#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 -2.07 0.80 -0.43 0.00 -1.26 -5.02 121.76 113.78 1hrr s ALA 2 Ca 0.00 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 1hrr s ALA 2 Cb 0.00 -2.25 0.08 0.00 0.00 0.00 0.00 23.12 20.95 1hrr s ALA 2 CO 0.00 -1.56 1.11 -1.25 0.00 0.00 0.00 175.76 174.05 1hrr s PRO 3 N 2.78 1.97 0.15 0.00 0.04 -1.26 -4.94 135.00 133.74 1hrr s PRO 3 Ca 0.15 1.28 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 1hrr s PRO 3 Cb -0.13 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1hrr s PRO 3 CO -0.23 -1.87 1.79 0.00 0.04 0.00 0.00 177.00 176.72 1hrr h ALA 4 N -1.25 0.51 -0.10 8.56 0.00 -2.00 -2.45 119.26 122.53 1hrr h ALA 4 Ca -0.44 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.15 1hrr h ALA 4 Cb 1.24 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 1hrr h ALA 4 CO 0.49 -0.01 -0.03 0.27 0.00 0.00 0.00 179.25 179.98 1hrr n ASN 5 N -4.78 5.65 -4.79 0.00 6.94 -1.26 -4.88 115.26 112.14 1hrr n ASN 5 Ca 0.00 -2.62 -0.38 0.00 -0.02 0.00 0.00 54.58 51.56 1hrr n ASN 5 Cb 0.04 -1.39 -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 0.55 3.59 -0.23 -2.53 0.00 -0.93 0.32 121.76 122.53 1hrr s ALA 6 Ca 0.66 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 1hrr s ALA 6 Cb 0.32 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 1hrr s ALA 6 CO -0.04 0.30 1.71 0.08 0.00 0.00 0.00 175.76 177.80 1hrr s VAL 7 N -0.54 3.57 0.38 0.00 1.01 0.35 -4.77 120.40 120.40 1hrr s VAL 7 Ca 0.27 0.63 -0.24 0.00 0.00 0.00 0.00 61.98 62.64 1hrr s VAL 7 Cb -0.17 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1hrr s VAL 7 CO 0.14 -0.29 0.95 0.00 0.00 0.00 0.00 175.10 175.91 1hrr s ALA 8 N 5.71 3.12 0.28 5.51 0.00 -1.26 -4.79 121.76 130.32 1hrr s ALA 8 Ca 0.76 0.48 0.01 0.00 0.00 0.00 0.00 51.96 53.21 1hrr s ALA 8 Cb -0.26 -3.17 0.57 0.00 0.00 0.00 0.00 23.12 20.26 1hrr s ALA 8 CO 0.31 0.12 1.81 0.00 0.00 0.00 0.00 175.76 178.00 1hrr h ALA 9 N 2.53 1.47 -0.40 0.00 0.00 -1.94 -1.00 119.26 119.92 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 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1hrr h ALA 9 CO 0.63 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.58 1hrr n ASP 10 N -4.71 2.22 -4.66 0.00 5.75 -1.26 -4.23 116.55 109.66 1hrr n ASP 10 Ca 0.19 -2.02 -0.38 0.00 -0.01 0.00 0.00 54.79 52.57 1hrr n ASP 10 Cb 0.41 -0.28 0.05 0.00 -1.03 0.00 0.00 41.12 40.26 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 0.67 1.49 -0.21 -1.12 2.03 -0.38 -4.80 116.55 114.23 1hrr n ASP 11 Ca 0.14 0.88 -0.08 0.00 0.52 0.00 0.00 54.79 56.25 1hrr n ASP 11 Cb 0.36 -1.46 0.02 0.00 -0.72 0.00 0.00 41.12 39.33 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 0.86 0.77 -0.47 -1.67 0.00 -1.91 0.18 119.26 117.01 1hrr h ALA 12 Ca -0.49 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1hrr h ALA 12 Cb 1.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1hrr h ALA 12 CO 0.53 0.44 0.17 1.15 0.00 0.00 0.00 179.25 181.55 1hrr h THR 13 N 0.83 1.22 -0.61 0.00 2.02 -1.95 -0.39 112.91 114.02 1hrr h THR 13 Ca 0.19 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.68 1hrr h THR 13 Cb 0.30 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1hrr h THR 13 CO -0.00 0.26 0.39 0.00 0.37 0.00 0.00 175.52 176.54 1hrr h ALA 14 N 1.02 0.79 0.21 6.16 0.00 -1.65 0.14 119.26 125.91 1hrr h ALA 14 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1hrr h ALA 14 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1hrr h ALA 14 CO -0.01 0.17 -0.19 0.82 0.00 0.00 0.00 179.25 180.04 1hrr h ILE 15 N 0.79 0.58 -1.00 0.00 2.04 -0.44 0.55 117.51 120.03 1hrr h ILE 15 Ca 0.23 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.26 1hrr h ILE 15 Cb -0.05 0.58 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 1hrr h ILE 15 CO -0.07 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.70 1hrr h ALA 16 N 0.32 1.62 -0.01 1.87 0.00 -0.54 -0.42 119.26 122.10 1hrr h ALA 16 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1hrr h ALA 16 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1hrr h ALA 16 CO -0.04 0.06 -0.19 1.28 0.00 0.00 0.00 179.25 180.36 1hrr n LEU 17 N -4.70 1.05 -4.10 0.00 4.77 -0.01 -4.95 117.00 109.06 1hrr n LEU 17 Ca 0.21 -0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.59 1hrr n LEU 17 Cb 0.48 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1hrr n LEU 17 CO 0.24 0.19 -0.31 0.29 -1.33 0.00 0.00 177.39 176.47 1hrr n LYS 18 N -0.52 -1.58 -2.58 3.23 4.76 0.17 -0.47 118.16 121.16 1hrr n LYS 18 Ca 0.14 0.22 -0.33 0.00 -2.87 0.00 0.00 58.31 55.46 1hrr n LYS 18 Cb 0.34 -3.73 -0.04 0.00 -1.84 0.00 0.00 35.03 29.75 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 -4.01 3.13 0.01 2.13 6.14 0.35 -3.98 117.35 121.11 1hrr s TYR 19 Ca 0.13 1.57 0.02 0.00 0.64 0.00 0.00 57.07 59.44 1hrr s TYR 19 Cb -0.07 -2.97 -0.01 0.00 0.42 0.00 0.00 41.96 39.34 1hrr s TYR 19 CO 0.95 -0.58 -0.07 1.21 0.64 0.00 0.00 175.55 177.70 1hrr s ASN 20 N -2.19 0.82 0.07 4.32 3.84 -0.20 -4.82 114.94 116.77 1hrr s ASN 20 Ca 0.65 -0.21 -0.17 0.00 0.21 0.00 0.00 52.86 53.34 1hrr s ASN 20 Cb -0.13 -0.06 -0.13 0.00 -0.55 0.00 0.00 41.25 40.38 1hrr s ASN 20 CO 0.20 0.03 1.34 -0.61 -2.79 0.00 0.00 177.10 175.27 1hrr h GLN 21 N 5.67 0.59 -5.52 0.43 -0.00 -1.87 0.05 115.11 114.46 1hrr h GLN 21 Ca -0.30 -0.37 -0.66 0.00 -0.00 0.00 0.00 58.65 57.32 1hrr h GLN 21 Cb 1.19 0.04 -0.14 0.00 0.00 0.00 0.00 27.48 28.57 1hrr h GLN 21 CO 0.48 0.98 1.28 0.34 0.00 0.00 0.00 178.83 181.90 1hrr s ASP 22 N -6.53 6.63 0.54 -0.69 -1.08 -1.26 -2.80 116.67 111.48 1hrr s ASP 22 Ca -0.13 -1.92 0.24 0.00 -0.52 0.00 0.00 52.55 50.23 1hrr s ASP 22 Cb 0.07 -2.49 1.41 0.00 -1.46 0.00 0.00 42.92 40.46 1hrr s ASP 22 CO 0.82 -1.23 2.03 0.00 0.52 0.00 0.00 175.17 177.31 1hrr h ALA 23 N 8.97 2.32 0.00 3.66 0.00 -1.69 0.40 119.26 132.92 1hrr h ALA 23 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1hrr h ALA 23 Cb 0.99 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1hrr h ALA 23 CO 1.28 -0.50 -0.02 1.79 0.00 0.00 0.00 179.25 181.80 1hrr h THR 24 N 0.00 0.24 -0.16 0.00 1.35 -1.89 -0.45 112.91 111.99 1hrr h THR 24 Ca 0.19 -0.14 -0.05 0.00 -0.55 0.00 0.00 66.41 65.85 1hrr h THR 24 Cb 0.78 1.11 -0.03 0.00 -1.73 0.00 0.00 68.15 68.29 1hrr h THR 24 CO -0.00 0.02 -0.11 0.29 -0.25 0.00 0.00 175.52 175.47 1hrr n LYS 25 N -3.38 1.92 -2.05 4.72 5.02 0.10 -4.96 118.16 119.53 1hrr n LYS 25 Ca -0.02 -2.94 -0.31 0.00 -2.02 0.00 0.00 58.31 53.02 1hrr n LYS 25 Cb 0.13 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1hrr n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hrr s SER 26 N -2.60 6.28 0.00 4.39 0.15 -0.18 -4.95 113.70 116.80 1hrr s SER 26 Ca 0.39 1.36 0.10 0.00 0.70 0.00 0.00 55.95 58.50 1hrr s SER 26 Cb 0.35 -2.44 0.58 0.00 -1.71 0.00 0.00 66.02 62.80 1hrr s SER 26 CO 0.02 -0.79 1.04 -1.84 1.20 0.00 0.00 173.24 172.87 1hrr n GLU 27 N -2.52 0.54 -0.34 5.44 0.00 -1.26 -4.27 120.64 118.22 1hrr n GLU 27 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 57.16 57.39 1hrr n GLU 27 Cb 0.54 -1.28 0.39 0.00 0.00 0.00 0.00 31.44 31.09 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 0.55 -0.61 3.44 0.11 -1.94 0.41 114.38 116.35 1hrr h ARG 28 Ca 0.00 -0.03 0.06 0.00 0.10 0.00 0.00 59.98 60.11 1hrr h ARG 28 Cb 0.00 -0.12 -0.06 0.00 1.11 0.00 0.00 29.97 30.90 1hrr h ARG 28 CO 0.00 0.36 0.31 0.28 0.10 0.00 0.00 179.97 181.02 1hrr h VAL 29 N 0.57 0.92 -0.15 0.08 2.07 -1.88 0.29 116.25 118.15 1hrr h VAL 29 Ca 0.65 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.92 1hrr h VAL 29 Cb 1.25 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1hrr h VAL 29 CO -0.48 0.10 -0.14 0.00 0.02 0.00 0.00 177.57 177.07 1hrr h ALA 30 N 1.34 0.21 -0.80 1.67 0.00 -0.62 -3.22 119.26 117.84 1hrr h ALA 30 Ca 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1hrr h ALA 30 Cb 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1hrr h ALA 30 CO -0.20 0.09 0.41 0.00 0.00 0.00 0.00 179.25 179.54 1hrr h ALA 31 N 0.61 1.03 -7.01 0.00 0.00 -0.70 -3.47 119.26 109.72 1hrr h ALA 31 Ca 0.02 -0.14 -0.61 0.00 0.00 0.00 0.00 54.91 54.18 1hrr h ALA 31 Cb 0.66 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1hrr h ALA 31 CO 0.03 0.57 -0.99 0.00 0.00 0.00 0.00 179.25 178.87 1hrr n ALA 32 N -2.39 -2.40 -1.71 0.00 0.00 0.99 -4.87 120.51 110.14 1hrr n ALA 32 Ca 0.08 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 1hrr n ALA 32 Cb 0.12 -1.93 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 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 -4.90 2.32 -1.99 0.00 1.74 -1.26 -4.93 116.66 107.63 1hrr n ARG 33 Ca -0.18 0.82 -0.38 0.00 -0.77 0.00 0.00 57.85 57.34 1hrr n ARG 33 Cb 0.60 -2.49 0.02 0.00 -1.02 0.00 0.00 32.46 29.57 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 -1.19 3.37 0.00 5.56 0.04 -1.26 -4.39 135.00 137.13 1hrr s PRO 34 Ca 0.61 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1hrr s PRO 34 Cb -0.56 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1hrr s PRO 34 CO 0.56 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1hrr n GLY 35 N 0.59 1.74 3.39 0.56 0.00 -1.26 -4.81 105.19 105.39 1hrr n GLY 35 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 0.67 0.53 0.99 2.96 -1.26 -5.08 118.68 117.49 1hrr s LEU 36 Ca 0.00 -0.69 -0.20 0.00 -0.22 0.00 0.00 54.13 53.02 1hrr s LEU 36 Cb 0.00 1.53 -0.06 0.00 0.50 0.00 0.00 46.19 48.16 1hrr s LEU 36 CO 0.00 -0.93 1.12 -2.16 -1.32 0.00 0.00 176.35 173.06 1hrr s PRO 37 N -3.92 3.45 0.23 0.98 0.04 -1.26 -4.82 135.00 129.71 1hrr s PRO 37 Ca 0.13 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 1hrr s PRO 37 Cb 0.02 -2.05 0.39 0.00 0.04 0.00 0.00 34.50 32.90 1hrr s PRO 37 CO -0.03 -0.76 1.75 -1.00 0.04 0.00 0.00 177.00 177.00 1hrr h PRO 38 N 1.32 0.48 0.00 0.56 0.13 -1.89 -0.82 132.00 131.77 1hrr h PRO 38 Ca -0.50 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 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 0.57 0.32 -0.08 0.93 -0.23 0.00 0.00 178.00 179.52 1hrr h GLU 39 N 0.49 0.00 0.00 0.86 4.39 -1.92 0.17 114.58 118.57 1hrr h GLU 39 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 1hrr h GLU 39 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1hrr h GLU 39 CO -0.34 0.08 0.00 0.39 -1.16 0.00 0.00 179.01 177.97 1hrr n GLU 40 N -3.82 0.26 -2.51 2.33 1.02 -0.32 -4.83 120.64 112.77 1hrr n GLU 40 Ca -0.02 0.23 -0.43 0.00 -0.02 0.00 0.00 57.16 56.92 1hrr n GLU 40 Cb 0.17 -1.81 -0.02 0.00 -0.02 0.00 0.00 31.44 29.76 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 -3.12 4.29 0.20 3.49 -0.21 0.59 -4.85 119.66 120.05 1hrr s GLN 41 Ca 0.10 1.57 -0.23 0.00 0.02 0.00 0.00 55.36 56.82 1hrr s GLN 41 Cb 0.12 -3.66 0.05 0.00 1.00 0.00 0.00 33.01 30.52 1hrr s GLN 41 CO 0.58 -0.58 0.83 -3.38 -2.12 0.00 0.00 175.29 170.62 1hrr s HIS 42 N 2.92 -0.20 0.32 0.91 -3.43 -1.26 -4.77 115.29 109.77 1hrr s HIS 42 Ca 0.52 -0.16 0.09 0.00 -0.80 0.00 0.00 55.06 54.72 1hrr s HIS 42 Cb -0.21 0.66 0.89 0.00 -1.43 0.00 0.00 32.58 32.49 1hrr s HIS 42 CO 0.15 -0.99 1.72 0.00 -2.00 0.00 0.00 174.74 173.62 1hrr h ALA 44 N 1.75 1.20 -0.66 0.00 0.00 -0.89 0.68 119.26 121.33 1hrr h ALA 44 Ca 0.65 0.33 -0.47 0.00 0.00 0.00 0.00 54.91 55.42 1hrr h ALA 44 Cb 1.26 0.58 -0.34 0.00 0.00 0.00 0.00 17.79 19.29 1hrr h ALA 44 CO -0.50 -0.58 -0.53 0.27 0.00 0.00 0.00 179.25 177.91 1hrr n ASN 45 N -5.47 4.67 -4.91 0.00 6.94 0.19 -4.98 115.26 111.69 1hrr n ASN 45 Ca 0.23 -3.78 -0.25 0.00 -0.02 0.00 0.00 54.58 50.77 1hrr n ASN 45 Cb 0.77 -0.46 -0.03 0.00 -2.36 0.00 0.00 39.78 37.70 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 -0.72 2.34 0.00 0.00 -0.06 0.15 -4.22 117.38 114.88 1hrr n GLN 47 Ca -0.08 0.83 0.00 0.00 -2.00 0.00 0.00 57.00 55.76 1hrr n GLN 47 Cb 0.55 -2.56 0.00 0.00 -4.06 0.00 0.00 30.24 24.17 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 2.16 0.00 -1.41 3.69 3.72 0.16 -4.92 117.46 120.86 1hrr n PHE 48 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1hrr n PHE 48 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 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 -2.08 -2.99 -1.08 1.56 -1.26 -4.94 117.12 106.32 1hrr n MET 49 Ca 0.00 1.81 -0.43 0.00 -0.27 0.00 0.00 57.70 58.81 1hrr n MET 49 Cb 0.00 -2.02 -0.06 0.00 2.15 0.00 0.00 33.22 33.30 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 -1.64 3.33 0.01 2.12 -0.21 0.55 -4.88 119.66 118.95 1hrr s GLN 50 Ca 0.00 -0.28 -0.18 0.00 0.02 0.00 0.00 55.36 54.91 1hrr s GLN 50 Cb 0.00 -3.98 -0.27 0.00 1.00 0.00 0.00 33.01 29.76 1hrr s GLN 50 CO 0.00 -1.18 1.06 0.00 -2.12 0.00 0.00 175.29 173.05 1hrr h ALA 51 N 9.03 0.02 -0.25 6.09 0.00 -1.92 0.18 119.26 132.39 1hrr h ALA 51 Ca -0.25 -0.67 -0.33 0.00 0.00 0.00 0.00 54.91 53.65 1hrr h ALA 51 Cb 1.09 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 1hrr h ALA 51 CO 0.97 0.48 -0.01 -3.47 0.00 0.00 0.00 179.25 177.22 1hrr n ASP 52 N -4.04 5.83 -0.71 0.00 2.03 -1.26 -4.28 116.55 114.11 1hrr n ASP 52 Ca -0.12 -2.82 0.11 0.00 0.52 0.00 0.00 54.79 52.47 1hrr n ASP 52 Cb 0.82 -1.33 0.32 0.00 -0.72 0.00 0.00 41.12 40.21 1hrr n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hrr n ALA 53 N 1.71 2.49 -1.21 -1.67 0.00 -1.25 -5.06 120.51 115.53 1hrr n ALA 53 Ca 0.45 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1hrr n ALA 53 Cb 0.74 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 0.64 -1.83 -0.78 0.00 0.00 -1.26 -4.75 120.51 112.53 1hrr n ALA 54 Ca 0.17 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1hrr n ALA 54 Cb 0.40 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.98 0.39 3.74 0.00 0.00 -1.26 -4.94 105.19 102.14 1hrr n GLY 55 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1hrr n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hrr s ALA 56 N -2.13 2.62 0.00 4.61 0.00 -1.26 -4.98 121.76 120.62 1hrr s ALA 56 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1hrr s ALA 56 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1hrr s ALA 56 CO 0.00 -1.49 0.00 0.25 0.00 0.00 0.00 175.76 174.52 1hrr n THR 57 N -1.42 0.00 -0.21 0.00 -2.24 0.20 -4.98 114.28 105.62 1hrr n THR 57 Ca 0.13 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 1hrr n THR 57 Cb 0.46 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.87 0.26 3.42 5.19 -2.02 -3.21 116.42 118.20 1hrr h ASP 58 Ca 0.00 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1hrr h ASP 58 Cb 0.00 0.79 0.00 0.00 0.18 0.00 0.00 39.33 40.30 1hrr h ASP 58 CO 0.00 -0.36 -1.58 -0.62 -3.12 0.00 0.00 179.24 173.57 1hrr n GLU 59 N -5.36 0.54 -4.42 3.56 4.71 -1.26 -4.91 120.64 113.51 1hrr n GLU 59 Ca -0.01 -0.09 -0.33 0.00 -0.01 0.00 0.00 57.16 56.71 1hrr n GLU 59 Cb 0.33 -1.59 -0.15 0.00 -1.01 0.00 0.00 31.44 29.02 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 -3.40 2.82 0.19 -0.32 0.52 -1.21 -0.48 118.94 117.05 1hrr s TRP 60 Ca -0.04 -0.99 0.01 0.00 0.02 0.00 0.00 56.10 55.11 1hrr s TRP 60 Cb 0.13 -1.92 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 1hrr s TRP 60 CO 0.87 -0.46 0.03 0.15 0.02 0.00 0.00 176.95 177.56 1hrr s LYS 61 N 0.89 1.16 0.38 4.98 3.01 0.14 -0.62 119.74 129.68 1hrr s LYS 61 Ca -0.03 -1.58 -0.08 0.00 -1.01 0.00 0.00 55.97 53.26 1hrr s LYS 61 Cb -0.15 -0.20 -0.06 0.00 -1.01 0.00 0.00 37.83 36.41 1hrr s LYS 61 CO -0.01 -0.19 0.71 0.20 0.51 0.00 0.00 175.35 176.58 1hrr s GLY 62 N -3.19 1.87 0.12 -3.33 0.00 0.61 0.26 107.32 103.66 1hrr s GLY 62 Ca 0.28 -0.33 0.09 0.00 0.00 0.00 0.00 44.72 44.75 1hrr s GLY 62 CO 0.06 -0.17 -0.21 0.00 0.00 0.00 0.00 173.10 172.78 1hrr n GLN 64 N 0.86 2.24 -2.09 0.00 3.00 -1.26 -0.42 117.38 119.71 1hrr n GLN 64 Ca -0.18 0.81 -0.17 0.00 -0.01 0.00 0.00 57.00 57.45 1hrr n GLN 64 Cb 0.54 -2.59 -0.03 0.00 0.00 0.00 0.00 30.24 28.16 1hrr n GLN 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1hrr n LEU 65 N 3.75 -1.48 -3.25 1.08 4.32 -1.26 -4.91 117.00 115.24 1hrr n LEU 65 Ca 0.17 0.20 -0.26 0.00 -0.02 0.00 0.00 56.01 56.10 1hrr n LEU 65 Cb 0.30 -2.56 -0.06 0.00 -1.62 0.00 0.00 43.42 39.48 1hrr n LEU 65 CO 0.64 -0.44 0.01 0.49 -1.22 0.00 0.00 177.39 176.87 1hrr n PHE 66 N -3.18 2.83 -2.82 -1.77 3.72 0.44 -5.11 117.46 111.57 1hrr n PHE 66 Ca -0.19 -4.00 -0.38 0.00 -0.05 0.00 0.00 57.45 52.83 1hrr n PHE 66 Cb 0.62 -0.50 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 1hrr n PHE 66 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1hrr s PRO 67 N -2.50 4.63 0.00 -1.08 0.04 -1.26 -3.91 135.00 130.92 1hrr s PRO 67 Ca 0.41 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1hrr s PRO 67 Cb 0.20 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1hrr s PRO 67 CO -0.06 0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.77 1hrr n GLY 68 N 0.93 1.21 3.74 0.56 0.00 -1.26 -4.90 105.19 105.47 1hrr n GLY 68 Ca -0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 2.45 -0.13 1.61 1.02 -1.26 -4.86 119.74 118.58 1hrr s LYS 69 Ca 0.00 1.60 0.02 0.00 0.02 0.00 0.00 55.97 57.61 1hrr s LYS 69 Cb 0.00 -1.89 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1hrr s LYS 69 CO 0.00 -1.56 -0.19 -0.51 -0.92 0.00 0.00 175.35 172.16 1hrr s LEU 70 N -5.00 1.95 0.73 3.17 1.43 0.15 -4.63 118.68 116.49 1hrr s LEU 70 Ca 0.71 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 1hrr s LEU 70 Cb -0.25 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.70 1hrr s LEU 70 CO 0.43 0.06 1.07 0.27 0.23 0.00 0.00 176.35 178.41 1hrr s ILE 71 N 0.87 3.71 0.02 -0.59 -5.25 0.14 -0.50 121.20 119.61 1hrr s ILE 71 Ca -0.07 0.55 -0.19 0.00 -0.99 0.00 0.00 60.65 59.95 1hrr s ILE 71 Cb -0.15 -3.21 -0.06 0.00 2.95 0.00 0.00 42.46 41.99 1hrr s ILE 71 CO -0.01 -0.73 0.56 0.21 -1.79 0.00 0.00 174.94 173.18 1hrr s ASN 72 N -3.67 6.99 0.41 4.36 3.84 -1.26 -0.68 114.94 124.92 1hrr s ASN 72 Ca 0.59 1.18 0.19 0.00 0.21 0.00 0.00 52.86 55.03 1hrr s ASN 72 Cb -0.15 -2.35 1.11 0.00 -0.55 0.00 0.00 41.25 39.31 1hrr s ASN 72 CO 0.55 0.19 1.79 -0.37 -2.79 0.00 0.00 177.10 176.47 1hrr h VAL 73 N 3.87 0.55 0.00 -5.21 -1.51 -1.13 0.13 116.25 112.95 1hrr h VAL 73 Ca -0.47 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1hrr h VAL 73 Cb 1.21 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1hrr h VAL 73 CO 0.67 0.07 0.00 0.78 -1.23 0.00 0.00 177.57 177.86 1hrr h ASN 74 N 0.39 0.00 -3.75 4.19 2.35 -1.85 0.19 115.58 117.10 1hrr h ASN 74 Ca 0.57 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.89 1hrr h ASN 74 Cb 1.46 0.00 0.18 0.00 0.05 0.00 0.00 38.32 40.01 1hrr h ASN 74 CO -0.26 0.00 0.28 -0.83 -1.65 0.00 0.00 177.43 174.96 1hrr s GLY 75 N -3.91 1.68 0.03 2.83 0.00 0.46 -3.77 107.32 104.64 1hrr s GLY 75 Ca 0.03 -1.09 -0.10 0.00 0.00 0.00 0.00 44.72 43.57 1hrr s GLY 75 CO 0.50 -0.25 0.20 0.86 0.00 0.00 0.00 173.10 174.40 1hrr s TRP 76 N -3.44 0.03 0.15 1.90 -0.00 0.00 -0.12 118.94 117.46 1hrr s TRP 76 Ca 0.73 -0.19 -0.01 0.00 -0.00 0.00 0.00 56.10 56.63 1hrr s TRP 76 Cb -0.07 -0.02 -0.04 0.00 -0.00 0.00 0.00 33.47 33.34 1hrr s TRP 76 CO 0.55 -0.40 0.07 0.00 -0.00 0.00 0.00 176.95 177.16 1hrr h ALA 78 N 2.78 1.48 -0.02 0.00 0.00 -0.90 0.13 119.26 122.73 1hrr h ALA 78 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1hrr h ALA 78 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1hrr h ALA 78 CO 0.58 -0.13 0.00 0.43 0.00 0.00 0.00 179.25 180.13 1hrr n SER 79 N -3.56 0.36 -4.66 0.00 7.64 -1.26 -4.95 113.62 107.19 1hrr n SER 79 Ca -0.01 -1.28 -0.57 0.00 1.01 0.00 0.00 58.87 58.02 1hrr n SER 79 Cb 0.19 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.64 1.76 -3.64 1.43 -0.00 0.03 -4.94 117.44 111.43 1hrr n TRP 80 Ca 0.19 0.65 -0.29 0.00 -0.00 0.00 0.00 57.50 58.06 1hrr n TRP 80 Cb 0.15 -2.38 -0.15 0.00 -0.00 0.00 0.00 31.31 28.93 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 2.26 0.32 -0.64 5.87 2.01 -1.26 -5.01 115.64 119.19 1hrr s THR 81 Ca 0.94 -0.85 -0.39 0.00 0.31 0.00 0.00 61.69 61.69 1hrr s THR 81 Cb -1.08 -1.15 -0.20 0.00 0.01 0.00 0.00 72.50 70.08 1hrr s THR 81 CO 0.60 -0.57 2.27 -0.11 -0.69 0.00 0.00 174.62 176.12 1hrr n LEU 82 N 5.09 0.60 -3.53 4.42 0.00 -1.26 0.31 117.00 122.64 1hrr n LEU 82 Ca -0.05 0.52 -0.38 0.00 0.00 0.00 0.00 56.01 56.10 1hrr n LEU 82 Cb 0.44 -0.89 -0.11 0.00 0.00 0.00 0.00 43.42 42.85 1hrr n LEU 82 CO 0.08 -0.74 1.64 1.17 0.00 0.00 0.00 177.39 179.54 1hrr n LYS 83 N 7.67 0.00 -0.42 1.96 4.81 0.07 -4.69 118.16 127.55 1hrr n LYS 83 Ca 0.57 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 58.10 1hrr n LYS 83 Cb -0.02 -1.20 0.25 0.00 0.02 0.00 0.00 35.03 34.09 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 7.54 2.95 -0.18 3.14 0.00 -1.26 -4.97 120.51 127.72 1hrr n ALA 84 Ca 0.50 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.65 1hrr n ALA 84 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91