#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 -1.31 0.77 -0.43 0.00 -1.26 -4.83 121.76 114.70 1hrr s ALA 2 Ca 0.00 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 1hrr s ALA 2 Cb 0.00 -1.63 0.05 0.00 0.00 0.00 0.00 23.12 21.54 1hrr s ALA 2 CO 0.00 -1.09 1.09 -1.25 0.00 0.00 0.00 175.76 174.51 1hrr s PRO 3 N 2.63 2.30 0.15 0.00 0.04 -1.26 -4.95 135.00 133.90 1hrr s PRO 3 Ca 0.08 1.13 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 1hrr s PRO 3 Cb -0.14 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1hrr s PRO 3 CO -0.16 -1.60 1.79 0.00 0.04 0.00 0.00 177.00 177.08 1hrr h ALA 4 N -1.10 0.43 -0.12 8.56 0.00 -2.01 -2.33 119.26 122.69 1hrr h ALA 4 Ca -0.44 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 1hrr h ALA 4 Cb 1.23 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1hrr h ALA 4 CO 0.52 -0.14 -0.07 0.27 0.00 0.00 0.00 179.25 179.83 1hrr n ASN 5 N -4.88 5.57 -4.74 0.00 6.94 -1.26 -4.88 115.26 112.01 1hrr n ASN 5 Ca -0.00 -2.61 -0.40 0.00 -0.02 0.00 0.00 54.58 51.54 1hrr n ASN 5 Cb 0.05 -1.25 -0.05 0.00 -2.36 0.00 0.00 39.78 36.16 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 -0.01 3.33 -0.32 -2.53 0.00 -0.88 0.40 121.76 121.76 1hrr s ALA 6 Ca 0.39 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 1hrr s ALA 6 Cb 0.21 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 1hrr s ALA 6 CO -0.03 0.08 1.73 0.08 0.00 0.00 0.00 175.76 177.62 1hrr s VAL 7 N -0.30 3.55 0.47 0.00 1.01 0.18 -4.80 120.40 120.51 1hrr s VAL 7 Ca 0.41 0.57 -0.24 0.00 0.00 0.00 0.00 61.98 62.72 1hrr s VAL 7 Cb -0.22 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 1hrr s VAL 7 CO 0.27 -0.43 1.40 0.00 0.00 0.00 0.00 175.10 176.34 1hrr s ALA 8 N 6.44 3.13 0.15 5.51 0.00 -1.26 -4.79 121.76 130.95 1hrr s ALA 8 Ca 0.77 1.41 -0.15 0.00 0.00 0.00 0.00 51.96 53.99 1hrr s ALA 8 Cb -0.22 -3.58 0.11 0.00 0.00 0.00 0.00 23.12 19.44 1hrr s ALA 8 CO 0.33 -1.22 1.11 0.00 0.00 0.00 0.00 175.76 175.99 1hrr n ALA 9 N -0.40 -0.19 -2.27 0.00 0.00 -1.26 -1.40 120.51 114.99 1hrr n ALA 9 Ca 0.06 0.69 -0.22 0.00 0.00 0.00 0.00 53.44 53.97 1hrr n ALA 9 Cb 0.43 -0.26 0.02 0.00 0.00 0.00 0.00 19.45 19.63 1hrr n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hrr n ASP 10 N -5.02 4.40 -4.44 0.00 8.00 -1.26 -4.01 116.55 114.22 1hrr n ASP 10 Ca 0.06 -3.54 -0.34 0.00 0.71 0.00 0.00 54.79 51.68 1hrr n ASP 10 Cb 0.26 -0.40 0.10 0.00 -0.02 0.00 0.00 41.12 41.06 1hrr n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1hrr n ASP 11 N -0.59 -1.73 -0.14 -2.24 -0.08 -0.50 -4.76 116.55 106.51 1hrr n ASP 11 Ca 0.37 0.42 -0.11 0.00 -1.51 0.00 0.00 54.79 53.97 1hrr n ASP 11 Cb 0.85 -1.22 -0.01 0.00 2.34 0.00 0.00 41.12 43.08 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 -1.14 0.55 -0.65 -1.67 0.00 -1.97 0.13 119.26 114.51 1hrr h ALA 12 Ca -0.44 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.26 1hrr h ALA 12 Cb 1.30 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1hrr h ALA 12 CO 0.37 0.36 0.34 1.15 0.00 0.00 0.00 179.25 181.47 1hrr h THR 13 N 0.57 0.93 0.11 0.00 2.02 -1.97 -0.03 112.91 114.53 1hrr h THR 13 Ca 0.11 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1hrr h THR 13 Cb 0.52 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1hrr h THR 13 CO 0.03 0.11 -0.05 0.00 0.37 0.00 0.00 175.52 175.98 1hrr h ALA 14 N 1.36 -0.15 -0.86 6.16 0.00 -1.71 -2.70 119.26 121.37 1hrr h ALA 14 Ca 0.30 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.27 1hrr h ALA 14 Cb 0.23 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1hrr h ALA 14 CO -0.21 -0.56 0.49 0.82 0.00 0.00 0.00 179.25 179.80 1hrr h ILE 15 N -0.20 0.88 -0.34 0.00 2.04 -0.26 0.43 117.51 120.06 1hrr h ILE 15 Ca -0.02 -0.27 0.10 0.00 1.00 0.00 0.00 64.86 65.67 1hrr h ILE 15 Cb 0.16 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1hrr h ILE 15 CO 0.03 0.14 0.27 0.00 0.00 0.00 0.00 178.15 178.59 1hrr h ALA 16 N 1.49 2.21 -0.23 1.87 0.00 -0.71 0.12 119.26 124.02 1hrr h ALA 16 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1hrr h ALA 16 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1hrr h ALA 16 CO -0.27 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 179.82 1hrr n LEU 17 N -4.22 2.98 -3.02 0.00 4.77 0.11 -4.95 117.00 112.66 1hrr n LEU 17 Ca 0.05 -1.34 -0.21 0.00 -0.03 0.00 0.00 56.01 54.48 1hrr n LEU 17 Cb 0.44 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1hrr n LEU 17 CO 0.33 0.61 -0.08 0.29 -1.33 0.00 0.00 177.39 177.21 1hrr n LYS 18 N 1.17 -0.88 -1.70 3.23 4.76 0.11 -0.40 118.16 124.45 1hrr n LYS 18 Ca 0.15 0.07 -0.38 0.00 -2.87 0.00 0.00 58.31 55.28 1hrr n LYS 18 Cb 0.52 -2.42 0.06 0.00 -1.84 0.00 0.00 35.03 31.34 1hrr n LYS 18 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1hrr n TYR 19 N -2.30 1.75 -3.59 2.13 4.19 1.00 -4.36 117.16 115.98 1hrr n TYR 19 Ca 0.06 0.43 -0.16 0.00 3.31 0.00 0.00 57.90 61.54 1hrr n TYR 19 Cb 0.23 -2.26 -0.14 0.00 0.49 0.00 0.00 39.34 37.66 1hrr n TYR 19 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 1hrr s ASN 20 N -1.18 0.83 0.11 2.98 -0.87 0.32 -4.53 114.94 112.60 1hrr s ASN 20 Ca 0.77 0.22 -0.21 0.00 -1.57 0.00 0.00 52.86 52.07 1hrr s ASN 20 Cb -0.41 0.49 -0.09 0.00 -0.02 0.00 0.00 41.25 41.22 1hrr s ASN 20 CO 0.45 -0.27 1.76 -0.61 -2.57 0.00 0.00 177.10 175.86 1hrr h GLN 21 N 8.31 0.17 -4.44 -0.60 -0.00 -1.81 -0.90 115.11 115.84 1hrr h GLN 21 Ca -0.15 -0.01 -0.65 0.00 -0.00 0.00 0.00 58.65 57.84 1hrr h GLN 21 Cb 1.13 -0.04 0.03 0.00 0.00 0.00 0.00 27.48 28.60 1hrr h GLN 21 CO 0.19 0.11 2.40 -0.40 0.00 0.00 0.00 178.83 181.13 1hrr n ASP 22 N -5.01 2.76 -0.11 -0.69 5.75 -1.26 -3.42 116.55 114.57 1hrr n ASP 22 Ca -0.04 -2.71 0.22 0.00 -0.01 0.00 0.00 54.79 52.25 1hrr n ASP 22 Cb 0.04 -1.22 0.66 0.00 -1.03 0.00 0.00 41.12 39.56 1hrr n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hrr h ALA 23 N 7.65 2.54 0.00 2.12 0.00 -1.73 0.24 119.26 130.07 1hrr h ALA 23 Ca 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1hrr h ALA 23 Cb 0.67 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1hrr h ALA 23 CO 1.93 -0.75 -0.05 1.79 0.00 0.00 0.00 179.25 182.17 1hrr h THR 24 N 0.10 0.66 0.00 0.00 1.35 -1.90 0.64 112.91 113.77 1hrr h THR 24 Ca 0.35 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 1hrr h THR 24 Cb 1.25 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1hrr h THR 24 CO -0.04 0.05 0.00 0.50 -0.25 0.00 0.00 175.52 175.78 1hrr h LYS 25 N 0.00 0.00 -7.31 4.72 3.64 -0.92 -3.48 116.57 113.23 1hrr h LYS 25 Ca -0.00 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.90 1hrr h LYS 25 Cb 0.13 0.00 0.16 0.00 -0.41 0.00 0.00 32.23 32.10 1hrr h LYS 25 CO 0.01 0.00 0.23 0.45 -2.27 0.00 0.00 179.45 177.86 1hrr s SER 26 N -4.64 3.21 0.00 4.20 0.15 0.21 -4.94 113.70 111.90 1hrr s SER 26 Ca 0.10 1.60 0.10 0.00 0.70 0.00 0.00 55.95 58.45 1hrr s SER 26 Cb 0.12 -2.26 0.41 0.00 -1.71 0.00 0.00 66.02 62.59 1hrr s SER 26 CO 0.60 -2.82 1.29 -1.84 1.20 0.00 0.00 173.24 171.68 1hrr n GLU 27 N -4.01 1.38 -0.35 5.44 0.00 -1.26 -4.45 120.64 117.39 1hrr n GLU 27 Ca 0.07 -0.59 0.12 0.00 0.00 0.00 0.00 57.16 56.77 1hrr n GLU 27 Cb 0.55 -1.20 0.31 0.00 0.00 0.00 0.00 31.44 31.10 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 1.03 0.77 -0.65 3.44 0.11 -1.92 0.39 114.38 117.54 1hrr h ARG 28 Ca 0.00 -0.05 0.10 0.00 0.10 0.00 0.00 59.98 60.14 1hrr h ARG 28 Cb 0.23 -0.17 -0.08 0.00 1.11 0.00 0.00 29.97 31.06 1hrr h ARG 28 CO 0.00 0.51 0.26 0.28 0.10 0.00 0.00 179.97 181.11 1hrr h VAL 29 N 0.79 0.75 -0.11 0.08 2.07 -1.87 0.28 116.25 118.24 1hrr h VAL 29 Ca 0.57 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.89 1hrr h VAL 29 Cb 0.86 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1hrr h VAL 29 CO -0.37 0.08 -0.14 0.00 0.02 0.00 0.00 177.57 177.16 1hrr h ALA 30 N 1.45 0.17 -0.80 1.67 0.00 -0.68 -3.25 119.26 117.83 1hrr h ALA 30 Ca 0.34 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1hrr h ALA 30 Cb 0.43 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1hrr h ALA 30 CO -0.33 0.05 0.38 0.00 0.00 0.00 0.00 179.25 179.36 1hrr h ALA 31 N 0.56 1.03 -7.01 0.00 0.00 -0.63 -3.47 119.26 109.75 1hrr h ALA 31 Ca 0.01 -0.16 -0.59 0.00 0.00 0.00 0.00 54.91 54.17 1hrr h ALA 31 Cb 0.69 -0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 1hrr h ALA 31 CO 0.03 0.60 -0.96 0.00 0.00 0.00 0.00 179.25 178.92 1hrr n ALA 32 N -2.40 -2.25 -1.77 0.00 0.00 0.96 -4.85 120.51 110.20 1hrr n ALA 32 Ca 0.07 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 1hrr n ALA 32 Cb 0.14 -1.55 -0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -4.69 2.67 -1.97 0.00 1.74 -1.26 -4.91 116.66 108.23 1hrr n ARG 33 Ca -0.22 0.94 -0.39 0.00 -0.77 0.00 0.00 57.85 57.41 1hrr n ARG 33 Cb 0.61 -2.67 0.01 0.00 -1.02 0.00 0.00 32.46 29.39 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 -1.76 3.64 0.00 5.56 0.04 -1.26 -4.36 135.00 136.86 1hrr s PRO 34 Ca 0.56 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1hrr s PRO 34 Cb -0.48 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1hrr s PRO 34 CO 0.61 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1hrr n GLY 35 N 0.63 1.42 3.36 0.56 0.00 -1.26 -4.70 105.19 105.19 1hrr n GLY 35 Ca 0.06 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 0.53 0.99 2.96 -1.26 -5.07 118.68 117.69 1hrr s LEU 36 Ca 0.00 -0.84 -0.20 0.00 -0.22 0.00 0.00 54.13 52.88 1hrr s LEU 36 Cb 0.00 1.29 -0.06 0.00 0.50 0.00 0.00 46.19 47.92 1hrr s LEU 36 CO 0.00 -0.91 1.13 -2.16 -1.32 0.00 0.00 176.35 173.09 1hrr s PRO 37 N -3.96 3.41 0.22 0.98 0.04 -1.26 -4.77 135.00 129.66 1hrr s PRO 37 Ca 0.17 1.63 -0.08 0.00 0.04 0.00 0.00 61.00 62.76 1hrr s PRO 37 Cb 0.03 -2.06 0.33 0.00 0.04 0.00 0.00 34.50 32.84 1hrr s PRO 37 CO -0.00 -0.81 1.75 -1.00 0.04 0.00 0.00 177.00 176.98 1hrr h PRO 38 N 1.31 0.47 0.00 0.56 0.13 -1.91 -0.72 132.00 131.84 1hrr h PRO 38 Ca -0.50 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 1hrr h PRO 38 Cb 1.26 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1hrr h PRO 38 CO 0.57 0.31 -0.13 0.93 -0.23 0.00 0.00 178.00 179.45 1hrr h GLU 39 N 0.48 0.00 -0.00 0.86 4.39 -1.92 0.16 114.58 118.55 1hrr h GLU 39 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1hrr h GLU 39 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1hrr h GLU 39 CO -0.31 0.13 -0.12 0.39 -1.16 0.00 0.00 179.01 177.94 1hrr n GLU 40 N -3.76 0.42 -2.53 2.33 1.02 -0.29 -4.78 120.64 113.05 1hrr n GLU 40 Ca -0.02 -0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.57 1hrr n GLU 40 Cb 0.24 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1hrr n GLU 40 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1hrr s GLN 41 N -2.66 4.17 0.18 3.49 -0.21 0.55 -4.84 119.66 120.34 1hrr s GLN 41 Ca 0.24 1.42 -0.24 0.00 0.02 0.00 0.00 55.36 56.80 1hrr s GLN 41 Cb 0.20 -3.74 0.05 0.00 1.00 0.00 0.00 33.01 30.52 1hrr s GLN 41 CO 0.51 -0.77 0.84 -3.38 -2.12 0.00 0.00 175.29 170.37 1hrr s HIS 42 N 3.56 -0.21 0.34 0.91 -3.43 -1.26 -4.74 115.29 110.45 1hrr s HIS 42 Ca 0.50 -0.11 0.12 0.00 -0.80 0.00 0.00 55.06 54.77 1hrr s HIS 42 Cb -0.17 0.64 0.95 0.00 -1.43 0.00 0.00 32.58 32.57 1hrr s HIS 42 CO 0.13 -0.93 1.73 0.00 -2.00 0.00 0.00 174.74 173.67 1hrr h ALA 44 N 1.73 1.28 -0.01 0.00 0.00 -0.85 -0.26 119.26 121.15 1hrr h ALA 44 Ca 0.65 0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.90 1hrr h ALA 44 Cb 1.34 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1hrr h ALA 44 CO -0.46 -0.62 -0.49 0.27 0.00 0.00 0.00 179.25 177.95 1hrr n ASN 45 N -5.48 1.73 -4.89 0.00 6.94 -0.23 -5.03 115.26 108.31 1hrr n ASN 45 Ca 0.25 -3.90 -0.33 0.00 -0.02 0.00 0.00 54.58 50.58 1hrr n ASN 45 Cb 0.83 -0.53 -0.05 0.00 -2.36 0.00 0.00 39.78 37.66 1hrr n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hrr s GLN 47 N -2.37 3.18 -0.84 0.00 2.00 0.12 -3.41 119.66 118.35 1hrr s GLN 47 Ca 0.37 1.71 0.00 0.00 -2.00 0.00 0.00 55.36 55.45 1hrr s GLN 47 Cb -0.13 -1.97 0.00 0.00 0.80 0.00 0.00 33.01 31.71 1hrr s GLN 47 CO 0.22 -1.01 0.00 1.97 -0.50 0.00 0.00 175.29 175.97 1hrr n PHE 48 N -1.43 -1.50 -2.50 1.67 1.16 -1.26 -4.89 117.46 108.71 1hrr n PHE 48 Ca 0.13 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.30 1hrr n PHE 48 Cb 0.50 -2.37 -0.04 0.00 -1.61 0.00 0.00 39.48 35.96 1hrr n PHE 48 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1hrr s MET 49 N -4.94 4.61 -0.13 3.97 1.75 -1.22 -1.79 119.30 121.55 1hrr s MET 49 Ca 0.00 1.76 0.00 0.00 -1.25 0.00 0.00 55.69 56.20 1hrr s MET 49 Cb 0.00 -3.24 0.02 0.00 2.84 0.00 0.00 34.83 34.45 1hrr s MET 49 CO 0.00 0.13 -0.13 -0.65 -0.65 0.00 0.00 175.02 173.72 1hrr s GLN 50 N -0.78 2.10 -0.07 4.11 -0.21 0.50 -4.99 119.66 120.32 1hrr s GLN 50 Ca 0.48 -0.48 0.16 0.00 0.02 0.00 0.00 55.36 55.53 1hrr s GLN 50 Cb -0.30 -1.94 -0.22 0.00 1.00 0.00 0.00 33.01 31.54 1hrr s GLN 50 CO 0.37 -0.21 0.50 0.00 -2.12 0.00 0.00 175.29 173.83 1hrr n ALA 51 N 4.71 1.65 0.33 6.09 0.00 -1.26 -0.68 120.51 131.35 1hrr n ALA 51 Ca -0.16 -0.89 0.21 0.00 0.00 0.00 0.00 53.44 52.60 1hrr n ALA 51 Cb 0.50 -0.66 1.10 0.00 0.00 0.00 0.00 19.45 20.40 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 -1.57 0.00 2.03 -1.98 -3.44 116.42 111.46 1hrr h ASP 52 Ca -0.33 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.43 1hrr h ASP 52 Cb 1.95 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.45 1hrr h ASP 52 CO 0.05 0.00 1.57 0.00 -1.03 0.00 0.00 179.24 179.83 1hrr n ALA 53 N -2.02 1.15 -1.67 4.15 0.00 -1.25 -4.87 120.51 116.00 1hrr n ALA 53 Ca -0.03 -0.55 -0.54 0.00 0.00 0.00 0.00 53.44 52.32 1hrr n ALA 53 Cb 0.14 -2.97 -0.06 0.00 0.00 0.00 0.00 19.45 16.56 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 13.39 -0.11 0.00 0.00 0.00 -1.26 -0.61 120.51 131.91 1hrr n ALA 54 Ca 0.37 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.22 1hrr n ALA 54 Cb 0.44 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 3.74 2.33 3.58 0.00 0.00 -1.26 -5.05 105.19 108.54 1hrr n GLY 55 Ca 0.23 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 -0.55 -1.15 -2.46 4.61 0.00 0.22 -4.97 120.51 116.21 1hrr n ALA 56 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1hrr n ALA 56 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 2.28 0.00 0.00 0.00 -2.24 0.14 -4.97 114.28 109.48 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 -0.13 3.42 5.68 -1.26 -4.29 116.55 119.97 1hrr n ASP 58 Ca 0.00 0.23 0.14 0.00 -0.50 0.00 0.00 54.79 54.66 1hrr n ASP 58 Cb 0.00 -0.19 0.53 0.00 -1.14 0.00 0.00 41.12 40.33 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 -1.06 0.62 -4.87 0.11 4.71 -1.26 -4.89 120.64 114.00 1hrr n GLU 59 Ca 0.00 -0.25 -0.33 0.00 -0.01 0.00 0.00 57.16 56.57 1hrr n GLU 59 Cb 0.00 -1.49 -0.14 0.00 -1.01 0.00 0.00 31.44 28.79 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 -2.56 2.75 0.31 -0.32 0.52 -1.26 -0.65 118.94 117.72 1hrr s TRP 60 Ca 0.25 -0.57 0.03 0.00 0.02 0.00 0.00 56.10 55.83 1hrr s TRP 60 Cb 0.20 -1.77 -0.04 0.00 -1.15 0.00 0.00 33.47 30.70 1hrr s TRP 60 CO 0.51 -0.14 0.15 0.15 0.02 0.00 0.00 176.95 177.63 1hrr s LYS 61 N 0.08 1.61 0.31 4.98 3.01 0.31 -0.69 119.74 129.34 1hrr s LYS 61 Ca -0.06 -1.92 -0.05 0.00 -1.01 0.00 0.00 55.97 52.93 1hrr s LYS 61 Cb -0.15 -0.20 -0.05 0.00 -1.01 0.00 0.00 37.83 36.42 1hrr s LYS 61 CO 0.05 -0.42 0.58 0.20 0.51 0.00 0.00 175.35 176.26 1hrr s GLY 62 N -3.39 1.84 -0.07 -3.33 0.00 0.14 -0.21 107.32 102.30 1hrr s GLY 62 Ca 0.35 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.55 1hrr s GLY 62 CO 0.17 -0.42 -0.10 0.00 0.00 0.00 0.00 173.10 172.74 1hrr n GLN 64 N 4.06 2.32 -1.21 0.00 1.13 -0.74 -0.83 117.38 122.11 1hrr n GLN 64 Ca -0.21 0.81 -0.07 0.00 -1.94 0.00 0.00 57.00 55.59 1hrr n GLN 64 Cb 0.51 -2.46 -0.03 0.00 0.11 0.00 0.00 30.24 28.38 1hrr n GLN 64 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1hrr n LEU 65 N 0.87 -0.19 -3.44 1.08 4.77 -1.26 -4.93 117.00 113.90 1hrr n LEU 65 Ca 0.04 0.18 -0.29 0.00 -0.03 0.00 0.00 56.01 55.92 1hrr n LEU 65 Cb 0.37 -1.98 -0.07 0.00 -2.33 0.00 0.00 43.42 39.41 1hrr n LEU 65 CO 0.63 -0.71 0.20 0.33 -1.33 0.00 0.00 177.39 176.51 1hrr n PHE 66 N -2.46 3.55 -2.39 -1.77 -0.00 -0.01 -5.10 117.46 109.28 1hrr n PHE 66 Ca -0.07 -3.98 -0.36 0.00 -0.00 0.00 0.00 57.45 53.04 1hrr n PHE 66 Cb 0.40 -0.63 -0.02 0.00 -0.00 0.00 0.00 39.48 39.23 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 -2.62 3.79 0.00 -7.13 0.04 -1.26 -3.77 135.00 124.05 1hrr s PRO 67 Ca 0.40 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1hrr s PRO 67 Cb 0.15 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1hrr s PRO 67 CO -0.01 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1hrr n GLY 68 N 0.21 1.09 3.91 0.56 0.00 -1.26 -4.91 105.19 104.79 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 1.70 -0.04 1.61 1.02 -1.25 -4.89 119.74 117.89 1hrr s LYS 69 Ca 0.00 -0.05 0.04 0.00 0.02 0.00 0.00 55.97 55.98 1hrr s LYS 69 Cb 0.00 -1.95 -0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1hrr s LYS 69 CO 0.00 -1.74 -0.15 -0.51 -0.92 0.00 0.00 175.35 172.03 1hrr s LEU 70 N -5.61 1.87 0.33 3.17 1.43 0.16 -4.72 118.68 115.31 1hrr s LEU 70 Ca 0.64 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1hrr s LEU 70 Cb -0.09 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 1hrr s LEU 70 CO 0.49 0.13 0.61 0.27 0.23 0.00 0.00 176.35 178.08 1hrr s ILE 71 N 0.14 4.97 0.07 -0.59 -0.00 0.71 -0.65 121.20 125.85 1hrr s ILE 71 Ca -0.05 0.16 -0.24 0.00 -0.00 0.00 0.00 60.65 60.52 1hrr s ILE 71 Cb -0.12 -3.75 -0.06 0.00 -0.00 0.00 0.00 42.46 38.53 1hrr s ILE 71 CO 0.02 -0.41 0.72 0.21 -0.00 0.00 0.00 174.94 175.49 1hrr s ASN 72 N -3.26 7.21 0.39 4.36 3.84 -1.26 -0.53 114.94 125.68 1hrr s ASN 72 Ca 0.45 1.44 0.18 0.00 0.21 0.00 0.00 52.86 55.14 1hrr s ASN 72 Cb -0.11 -2.45 1.09 0.00 -0.55 0.00 0.00 41.25 39.24 1hrr s ASN 72 CO 0.31 0.11 1.75 -0.37 -2.79 0.00 0.00 177.10 176.11 1hrr h VAL 73 N 3.84 0.48 0.00 -5.21 -1.51 -1.25 0.12 116.25 112.73 1hrr h VAL 73 Ca -0.46 -0.14 -0.02 0.00 -1.23 0.00 0.00 66.70 64.86 1hrr h VAL 73 Cb 1.21 0.05 -0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1hrr h VAL 73 CO 0.69 0.07 -0.09 0.78 -1.23 0.00 0.00 177.57 177.79 1hrr h ASN 74 N 0.40 0.00 -3.72 4.19 2.35 -1.87 0.21 115.58 117.13 1hrr h ASN 74 Ca 0.63 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.95 1hrr h ASN 74 Cb 1.56 0.00 0.17 0.00 0.05 0.00 0.00 38.32 40.10 1hrr h ASN 74 CO -0.35 0.09 0.19 -0.83 -1.65 0.00 0.00 177.43 174.88 1hrr s GLY 75 N -4.22 1.59 0.04 2.83 0.00 0.42 -4.36 107.32 103.63 1hrr s GLY 75 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 1hrr s GLY 75 CO 0.57 0.00 0.03 0.86 0.00 0.00 0.00 173.10 174.57 1hrr s TRP 76 N -3.09 0.30 0.15 1.90 -0.00 -0.35 -0.15 118.94 117.69 1hrr s TRP 76 Ca 0.69 -0.65 0.01 0.00 -0.00 0.00 0.00 56.10 56.15 1hrr s TRP 76 Cb -0.12 -0.22 -0.04 0.00 -0.00 0.00 0.00 33.47 33.09 1hrr s TRP 76 CO 0.56 -0.32 0.01 0.00 -0.00 0.00 0.00 176.95 177.20 1hrr h ALA 78 N 2.77 1.85 0.02 0.00 0.00 -0.92 -0.57 119.26 122.41 1hrr h ALA 78 Ca -0.36 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1hrr h ALA 78 Cb 1.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1hrr h ALA 78 CO 0.62 -0.08 -0.11 0.77 0.00 0.00 0.00 179.25 180.44 1hrr h SER 79 N 0.67 -0.32 0.00 0.00 0.02 -1.98 -3.46 113.55 108.48 1hrr h SER 79 Ca 0.43 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1hrr h SER 79 Cb 0.70 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1hrr h SER 79 CO -0.19 -0.16 0.00 1.87 -1.14 0.00 0.00 176.83 177.21 1hrr n TRP 80 N -5.24 0.00 -0.05 3.45 -0.00 -0.22 -4.94 117.44 110.43 1hrr n TRP 80 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.44 1hrr n TRP 80 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.47 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 -0.10 -1.59 5.87 -1.04 -1.26 -4.53 114.28 111.63 1hrr n THR 81 Ca 0.00 0.00 -0.51 0.00 -2.04 0.00 0.00 64.05 61.50 1hrr n THR 81 Cb 0.00 -0.14 -0.05 0.00 -1.82 0.00 0.00 70.33 68.32 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 0.00 1.63 -4.54 -4.42 0.00 -1.26 0.15 117.00 108.56 1hrr n LEU 82 Ca 0.00 1.13 -0.28 0.00 0.00 0.00 0.00 56.01 56.86 1hrr n LEU 82 Cb 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 43.42 42.12 1hrr n LEU 82 CO 0.00 -1.11 1.83 1.17 0.00 0.00 0.00 177.39 179.28 1hrr n LYS 83 N 2.30 0.54 -1.57 1.96 4.81 0.05 -4.23 118.16 122.02 1hrr n LYS 83 Ca 0.17 -0.26 -0.41 0.00 -0.87 0.00 0.00 58.31 56.95 1hrr n LYS 83 Cb 0.21 -2.78 -0.01 0.00 0.02 0.00 0.00 35.03 32.47 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 14.16 6.52 -0.29 3.14 0.00 -1.26 -4.89 120.51 137.88 1hrr n ALA 84 Ca 0.50 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 50.20 1hrr n ALA 84 Cb 0.35 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.39 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91