 0.00 0.00 -1.72 0.00 2.03 -1.97 -3.44 116.42 111.32 1hrr h ASP 52 Ca -0.31 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.51 1hrr h ASP 52 Cb 1.93 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.43 1hrr h ASP 52 CO 0.06 0.00 1.58 0.00 -1.03 0.00 0.00 179.24 179.84 1hrr s ALA 53 N -3.60 1.83 -0.15 4.15 0.00 -1.25 -4.89 121.76 117.85 1hrr s ALA 53 Ca -0.02 0.01 -0.39 0.00 0.00 0.00 0.00 51.96 51.57 1hrr s ALA 53 Cb 0.07 -4.31 -0.16 0.00 0.00 0.00 0.00 23.12 18.73 1hrr s ALA 53 CO 0.24 -4.20 1.63 0.00 0.00 0.00 0.00 175.76 173.43 1hrr n ALA 54 N 15.00 -0.33 0.00 0.00 0.00 -1.26 -0.64 120.51 133.27 1hrr n ALA 54 Ca 0.34 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1hrr n ALA 54 Cb 0.53 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 3.69 1.23 3.55 0.00 0.00 -1.26 -5.06 105.19 107.35 1hrr n GLY 55 Ca 0.24 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.03 -1.68 -2.51 4.61 0.00 0.18 -4.97 120.51 116.11 1hrr n ALA 56 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1hrr n ALA 56 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 1.79 0.00 0.00 0.00 -2.24 0.15 -4.96 114.28 109.02 1hrr n THR 57 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1hrr n THR 57 Cb 0.19 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1hrr n THR 57 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hrr n ASP 58 N 0.00 0.00 -0.06 3.42 5.68 -1.26 -4.27 116.55 120.06 1hrr n ASP 58 Ca 0.00 0.22 0.14 0.00 -0.50 0.00 0.00 54.79 54.64 1hrr n ASP 58 Cb 0.00 -0.18 0.54 0.00 -1.14 0.00 0.00 41.12 40.34 1hrr n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1hrr n GLU 59 N -1.04 0.37 -4.74 0.11 4.71 -1.26 -4.89 120.64 113.89 1hrr n GLU 59 Ca 0.00 -0.12 -0.33 0.00 -0.01 0.00 0.00 57.16 56.70 1hrr n GLU 59 Cb 0.00 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 28.80 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 -2.71 2.82 0.29 -0.32 0.52 -1.26 -0.71 118.94 117.57 1hrr s TRP 60 Ca 0.21 -0.33 0.03 0.00 0.02 0.00 0.00 56.10 56.04 1hrr s TRP 60 Cb 0.19 -1.77 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 1hrr s TRP 60 CO 0.53 0.03 0.18 0.15 0.02 0.00 0.00 176.95 177.87 1hrr s LYS 61 N -0.19 1.55 0.37 4.98 3.01 0.12 -0.68 119.74 128.91 1hrr s LYS 61 Ca 0.01 -1.88 -0.02 0.00 -1.01 0.00 0.00 55.97 53.07 1hrr s LYS 61 Cb -0.13 0.07 -0.04 0.00 -1.01 0.00 0.00 37.83 36.72 1hrr s LYS 61 CO 0.03 -0.49 0.61 0.20 0.51 0.00 0.00 175.35 176.21 1hrr s GLY 62 N -3.33 1.47 -0.03 -3.33 0.00 0.14 -0.28 107.32 101.95 1hrr s GLY 62 Ca 0.37 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.36 1hrr s GLY 62 CO 0.19 -0.65 -0.04 0.00 0.00 0.00 0.00 173.10 172.59 1hrr h GLN 64 N 6.90 0.07 -0.88 0.00 4.20 -1.81 0.94 115.11 124.53 1hrr h GLN 64 Ca -0.37 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.33 1hrr h GLN 64 Cb 1.16 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 1hrr h GLN 64 CO 0.48 0.05 0.00 1.47 -0.67 0.00 0.00 178.83 180.16 1hrr n LEU 65 N -5.29 2.44 -3.18 1.46 -0.00 -1.26 -4.24 117.00 106.94 1hrr n LEU 65 Ca 0.06 -1.23 -0.21 0.00 -0.00 0.00 0.00 56.01 54.62 1hrr n LEU 65 Cb 0.29 -0.56 -0.05 0.00 -0.00 0.00 0.00 43.42 43.10 1hrr n LEU 65 CO 0.13 0.37 -0.20 0.33 -0.00 0.00 0.00 177.39 178.01 1hrr n PHE 66 N 0.18 0.54 -2.48 1.47 -0.00 0.32 -5.13 117.46 112.37 1hrr n PHE 66 Ca 0.08 -3.77 -0.34 0.00 -0.00 0.00 0.00 57.45 53.43 1hrr n PHE 66 Cb 0.54 -0.41 -0.03 0.00 -0.00 0.00 0.00 39.48 39.58 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 -2.11 3.73 0.00 -7.13 0.04 -1.26 -3.86 135.00 124.41 1hrr s PRO 67 Ca 0.39 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1hrr s PRO 67 Cb 0.27 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1hrr s PRO 67 CO -0.09 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1hrr n GLY 68 N -0.30 1.24 3.88 0.56 0.00 -1.26 -4.91 105.19 104.39 1hrr n GLY 68 Ca 0.09 0.00 -0.30 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 2.95 -0.13 1.61 1.02 -1.25 -4.89 119.74 119.05 1hrr s LYS 69 Ca 0.00 0.51 0.02 0.00 0.02 0.00 0.00 55.97 56.52 1hrr s LYS 69 Cb 0.00 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1hrr s LYS 69 CO 0.00 -0.98 -0.18 -0.51 -0.92 0.00 0.00 175.35 172.76 1hrr s LEU 70 N -5.35 2.42 0.88 3.17 1.43 0.13 -4.70 118.68 116.66 1hrr s LEU 70 Ca 0.58 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 53.09 1hrr s LEU 70 Cb -0.11 -1.52 0.13 0.00 0.03 0.00 0.00 46.19 44.72 1hrr s LEU 70 CO 0.52 0.14 1.20 0.27 0.23 0.00 0.00 176.35 178.71 1hrr s ILE 71 N 0.47 1.98 -0.13 -0.59 -4.36 0.62 -0.54 121.20 118.66 1hrr s ILE 71 Ca -0.12 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.25 1hrr s ILE 71 Cb -0.16 -2.93 -0.02 0.00 1.25 0.00 0.00 42.46 40.59 1hrr s ILE 71 CO 0.05 0.00 -0.07 0.21 0.24 0.00 0.00 174.94 175.37 1hrr s ASN 72 N -4.51 4.57 0.42 4.36 3.84 -1.26 -0.70 114.94 121.65 1hrr s ASN 72 Ca 0.66 -0.15 0.21 0.00 0.21 0.00 0.00 52.86 53.78 1hrr s ASN 72 Cb -0.10 -1.59 1.16 0.00 -0.55 0.00 0.00 41.25 40.17 1hrr s ASN 72 CO 0.51 0.22 1.78 -0.37 -2.79 0.00 0.00 177.10 176.45 1hrr h VAL 73 N 4.99 0.52 0.00 -5.21 -1.51 -1.28 0.76 116.25 114.52 1hrr h VAL 73 Ca -0.34 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1hrr h VAL 73 Cb 1.19 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1hrr h VAL 73 CO 0.59 0.06 0.00 0.59 -1.23 0.00 0.00 177.57 177.58 1hrr n ASN 74 N -4.56 0.30 -3.63 4.19 4.13 -1.26 -0.68 115.26 113.75 1hrr n ASN 74 Ca 0.25 0.55 -0.25 0.00 1.68 0.00 0.00 54.58 56.80 1hrr n ASN 74 Cb 0.91 -0.62 0.18 0.00 -1.54 0.00 0.00 39.78 38.70 1hrr n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hrr n GLY 75 N 0.77 -1.49 3.21 7.41 0.00 0.26 -2.67 105.19 112.68 1hrr n GLY 75 Ca 0.05 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.48 -0.06 0.12 1.61 -0.00 -0.02 -0.13 118.94 116.99 1hrr s TRP 76 Ca 0.65 -0.04 0.01 0.00 -0.00 0.00 0.00 56.10 56.71 1hrr s TRP 76 Cb -0.02 0.04 -0.04 0.00 -0.00 0.00 0.00 33.47 33.45 1hrr s TRP 76 CO 0.45 -0.43 -0.02 0.00 -0.00 0.00 0.00 176.95 176.95 1hrr h ALA 78 N 2.89 1.05 -0.59 0.00 0.00 -0.88 0.42 119.26 122.14 1hrr h ALA 78 Ca -0.36 0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1hrr h ALA 78 Cb 1.18 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 19.35 1hrr h ALA 78 CO 0.63 -0.48 0.25 0.77 0.00 0.00 0.00 179.25 180.43 1hrr h SER 79 N 0.10 0.30 0.00 0.00 0.02 -1.98 -3.45 113.55 108.54 1hrr h SER 79 Ca 0.51 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1hrr h SER 79 Cb 0.99 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1hrr h SER 79 CO -0.74 0.19 0.00 1.87 -1.14 0.00 0.00 176.83 177.01 1hrr n TRP 80 N -4.94 0.00 0.00 3.45 -0.00 0.13 -4.96 117.44 111.12 1hrr n TRP 80 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1hrr n TRP 80 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.54 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 -0.72 -2.54 5.87 -1.04 -1.26 -4.38 114.28 110.21 1hrr n THR 81 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 1hrr n THR 81 Cb 0.00 -0.58 -0.04 0.00 -1.82 0.00 0.00 70.33 67.89 1hrr n THR 81 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1hrr s LEU 82 N -0.85 3.94 -0.13 -4.42 0.20 -1.26 -0.36 118.68 115.79 1hrr s LEU 82 Ca 0.00 1.97 -0.32 0.00 0.69 0.00 0.00 54.13 56.47 1hrr s LEU 82 Cb 0.00 -4.44 -0.10 0.00 -0.43 0.00 0.00 46.19 41.22 1hrr s LEU 82 CO 0.00 -0.70 2.03 0.29 -0.29 0.00 0.00 176.35 177.68 1hrr n LYS 83 N -0.69 2.10 -3.44 1.98 5.02 0.53 -0.26 118.16 123.40 1hrr n LYS 83 Ca 0.08 0.71 -0.24 0.00 -2.02 0.00 0.00 58.31 56.84 1hrr n LYS 83 Cb 0.52 -2.83 0.05 0.00 -0.02 0.00 0.00 35.03 32.75 1hrr n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hrr n ALA 84 N 8.48 -1.18 -1.98 7.82 0.00 -1.26 -4.93 120.51 127.46 1hrr n ALA 84 Ca 0.27 0.32 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1hrr n ALA 84 Cb 0.34 -4.71 0.00 0.00 0.00 0.00 0.00 19.45 15.08 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91