#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 2.74 0.78 -0.43 0.00 -1.26 -5.09 121.76 118.50 1hrr s ALA 2 Ca 0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 1hrr s ALA 2 Cb 0.00 -1.01 0.07 0.00 0.00 0.00 0.00 23.12 22.18 1hrr s ALA 2 CO 0.00 0.56 1.18 -1.25 0.00 0.00 0.00 175.76 176.26 1hrr s PRO 3 N -0.85 1.87 0.27 0.00 0.04 -1.26 -4.89 135.00 130.17 1hrr s PRO 3 Ca 0.12 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 1hrr s PRO 3 Cb -0.11 -1.81 0.44 0.00 0.04 0.00 0.00 34.50 33.07 1hrr s PRO 3 CO 0.02 -2.02 1.86 0.00 0.04 0.00 0.00 177.00 176.90 1hrr h ALA 4 N -0.75 1.41 -0.06 8.56 0.00 -1.99 0.63 119.26 127.06 1hrr h ALA 4 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1hrr h ALA 4 Cb 1.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1hrr h ALA 4 CO 0.48 0.36 0.00 0.27 0.00 0.00 0.00 179.25 180.36 1hrr n ASN 5 N -4.55 0.58 -4.74 0.00 6.94 -1.26 -4.94 115.26 107.29 1hrr n ASN 5 Ca 0.16 -2.02 -0.36 0.00 -0.02 0.00 0.00 54.58 52.35 1hrr n ASN 5 Cb 0.24 -0.16 0.07 0.00 -2.36 0.00 0.00 39.78 37.56 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 -1.72 2.34 -0.44 -2.53 0.00 0.21 -0.30 121.76 119.31 1hrr s ALA 6 Ca 0.04 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 1hrr s ALA 6 Cb 0.02 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1hrr s ALA 6 CO 0.02 -1.56 1.20 0.08 0.00 0.00 0.00 175.76 175.50 1hrr s VAL 7 N -1.69 4.17 0.41 0.00 1.01 0.65 -4.68 120.40 120.27 1hrr s VAL 7 Ca 0.78 1.21 -0.22 0.00 0.00 0.00 0.00 61.98 63.75 1hrr s VAL 7 Cb -0.32 -4.49 -0.10 0.00 0.00 0.00 0.00 36.38 31.47 1hrr s VAL 7 CO 0.40 -0.89 0.97 0.00 0.00 0.00 0.00 175.10 175.58 1hrr s ALA 8 N 4.59 3.05 0.26 5.51 0.00 -1.26 -4.81 121.76 129.10 1hrr s ALA 8 Ca 0.51 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 1hrr s ALA 8 Cb -0.09 -3.18 0.52 0.00 0.00 0.00 0.00 23.12 20.37 1hrr s ALA 8 CO 0.30 0.05 1.78 0.00 0.00 0.00 0.00 175.76 177.89 1hrr h ALA 9 N 2.16 1.32 -0.36 0.00 0.00 -1.95 -0.71 119.26 119.72 1hrr h ALA 9 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1hrr h ALA 9 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1hrr h ALA 9 CO 0.62 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 1hrr n ASP 10 N -4.80 2.31 -4.72 0.00 5.75 -1.26 -4.30 116.55 109.53 1hrr n ASP 10 Ca 0.17 -2.10 -0.37 0.00 -0.01 0.00 0.00 54.79 52.48 1hrr n ASP 10 Cb 0.40 -0.32 0.07 0.00 -1.03 0.00 0.00 41.12 40.24 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 0.54 1.93 -0.18 -1.12 -0.08 -0.27 -4.82 116.55 112.55 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 0.41 -1.54 0.01 0.00 2.34 0.00 0.00 41.12 42.33 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 0.49 0.69 -0.43 -1.67 0.00 -1.92 0.95 119.26 117.37 1hrr h ALA 12 Ca -0.51 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.12 1hrr h ALA 12 Cb 1.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1hrr h ALA 12 CO 0.53 0.51 0.28 1.15 0.00 0.00 0.00 179.25 181.71 1hrr h THR 13 N 0.77 1.10 -0.33 0.00 2.02 -1.95 -0.30 112.91 114.22 1hrr h THR 13 Ca 0.14 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1hrr h THR 13 Cb 0.53 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1hrr h THR 13 CO 0.03 0.10 0.21 0.00 0.37 0.00 0.00 175.52 176.23 1hrr h ALA 14 N 1.17 0.42 0.05 6.16 0.00 -1.66 0.62 119.26 126.01 1hrr h ALA 14 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1hrr h ALA 14 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1hrr h ALA 14 CO -0.04 -0.10 -0.21 0.82 0.00 0.00 0.00 179.25 179.71 1hrr h ILE 15 N 0.43 0.52 -0.98 0.00 2.04 -0.56 0.52 117.51 119.48 1hrr h ILE 15 Ca 0.12 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.13 1hrr h ILE 15 Cb -0.02 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 36.48 1hrr h ILE 15 CO -0.02 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.73 1hrr h ALA 16 N 0.49 1.54 -0.05 1.87 0.00 -0.64 -0.64 119.26 121.82 1hrr h ALA 16 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1hrr h ALA 16 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1hrr h ALA 16 CO -0.16 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1hrr n LEU 17 N -4.70 1.50 -3.75 0.00 4.77 0.17 -4.93 117.00 110.06 1hrr n LEU 17 Ca 0.20 -0.54 -0.29 0.00 -0.03 0.00 0.00 56.01 55.36 1hrr n LEU 17 Cb 0.44 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1hrr n LEU 17 CO 0.24 0.27 -0.02 0.29 -1.33 0.00 0.00 177.39 176.84 1hrr n LYS 18 N 0.18 -3.33 -2.28 3.23 4.76 0.16 -0.45 118.16 120.42 1hrr n LYS 18 Ca 0.18 0.41 -0.34 0.00 -2.87 0.00 0.00 58.31 55.69 1hrr n LYS 18 Cb 0.34 -5.13 -0.00 0.00 -1.84 0.00 0.00 35.03 28.39 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 -3.07 2.80 0.01 2.13 6.14 0.35 -4.40 117.35 121.31 1hrr s TYR 19 Ca 0.56 1.55 0.02 0.00 0.64 0.00 0.00 57.07 59.84 1hrr s TYR 19 Cb -0.30 -3.18 -0.01 0.00 0.42 0.00 0.00 41.96 38.89 1hrr s TYR 19 CO 0.69 -1.30 -0.06 1.21 0.64 0.00 0.00 175.55 176.73 1hrr s ASN 20 N -2.01 0.67 0.14 4.32 3.84 -0.55 -4.80 114.94 116.55 1hrr s ASN 20 Ca 0.70 -0.21 -0.12 0.00 0.21 0.00 0.00 52.86 53.43 1hrr s ASN 20 Cb -0.20 -0.04 -0.01 0.00 -0.55 0.00 0.00 41.25 40.44 1hrr s ASN 20 CO 0.27 -0.01 1.54 -0.61 -2.79 0.00 0.00 177.10 175.50 1hrr h GLN 21 N 5.63 0.88 -5.37 0.43 -0.00 -1.87 -0.71 115.11 114.09 1hrr h GLN 21 Ca -0.30 -0.36 -0.64 0.00 -0.00 0.00 0.00 58.65 57.35 1hrr h GLN 21 Cb 1.19 -0.04 -0.15 0.00 0.00 0.00 0.00 27.48 28.49 1hrr h GLN 21 CO 0.48 1.00 0.59 0.34 0.00 0.00 0.00 178.83 181.24 1hrr s ASP 22 N -6.54 6.25 0.39 -0.69 -1.08 -1.26 -2.83 116.67 110.91 1hrr s ASP 22 Ca -0.12 -1.18 0.16 0.00 -0.52 0.00 0.00 52.55 50.90 1hrr s ASP 22 Cb 0.11 -2.41 1.04 0.00 -1.46 0.00 0.00 42.92 40.19 1hrr s ASP 22 CO 0.84 -1.38 1.80 0.00 0.52 0.00 0.00 175.17 176.96 1hrr h ALA 23 N 9.45 2.13 -0.08 3.66 0.00 -1.67 -2.31 119.26 130.45 1hrr h ALA 23 Ca -0.21 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hrr h ALA 23 Cb 1.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1hrr h ALA 23 CO 1.17 -0.49 0.02 1.79 0.00 0.00 0.00 179.25 181.74 1hrr h THR 24 N 0.46 1.04 -0.40 0.00 1.35 -1.91 -0.23 112.91 113.23 1hrr h THR 24 Ca 0.55 -0.14 -0.23 0.00 -0.55 0.00 0.00 66.41 66.04 1hrr h THR 24 Cb 1.28 0.96 -0.14 0.00 -1.73 0.00 0.00 68.15 68.53 1hrr h THR 24 CO -0.26 0.05 -0.13 0.29 -0.25 0.00 0.00 175.52 175.21 1hrr n LYS 25 N -4.49 2.00 -1.87 4.72 5.02 -0.89 -4.95 118.16 117.70 1hrr n LYS 25 Ca -0.02 -3.30 -0.25 0.00 -2.02 0.00 0.00 58.31 52.73 1hrr n LYS 25 Cb 0.11 -1.87 0.16 0.00 -0.02 0.00 0.00 35.03 33.41 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 -1.08 0.40 -0.00 4.39 2.88 -0.10 -4.91 113.62 115.20 1hrr n SER 26 Ca 0.35 -1.59 0.15 0.00 -1.33 0.00 0.00 58.87 56.45 1hrr n SER 26 Cb 1.00 -0.81 0.91 0.00 -0.75 0.00 0.00 64.21 64.55 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 -3.26 1.00 -0.20 -1.46 1.02 -1.26 -4.47 120.64 112.01 1hrr n GLU 27 Ca 0.15 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1hrr n GLU 27 Cb 0.52 -1.48 0.11 0.00 -0.02 0.00 0.00 31.44 30.57 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 0.01 0.37 -0.67 3.49 0.11 -1.92 0.21 114.38 115.98 1hrr h ARG 28 Ca 0.00 -0.02 0.03 0.00 0.10 0.00 0.00 59.98 60.09 1hrr h ARG 28 Cb 0.00 -0.08 -0.04 0.00 1.11 0.00 0.00 29.97 30.95 1hrr h ARG 28 CO 0.00 0.25 0.41 0.28 0.10 0.00 0.00 179.97 181.01 1hrr h VAL 29 N 0.38 1.07 -0.10 0.08 2.07 -1.86 0.27 116.25 118.16 1hrr h VAL 29 Ca 0.31 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1hrr h VAL 29 Cb 0.41 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1hrr h VAL 29 CO -0.33 0.15 -0.08 0.00 0.02 0.00 0.00 177.57 177.33 1hrr h ALA 30 N 1.30 0.15 -0.46 1.67 0.00 -1.21 -3.26 119.26 117.44 1hrr h ALA 30 Ca 0.27 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1hrr h ALA 30 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1hrr h ALA 30 CO -0.12 -0.03 -0.26 0.00 0.00 0.00 0.00 179.25 178.84 1hrr h ALA 31 N 0.60 0.67 -6.91 0.00 0.00 -0.61 -3.48 119.26 109.52 1hrr h ALA 31 Ca 0.02 -0.41 -0.59 0.00 0.00 0.00 0.00 54.91 53.93 1hrr h ALA 31 Cb 0.58 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1hrr h ALA 31 CO 0.02 0.68 -0.98 0.00 0.00 0.00 0.00 179.25 178.97 1hrr n ALA 32 N -2.53 -2.32 -1.76 0.00 0.00 0.94 -4.88 120.51 109.96 1hrr n ALA 32 Ca -0.00 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 1hrr n ALA 32 Cb 0.48 -1.90 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 -4.77 2.55 -2.11 0.00 1.74 -1.26 -4.94 116.66 107.88 1hrr n ARG 33 Ca -0.21 0.90 -0.37 0.00 -0.77 0.00 0.00 57.85 57.39 1hrr n ARG 33 Cb 0.63 -2.61 0.01 0.00 -1.02 0.00 0.00 32.46 29.47 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 -2.10 3.49 0.00 5.56 0.04 -1.26 -4.45 135.00 136.29 1hrr s PRO 34 Ca 0.54 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1hrr s PRO 34 Cb -0.49 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1hrr s PRO 34 CO 0.63 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1hrr n GLY 35 N 0.50 1.85 3.38 0.56 0.00 -1.26 -4.71 105.19 105.50 1hrr n GLY 35 Ca 0.09 -0.22 -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 0.58 0.49 0.99 2.96 -1.26 -5.03 118.68 117.41 1hrr s LEU 36 Ca 0.00 -0.58 -0.21 0.00 -0.22 0.00 0.00 54.13 53.11 1hrr s LEU 36 Cb 0.00 1.65 -0.07 0.00 0.50 0.00 0.00 46.19 48.27 1hrr s LEU 36 CO 0.00 -0.92 1.14 -2.16 -1.32 0.00 0.00 176.35 173.09 1hrr s PRO 37 N -3.88 3.63 0.25 0.98 0.04 -1.26 -4.80 135.00 129.95 1hrr s PRO 37 Ca 0.10 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 1hrr s PRO 37 Cb 0.02 -2.24 0.45 0.00 0.04 0.00 0.00 34.50 32.76 1hrr s PRO 37 CO -0.05 -0.64 1.79 -1.00 0.04 0.00 0.00 177.00 177.14 1hrr h PRO 38 N 1.72 0.69 0.00 0.56 0.13 -1.90 -0.92 132.00 132.29 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 0.59 0.46 -0.04 0.93 -0.23 0.00 0.00 178.00 179.71 1hrr h GLU 39 N 0.71 0.00 0.00 0.86 4.39 -1.92 0.28 114.58 118.90 1hrr h GLU 39 Ca 0.42 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.07 1hrr h GLU 39 Cb 0.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1hrr h GLU 39 CO -0.30 0.04 -0.26 1.49 -1.16 0.00 0.00 179.01 178.82 1hrr h GLU 40 N 0.00 0.00 -6.26 2.33 4.22 -1.52 -3.46 114.58 109.89 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 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1hrr h GLU 40 CO 0.00 0.26 1.10 -0.65 -2.18 0.00 0.00 179.01 177.55 1hrr s GLN 41 N -3.13 4.15 -0.05 1.92 -0.21 0.97 -4.85 119.66 118.47 1hrr s GLN 41 Ca 0.05 2.17 -0.30 0.00 0.02 0.00 0.00 55.36 57.30 1hrr s GLN 41 Cb 0.07 -4.00 0.08 0.00 1.00 0.00 0.00 33.01 30.17 1hrr s GLN 41 CO 0.70 -0.89 0.75 -3.38 -2.12 0.00 0.00 175.29 170.36 1hrr s HIS 42 N 4.15 -0.56 0.36 0.91 -3.43 -1.26 -4.80 115.29 110.67 1hrr s HIS 42 Ca 0.74 0.86 0.19 0.00 -0.80 0.00 0.00 55.06 56.05 1hrr s HIS 42 Cb -0.33 0.45 1.28 0.00 -1.43 0.00 0.00 32.58 32.54 1hrr s HIS 42 CO 0.30 -0.58 1.61 0.00 -2.00 0.00 0.00 174.74 174.07 1hrr h ALA 44 N 1.94 2.39 -0.26 0.00 0.00 -1.05 0.81 119.26 123.08 1hrr h ALA 44 Ca 0.81 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.74 1hrr h ALA 44 Cb 2.09 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.94 1hrr h ALA 44 CO -0.71 -0.90 -0.06 0.27 0.00 0.00 0.00 179.25 177.85 1hrr n ASN 45 N -4.70 2.92 -4.91 0.00 0.23 0.52 -5.00 115.26 104.33 1hrr n ASN 45 Ca 0.31 -3.43 -0.30 0.00 -0.53 0.00 0.00 54.58 50.62 1hrr n ASN 45 Cb 1.10 -0.57 -0.04 0.00 -2.08 0.00 0.00 39.78 38.18 1hrr n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hrr s GLN 47 N -2.82 -1.03 0.97 0.00 0.74 0.16 -4.32 119.66 113.36 1hrr s GLN 47 Ca 0.40 0.75 0.00 0.00 0.05 0.00 0.00 55.36 56.56 1hrr s GLN 47 Cb -0.12 -1.55 0.00 0.00 1.10 0.00 0.00 33.01 32.44 1hrr s GLN 47 CO 0.26 -3.78 0.00 1.19 -0.55 0.00 0.00 175.29 172.42 1hrr n PHE 48 N -4.94 -1.78 0.00 1.67 3.72 0.19 -4.92 117.46 111.39 1hrr n PHE 48 Ca 0.03 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 1hrr n PHE 48 Cb 0.55 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1hrr n PHE 48 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1hrr n MET 49 N -1.24 0.00 -3.62 -1.08 2.81 -1.26 -4.95 117.12 107.78 1hrr n MET 49 Ca 0.00 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.61 1hrr n MET 49 Cb 0.08 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.48 1hrr n MET 49 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1hrr s GLN 50 N -2.73 1.55 0.50 0.03 -0.21 0.48 -4.49 119.66 114.79 1hrr s GLN 50 Ca 0.00 -2.58 0.29 0.00 0.02 0.00 0.00 55.36 53.08 1hrr s GLN 50 Cb 0.00 -2.29 1.22 0.00 1.00 0.00 0.00 33.01 32.93 1hrr s GLN 50 CO 0.00 -1.33 1.94 0.00 -2.12 0.00 0.00 175.29 173.79 1hrr h ALA 51 N 5.66 1.05 0.00 6.09 0.00 -1.96 -0.93 119.26 129.17 1hrr h ALA 51 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hrr h ALA 51 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1hrr h ALA 51 CO 0.52 0.15 0.00 0.38 0.00 0.00 0.00 179.25 180.30 1hrr h ASP 52 N 0.00 0.00 -2.51 0.00 2.03 -1.94 -3.44 116.42 110.55 1hrr h ASP 52 Ca -0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 1hrr h ASP 52 Cb 0.57 0.00 0.08 0.00 -0.83 0.00 0.00 39.33 39.16 1hrr h ASP 52 CO 0.02 0.00 0.50 0.00 -1.03 0.00 0.00 179.24 178.73 1hrr n ALA 53 N -1.96 0.60 -1.67 4.15 0.00 -0.64 -4.78 120.51 116.21 1hrr n ALA 53 Ca -0.00 0.42 -0.48 0.00 0.00 0.00 0.00 53.44 53.38 1hrr n ALA 53 Cb 0.20 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.40 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 1.68 0.93 -0.76 0.00 0.00 -1.26 -0.78 120.51 120.32 1hrr n ALA 54 Ca 0.12 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1hrr n ALA 54 Cb 0.30 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 4.56 0.61 3.68 0.00 0.00 -1.26 -4.93 105.19 107.85 1hrr n GLY 55 Ca 0.24 -0.14 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 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 0.27 1.49 -1.99 4.61 0.00 0.04 -4.94 120.51 119.99 1hrr n ALA 56 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1hrr n ALA 56 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.10 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 2.88 0.00 0.21 0.00 -2.24 0.74 -4.99 114.28 110.88 1hrr n THR 57 Ca 0.15 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.96 1hrr n THR 57 Cb 0.31 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 1hrr n THR 57 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1hrr n ASP 58 N 0.00 1.25 0.07 3.42 8.00 -1.26 -4.56 116.55 123.47 1hrr n ASP 58 Ca 0.00 -0.46 -0.13 0.00 0.71 0.00 0.00 54.79 54.91 1hrr n ASP 58 Cb 0.00 1.09 -0.14 0.00 -0.02 0.00 0.00 41.12 42.05 1hrr n ASP 58 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1hrr h GLU 59 N 0.00 0.17 -5.30 -1.24 4.57 -1.96 -3.43 114.58 107.39 1hrr h GLU 59 Ca 0.00 -0.29 -0.67 0.00 -1.18 0.00 0.00 59.36 57.21 1hrr h GLU 59 Cb 0.20 0.11 -0.32 0.00 -0.16 0.00 0.00 28.75 28.57 1hrr h GLU 59 CO 0.00 1.06 -0.86 -1.58 -1.18 0.00 0.00 179.01 176.45 1hrr s TRP 60 N -2.65 2.63 0.23 0.92 0.52 -1.26 -0.81 118.94 118.52 1hrr s TRP 60 Ca -0.05 -1.04 0.01 0.00 0.02 0.00 0.00 56.10 55.04 1hrr s TRP 60 Cb 0.08 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 1hrr s TRP 60 CO 0.85 -0.43 0.16 0.21 0.02 0.00 0.00 176.95 177.76 1hrr s LYS 61 N 0.45 1.33 0.33 4.98 2.47 -0.08 -0.18 119.74 129.03 1hrr s LYS 61 Ca -0.15 -1.72 -0.02 0.00 -1.56 0.00 0.00 55.97 52.52 1hrr s LYS 61 Cb -0.17 0.24 -0.04 0.00 -1.46 0.00 0.00 37.83 36.40 1hrr s LYS 61 CO 0.06 -0.44 0.56 0.20 0.16 0.00 0.00 175.35 175.89 1hrr s GLY 62 N -3.22 1.56 0.07 5.54 0.00 -0.45 0.06 107.32 110.89 1hrr s GLY 62 Ca 0.39 -0.75 0.09 0.00 0.00 0.00 0.00 44.72 44.46 1hrr s GLY 62 CO 0.15 -0.66 -0.26 0.00 0.00 0.00 0.00 173.10 172.33 1hrr h GLN 64 N 4.56 0.37 0.00 0.00 4.20 -1.93 0.98 115.11 123.29 1hrr h GLN 64 Ca -0.47 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.16 1hrr h GLN 64 Cb 1.15 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1hrr h GLN 64 CO 0.42 0.46 0.00 1.28 -0.67 0.00 0.00 178.83 180.32 1hrr n LEU 65 N -4.28 0.00 -3.12 1.46 4.32 -1.26 -4.33 117.00 109.78 1hrr n LEU 65 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.81 1hrr n LEU 65 Cb 0.25 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.03 1hrr n LEU 65 CO 0.38 0.00 -0.17 0.33 -1.22 0.00 0.00 177.39 176.71 1hrr n PHE 66 N -0.65 -0.46 -2.28 -1.77 -0.00 0.34 -5.13 117.46 107.51 1hrr n PHE 66 Ca 0.07 -3.47 -0.38 0.00 -0.00 0.00 0.00 57.45 53.67 1hrr n PHE 66 Cb 0.03 -0.10 -0.02 0.00 -0.00 0.00 0.00 39.48 39.40 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 -1.63 3.95 0.00 -7.13 0.04 -1.25 -3.59 135.00 125.39 1hrr s PRO 67 Ca 0.36 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1hrr s PRO 67 Cb 0.28 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1hrr s PRO 67 CO -0.10 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1hrr n GLY 68 N 0.55 1.03 3.74 0.56 0.00 -1.26 -4.93 105.19 104.88 1hrr n GLY 68 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 0.65 -0.18 1.61 1.02 -1.24 -4.74 119.74 116.86 1hrr s LYS 69 Ca 0.00 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.28 1hrr s LYS 69 Cb 0.00 -1.78 0.03 0.00 -0.52 0.00 0.00 37.83 35.56 1hrr s LYS 69 CO 0.00 -2.53 -0.15 -0.51 -0.92 0.00 0.00 175.35 171.24 1hrr s LEU 70 N -6.25 2.11 0.70 3.17 1.43 0.58 -4.49 118.68 115.94 1hrr s LEU 70 Ca 0.65 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 1hrr s LEU 70 Cb -0.15 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1hrr s LEU 70 CO 0.55 -0.07 1.09 0.27 0.23 0.00 0.00 176.35 178.41 1hrr s ILE 71 N 1.37 3.48 -0.01 -0.59 -4.36 0.11 -0.26 121.20 120.95 1hrr s ILE 71 Ca 0.02 0.56 -0.20 0.00 -0.26 0.00 0.00 60.65 60.77 1hrr s ILE 71 Cb -0.14 -3.11 -0.05 0.00 1.25 0.00 0.00 42.46 40.41 1hrr s ILE 71 CO -0.10 -0.55 0.59 0.21 0.24 0.00 0.00 174.94 175.33 1hrr s ASN 72 N -3.15 6.97 0.53 4.36 3.84 -1.26 -0.91 114.94 125.32 1hrr s ASN 72 Ca 0.63 1.15 0.24 0.00 0.21 0.00 0.00 52.86 55.09 1hrr s ASN 72 Cb -0.17 -2.36 1.38 0.00 -0.55 0.00 0.00 41.25 39.54 1hrr s ASN 72 CO 0.49 0.10 2.03 -0.37 -2.79 0.00 0.00 177.10 176.56 1hrr h VAL 73 N 4.15 0.78 -0.00 -5.21 -1.51 -1.25 0.74 116.25 113.95 1hrr h VAL 73 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1hrr h VAL 73 Cb 1.20 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1hrr h VAL 73 CO 0.70 0.00 -0.01 0.59 -1.23 0.00 0.00 177.57 177.62 1hrr n ASN 74 N -4.39 0.05 -2.75 4.19 3.02 -1.26 -0.47 115.26 113.65 1hrr n ASN 74 Ca 0.07 -0.54 -0.09 0.00 -0.03 0.00 0.00 54.58 53.99 1hrr n ASN 74 Cb 0.50 -0.15 0.06 0.00 -0.61 0.00 0.00 39.78 39.57 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 1.17 -0.45 3.26 7.41 0.00 0.25 -3.08 105.19 113.75 1hrr n GLY 75 Ca 0.18 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.56 -0.13 0.12 1.61 -0.00 -0.27 -0.22 118.94 118.50 1hrr s TRP 76 Ca 0.25 0.02 -0.01 0.00 -0.00 0.00 0.00 56.10 56.36 1hrr s TRP 76 Cb -0.01 0.11 -0.04 0.00 -0.00 0.00 0.00 33.47 33.53 1hrr s TRP 76 CO 0.17 -0.50 0.04 0.00 -0.00 0.00 0.00 176.95 176.66 1hrr h ALA 78 N 2.89 1.66 -0.01 0.00 0.00 -0.97 0.54 119.26 123.36 1hrr h ALA 78 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1hrr h ALA 78 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1hrr h ALA 78 CO 0.60 -0.26 0.00 0.43 0.00 0.00 0.00 179.25 180.02 1hrr n SER 79 N -3.62 0.23 -4.62 0.00 7.64 -1.26 -4.94 113.62 107.04 1hrr n SER 79 Ca 0.01 -1.28 -0.55 0.00 1.01 0.00 0.00 58.87 58.05 1hrr n SER 79 Cb 0.30 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.72 1.56 -3.68 1.43 -0.00 0.18 -4.96 117.44 111.25 1hrr n TRP 80 Ca 0.18 0.68 -0.15 0.00 -0.00 0.00 0.00 57.50 58.22 1hrr n TRP 80 Cb 0.12 -2.33 -0.15 0.00 -0.00 0.00 0.00 31.31 28.95 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 1.35 -0.25 0.20 5.87 2.01 -1.26 -4.97 115.64 118.58 1hrr s THR 81 Ca 0.90 0.30 -0.32 0.00 0.31 0.00 0.00 61.69 62.87 1hrr s THR 81 Cb -1.05 -0.33 -0.14 0.00 0.01 0.00 0.00 72.50 70.99 1hrr s THR 81 CO 0.55 0.12 1.33 -0.11 -0.69 0.00 0.00 174.62 175.83 1hrr n LEU 82 N 5.08 2.44 -4.54 4.42 0.00 -1.26 0.36 117.00 123.50 1hrr n LEU 82 Ca -0.10 1.13 -0.13 0.00 0.00 0.00 0.00 56.01 56.92 1hrr n LEU 82 Cb 0.50 -1.33 -0.11 0.00 0.00 0.00 0.00 43.42 42.48 1hrr n LEU 82 CO 0.07 -0.79 1.07 1.17 0.00 0.00 0.00 177.39 178.90 1hrr n LYS 83 N 2.12 0.12 -2.90 1.96 4.81 0.22 -4.22 118.16 120.26 1hrr n LYS 83 Ca 0.14 -1.52 -0.37 0.00 -0.87 0.00 0.00 58.31 55.69 1hrr n LYS 83 Cb 0.28 -3.72 -0.01 0.00 0.02 0.00 0.00 35.03 31.60 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 18.89 5.30 0.00 3.14 0.00 -1.26 -4.87 120.51 141.70 1hrr n ALA 84 Ca 0.39 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 49.12 1hrr n ALA 84 Cb 0.47 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91