#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 -1.93 0.85 -0.43 0.00 -1.26 -4.92 121.76 114.07 1hrr s ALA 2 Ca 0.00 1.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.44 1hrr s ALA 2 Cb 0.00 -2.02 0.10 0.00 0.00 0.00 0.00 23.12 21.20 1hrr s ALA 2 CO 0.00 -1.30 1.09 -1.25 0.00 0.00 0.00 175.76 174.30 1hrr s PRO 3 N 2.77 1.67 0.09 0.00 0.04 -1.26 -4.96 135.00 133.35 1hrr s PRO 3 Ca 0.18 0.88 -0.21 0.00 0.04 0.00 0.00 61.00 61.89 1hrr s PRO 3 Cb -0.15 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 1hrr s PRO 3 CO -0.19 -1.97 1.68 0.00 0.04 0.00 0.00 177.00 176.55 1hrr h ALA 4 N -1.36 0.15 -0.10 8.56 0.00 -2.01 -2.77 119.26 121.73 1hrr h ALA 4 Ca -0.48 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.14 1hrr h ALA 4 Cb 1.27 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1hrr h ALA 4 CO 0.55 -0.30 -0.22 0.27 0.00 0.00 0.00 179.25 179.54 1hrr n ASN 5 N -4.95 5.48 -4.76 0.00 6.94 -1.26 -4.89 115.26 111.83 1hrr n ASN 5 Ca -0.05 -2.62 -0.40 0.00 -0.02 0.00 0.00 54.58 51.50 1hrr n ASN 5 Cb 0.08 -1.37 -0.05 0.00 -2.36 0.00 0.00 39.78 36.07 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 0.43 3.42 -0.34 -2.53 0.00 -1.05 0.28 121.76 121.97 1hrr s ALA 6 Ca 0.62 0.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 1hrr s ALA 6 Cb 0.32 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.50 1hrr s ALA 6 CO -0.04 0.15 1.68 0.08 0.00 0.00 0.00 175.76 177.63 1hrr s VAL 7 N -0.36 3.60 0.39 0.00 1.01 0.46 -4.78 120.40 120.72 1hrr s VAL 7 Ca 0.36 0.62 -0.24 0.00 0.00 0.00 0.00 61.98 62.72 1hrr s VAL 7 Cb -0.21 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1hrr s VAL 7 CO 0.23 -0.50 1.02 0.00 0.00 0.00 0.00 175.10 175.85 1hrr s ALA 8 N 6.38 3.10 0.28 5.51 0.00 -1.26 -4.82 121.76 130.96 1hrr s ALA 8 Ca 0.74 0.64 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1hrr s ALA 8 Cb -0.20 -3.25 0.69 0.00 0.00 0.00 0.00 23.12 20.37 1hrr s ALA 8 CO 0.33 -0.12 1.67 0.00 0.00 0.00 0.00 175.76 177.64 1hrr h ALA 9 N 2.53 1.30 -0.46 0.00 0.00 -1.94 -0.50 119.26 120.19 1hrr h ALA 9 Ca -0.48 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1hrr h ALA 9 Cb 1.21 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1hrr h ALA 9 CO 0.63 -0.42 0.00 -0.40 0.00 0.00 0.00 179.25 179.06 1hrr n ASP 10 N -5.16 3.29 -4.65 0.00 5.75 -1.26 -4.42 116.55 110.10 1hrr n ASP 10 Ca 0.21 -2.25 -0.38 0.00 -0.01 0.00 0.00 54.79 52.36 1hrr n ASP 10 Cb 0.65 -0.45 0.05 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.76 1.27 -0.15 -1.12 2.03 -0.20 -4.81 116.55 114.33 1hrr n ASP 11 Ca 0.18 0.85 -0.10 0.00 0.52 0.00 0.00 54.79 56.24 1hrr n ASP 11 Cb 0.61 -1.44 -0.00 0.00 -0.72 0.00 0.00 41.12 39.57 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 0.70 0.59 -0.69 -1.67 0.00 -1.92 0.10 119.26 116.38 1hrr h ALA 12 Ca -0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1hrr h ALA 12 Cb 1.35 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1hrr h ALA 12 CO 0.52 0.32 0.34 1.15 0.00 0.00 0.00 179.25 181.59 1hrr h THR 13 N 0.60 1.23 -0.08 0.00 2.02 -1.95 -1.07 112.91 113.65 1hrr h THR 13 Ca 0.13 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.70 1hrr h THR 13 Cb 0.40 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1hrr h THR 13 CO 0.01 0.26 -0.02 0.00 0.37 0.00 0.00 175.52 176.14 1hrr h ALA 14 N 1.16 0.05 -0.20 6.16 0.00 -1.67 -0.94 119.26 123.82 1hrr h ALA 14 Ca 0.24 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1hrr h ALA 14 Cb 0.11 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1hrr h ALA 14 CO -0.03 -0.49 -0.19 0.82 0.00 0.00 0.00 179.25 179.35 1hrr h ILE 15 N -0.00 0.49 -0.92 0.00 2.04 -0.57 0.50 117.51 119.06 1hrr h ILE 15 Ca 0.04 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.05 1hrr h ILE 15 Cb 0.06 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 1hrr h ILE 15 CO -0.09 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.65 1hrr h ALA 16 N 0.87 1.83 -0.02 1.87 0.00 -0.83 -1.08 119.26 121.91 1hrr h ALA 16 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1hrr h ALA 16 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1hrr h ALA 16 CO -0.32 -0.10 -0.13 1.28 0.00 0.00 0.00 179.25 179.98 1hrr n LEU 17 N -4.58 1.63 -3.26 0.00 4.77 -0.19 -4.94 117.00 110.42 1hrr n LEU 17 Ca 0.18 -0.53 -0.23 0.00 -0.03 0.00 0.00 56.01 55.40 1hrr n LEU 17 Cb 0.50 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1hrr n LEU 17 CO 0.28 0.28 -0.01 0.29 -1.33 0.00 0.00 177.39 176.90 1hrr n LYS 18 N 0.08 -4.10 -2.31 3.23 4.76 0.15 -0.53 118.16 119.44 1hrr n LYS 18 Ca 0.15 0.64 -0.35 0.00 -2.87 0.00 0.00 58.31 55.88 1hrr n LYS 18 Cb 0.40 -5.42 -0.01 0.00 -1.84 0.00 0.00 35.03 28.16 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 -3.04 2.77 0.03 2.13 6.14 0.24 -4.44 117.35 121.18 1hrr s TYR 19 Ca 0.38 1.55 0.01 0.00 0.64 0.00 0.00 57.07 59.65 1hrr s TYR 19 Cb -0.19 -3.27 -0.02 0.00 0.42 0.00 0.00 41.96 38.90 1hrr s TYR 19 CO 0.47 -1.43 -0.05 1.21 0.64 0.00 0.00 175.55 176.38 1hrr s ASN 20 N -1.71 0.52 0.16 4.32 2.47 -0.43 -4.76 114.94 115.51 1hrr s ASN 20 Ca 0.70 -0.48 -0.14 0.00 0.42 0.00 0.00 52.86 53.36 1hrr s ASN 20 Cb -0.24 0.06 0.06 0.00 -1.45 0.00 0.00 41.25 39.68 1hrr s ASN 20 CO 0.27 -0.23 1.76 1.56 -3.72 0.00 0.00 177.10 176.75 1hrr h GLN 21 N 4.71 0.75 -4.61 0.43 4.20 -1.88 -1.68 115.11 117.04 1hrr h GLN 21 Ca -0.33 -0.10 -0.71 0.00 0.06 0.00 0.00 58.65 57.57 1hrr h GLN 21 Cb 1.21 -0.14 -0.20 0.00 0.30 0.00 0.00 27.48 28.64 1hrr h GLN 21 CO 0.42 0.60 0.02 0.16 -0.67 0.00 0.00 178.83 179.35 1hrr s ASP 22 N -5.87 6.19 0.40 1.46 -4.77 -1.26 -1.87 116.67 110.94 1hrr s ASP 22 Ca -0.13 -1.40 0.18 0.00 -3.30 0.00 0.00 52.55 47.90 1hrr s ASP 22 Cb 0.12 -2.28 1.09 0.00 -1.09 0.00 0.00 42.92 40.76 1hrr s ASP 22 CO 0.76 -1.00 1.78 0.00 0.70 0.00 0.00 175.17 177.41 1hrr h ALA 23 N 9.08 2.21 -0.90 2.11 0.00 -1.26 -2.26 119.26 128.23 1hrr h ALA 23 Ca -0.29 0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.81 1hrr h ALA 23 Cb 1.09 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 1hrr h ALA 23 CO 1.05 -0.60 -0.42 1.79 0.00 0.00 0.00 179.25 181.07 1hrr h THR 24 N 0.41 0.03 -0.46 0.00 1.35 -1.92 0.56 112.91 112.88 1hrr h THR 24 Ca 0.58 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.44 1hrr h THR 24 Cb 1.45 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1hrr h THR 24 CO -0.28 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.28 1hrr n LYS 25 N -5.43 3.91 -1.58 4.72 5.02 -0.86 -4.92 118.16 119.03 1hrr n LYS 25 Ca 0.07 -2.42 -0.30 0.00 -2.02 0.00 0.00 58.31 53.64 1hrr n LYS 25 Cb 0.37 -2.05 0.21 0.00 -0.02 0.00 0.00 35.03 33.54 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 -0.63 2.12 0.00 4.39 0.15 0.19 -4.96 113.70 114.95 1hrr s SER 26 Ca 0.42 0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.70 1hrr s SER 26 Cb 0.31 -0.48 1.26 0.00 -1.71 0.00 0.00 66.02 65.40 1hrr s SER 26 CO 0.13 -3.36 1.83 -0.62 1.20 0.00 0.00 173.24 172.42 1hrr n GLU 27 N -4.21 0.36 -0.26 5.44 1.02 -1.26 -4.37 120.64 117.37 1hrr n GLU 27 Ca 0.15 0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.41 1hrr n GLU 27 Cb 0.59 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.71 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 0.18 -0.75 3.49 0.11 -1.92 0.21 114.38 115.70 1hrr h ARG 28 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1hrr h ARG 28 Cb 0.23 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.23 1hrr h ARG 28 CO 0.00 0.12 0.47 0.28 0.10 0.00 0.00 179.97 180.95 1hrr h VAL 29 N 0.19 1.20 -0.01 0.08 2.07 -1.88 0.31 116.25 118.21 1hrr h VAL 29 Ca 0.44 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1hrr h VAL 29 Cb 0.79 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1hrr h VAL 29 CO -0.60 0.20 -0.01 0.00 0.02 0.00 0.00 177.57 177.19 1hrr h ALA 30 N 1.26 0.01 -0.57 1.67 0.00 -1.05 -3.30 119.26 117.28 1hrr h ALA 30 Ca 0.27 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1hrr h ALA 30 Cb -0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1hrr h ALA 30 CO -0.05 -0.24 0.04 0.00 0.00 0.00 0.00 179.25 179.00 1hrr h ALA 31 N 0.51 0.77 -6.90 0.00 0.00 -0.63 -3.47 119.26 109.54 1hrr h ALA 31 Ca 0.00 -0.28 -0.58 0.00 0.00 0.00 0.00 54.91 54.04 1hrr h ALA 31 Cb 0.50 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1hrr h ALA 31 CO 0.00 0.57 -0.98 0.00 0.00 0.00 0.00 179.25 178.84 1hrr n ALA 32 N -2.45 -2.32 -1.72 0.00 0.00 0.11 -4.89 120.51 109.23 1hrr n ALA 32 Ca 0.02 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 1hrr n ALA 32 Cb 0.31 -1.94 -0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 -4.76 2.23 -1.68 0.00 1.74 -1.26 -4.95 116.66 107.98 1hrr n ARG 33 Ca -0.21 0.79 -0.34 0.00 -0.77 0.00 0.00 57.85 57.31 1hrr n ARG 33 Cb 0.63 -2.44 0.06 0.00 -1.02 0.00 0.00 32.46 29.69 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 -2.02 2.57 0.00 5.56 0.04 -1.26 -4.47 135.00 135.41 1hrr s PRO 34 Ca 0.56 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1hrr s PRO 34 Cb -0.53 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1hrr s PRO 34 CO 0.62 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 176.60 1hrr n GLY 35 N 0.03 2.33 3.45 0.56 0.00 -1.26 -4.79 105.19 105.51 1hrr n GLY 35 Ca 0.12 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 0.41 0.51 0.99 2.96 -1.26 -5.05 118.68 117.25 1hrr s LEU 36 Ca 0.00 -0.61 -0.20 0.00 -0.22 0.00 0.00 54.13 53.10 1hrr s LEU 36 Cb 0.00 1.79 -0.07 0.00 0.50 0.00 0.00 46.19 48.41 1hrr s LEU 36 CO 0.00 -0.98 1.11 -2.16 -1.32 0.00 0.00 176.35 172.99 1hrr s PRO 37 N -3.90 3.55 0.24 0.98 0.04 -1.26 -4.84 135.00 129.80 1hrr s PRO 37 Ca 0.11 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 1hrr s PRO 37 Cb 0.01 -2.10 0.41 0.00 0.04 0.00 0.00 34.50 32.86 1hrr s PRO 37 CO -0.02 -0.68 1.77 -1.00 0.04 0.00 0.00 177.00 177.10 1hrr h PRO 38 N 1.45 0.57 0.00 0.56 0.13 -1.89 -1.19 132.00 131.62 1hrr h PRO 38 Ca -0.50 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1hrr h PRO 38 Cb 1.25 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1hrr h PRO 38 CO 0.58 0.37 -0.06 0.93 -0.23 0.00 0.00 178.00 179.59 1hrr h GLU 39 N 0.58 0.00 0.00 0.86 4.39 -1.92 0.17 114.58 118.66 1hrr h GLU 39 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1hrr h GLU 39 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1hrr h GLU 39 CO -0.32 0.06 -0.12 0.39 -1.16 0.00 0.00 179.01 177.86 1hrr n GLU 40 N -3.74 0.15 -2.60 2.33 1.02 -0.45 -4.83 120.64 112.51 1hrr n GLU 40 Ca -0.02 0.10 -0.43 0.00 -0.02 0.00 0.00 57.16 56.79 1hrr n GLU 40 Cb 0.16 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 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 -3.06 4.32 0.24 3.49 -0.21 0.61 -4.87 119.66 120.18 1hrr s GLN 41 Ca 0.11 1.47 -0.22 0.00 0.02 0.00 0.00 55.36 56.74 1hrr s GLN 41 Cb 0.15 -3.62 0.04 0.00 1.00 0.00 0.00 33.01 30.58 1hrr s GLN 41 CO 0.60 -0.51 0.81 -3.38 -2.12 0.00 0.00 175.29 170.69 1hrr s HIS 42 N 2.71 -0.16 0.34 0.91 -3.43 -1.26 -4.81 115.29 109.60 1hrr s HIS 42 Ca 0.49 -0.26 0.11 0.00 -0.80 0.00 0.00 55.06 54.61 1hrr s HIS 42 Cb -0.19 0.69 0.91 0.00 -1.43 0.00 0.00 32.58 32.57 1hrr s HIS 42 CO 0.14 -1.10 1.77 0.00 -2.00 0.00 0.00 174.74 173.54 1hrr n ALA 44 N -2.38 0.66 -1.89 0.00 0.00 0.18 -0.71 120.51 116.38 1hrr n ALA 44 Ca 0.25 1.02 -0.18 0.00 0.00 0.00 0.00 53.44 54.52 1hrr n ALA 44 Cb 0.72 -0.83 0.06 0.00 0.00 0.00 0.00 19.45 19.40 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 -5.35 4.40 -4.67 0.00 6.94 0.11 -5.00 115.26 111.68 1hrr n ASN 45 Ca 0.27 -3.78 -0.35 0.00 -0.02 0.00 0.00 54.58 50.71 1hrr n ASN 45 Cb 0.91 -0.42 -0.09 0.00 -2.36 0.00 0.00 39.78 37.82 1hrr n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hrr h GLN 47 N 6.68 0.16 -0.47 0.00 5.75 -0.72 -1.48 115.11 125.03 1hrr h GLN 47 Ca -0.38 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 1hrr h GLN 47 Cb 1.16 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.67 1hrr h GLN 47 CO 0.72 0.11 0.00 1.19 -2.65 0.00 0.00 178.83 178.20 1hrr n PHE 48 N -4.38 0.62 -2.87 3.99 3.72 -1.26 -4.95 117.46 112.32 1hrr n PHE 48 Ca 0.22 -0.31 -0.36 0.00 -0.05 0.00 0.00 57.45 56.95 1hrr n PHE 48 Cb 0.96 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.43 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 -1.38 4.42 -0.13 -1.08 1.75 -0.56 -0.63 119.30 121.70 1hrr s MET 49 Ca 0.40 1.16 -0.00 0.00 -1.25 0.00 0.00 55.69 55.99 1hrr s MET 49 Cb 0.22 -2.69 0.03 0.00 2.84 0.00 0.00 34.83 35.22 1hrr s MET 49 CO 0.30 0.25 -0.08 -0.65 -0.65 0.00 0.00 175.02 174.18 1hrr s GLN 50 N -2.27 1.63 -0.01 4.11 -0.21 0.43 -4.90 119.66 118.43 1hrr s GLN 50 Ca 0.51 -0.34 0.14 0.00 0.02 0.00 0.00 55.36 55.68 1hrr s GLN 50 Cb -0.16 -1.73 -0.20 0.00 1.00 0.00 0.00 33.01 31.91 1hrr s GLN 50 CO 0.21 -0.29 0.70 0.00 -2.12 0.00 0.00 175.29 173.79 1hrr n ALA 51 N 4.91 1.63 0.28 6.09 0.00 -1.26 -0.55 120.51 131.60 1hrr n ALA 51 Ca -0.13 -0.71 0.15 0.00 0.00 0.00 0.00 53.44 52.76 1hrr n ALA 51 Cb 0.50 -0.87 0.75 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.45 0.00 2.03 -1.97 -3.45 116.42 111.58 1hrr h ASP 52 Ca -0.25 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.41 1hrr h ASP 52 Cb 1.89 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.38 1hrr h ASP 52 CO 0.07 0.00 1.43 0.00 -1.03 0.00 0.00 179.24 179.71 1hrr n ALA 53 N -1.91 1.33 -1.67 4.15 0.00 -1.25 -4.86 120.51 116.31 1hrr n ALA 53 Ca -0.01 -0.11 -0.52 0.00 0.00 0.00 0.00 53.44 52.80 1hrr n ALA 53 Cb 0.13 -2.68 -0.06 0.00 0.00 0.00 0.00 19.45 16.84 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 10.39 0.20 0.00 0.00 0.00 -1.26 -0.66 120.51 129.18 1hrr n ALA 54 Ca 0.36 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1hrr n ALA 54 Cb 0.31 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 2.97 3.61 0.00 0.00 -1.26 -5.05 105.19 109.20 1hrr n GLY 55 Ca 0.22 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.22 -0.09 -2.40 4.61 0.00 0.16 -4.96 120.51 116.61 1hrr n ALA 56 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1hrr n ALA 56 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 1.53 0.00 0.00 0.00 -2.24 0.23 -4.96 114.28 108.84 1hrr n THR 57 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1hrr n THR 57 Cb 0.27 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.09 3.42 5.68 -1.26 -4.45 116.55 120.03 1hrr n ASP 58 Ca 0.00 0.53 0.12 0.00 -0.50 0.00 0.00 54.79 54.94 1hrr n ASP 58 Cb 0.00 -0.32 0.07 0.00 -1.14 0.00 0.00 41.12 39.73 1hrr n ASP 58 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1hrr h GLU 59 N 0.00 0.00 -5.61 0.11 5.08 -1.96 -3.47 114.58 108.73 1hrr h GLU 59 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 1hrr h GLU 59 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1hrr h GLU 59 CO 0.00 0.00 -0.57 -1.58 -1.00 0.00 0.00 179.01 175.86 1hrr s TRP 60 N -3.27 3.28 0.14 4.33 0.52 -1.26 -0.87 118.94 121.81 1hrr s TRP 60 Ca 0.03 0.20 -0.01 0.00 0.02 0.00 0.00 56.10 56.33 1hrr s TRP 60 Cb 0.11 -1.94 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1hrr s TRP 60 CO 0.76 0.39 0.07 0.15 0.02 0.00 0.00 176.95 178.34 1hrr s LYS 61 N -0.39 0.96 0.52 4.98 3.01 0.17 -0.60 119.74 128.38 1hrr s LYS 61 Ca 0.09 -1.44 -0.11 0.00 -1.01 0.00 0.00 55.97 53.50 1hrr s LYS 61 Cb -0.12 0.25 -0.05 0.00 -1.01 0.00 0.00 37.83 36.90 1hrr s LYS 61 CO 0.02 -0.28 0.91 0.20 0.51 0.00 0.00 175.35 176.71 1hrr s GLY 62 N -3.05 1.78 -0.07 -3.33 0.00 0.28 0.08 107.32 103.02 1hrr s GLY 62 Ca 0.25 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.85 1hrr s GLY 62 CO 0.03 0.09 -0.11 0.00 0.00 0.00 0.00 173.10 173.11 1hrr h GLN 64 N 7.08 0.68 -0.18 0.00 4.20 -1.22 0.13 115.11 125.80 1hrr h GLN 64 Ca -0.32 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1hrr h GLN 64 Cb 1.18 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1hrr h GLN 64 CO 0.47 0.45 0.00 1.28 -0.67 0.00 0.00 178.83 180.36 1hrr n LEU 65 N -4.82 0.30 -3.15 1.46 4.77 -1.26 -4.30 117.00 110.00 1hrr n LEU 65 Ca 0.18 -0.15 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 1hrr n LEU 65 Cb 0.43 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1hrr n LEU 65 CO 0.22 0.07 -0.21 0.33 -1.33 0.00 0.00 177.39 176.47 1hrr n PHE 66 N -0.36 -0.36 -2.26 -1.77 -0.00 0.44 -5.13 117.46 108.03 1hrr n PHE 66 Ca 0.01 -3.54 -0.37 0.00 -0.00 0.00 0.00 57.45 53.55 1hrr n PHE 66 Cb 0.06 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.48 39.33 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 3.75 0.00 -7.13 0.04 -1.26 -3.60 135.00 125.17 1hrr s PRO 67 Ca 0.37 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1hrr s PRO 67 Cb 0.27 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1hrr s PRO 67 CO -0.10 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.80 1hrr n GLY 68 N 0.43 1.30 3.83 0.56 0.00 -1.26 -4.92 105.19 105.12 1hrr n GLY 68 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 2.11 -0.08 1.61 1.02 -1.24 -4.89 119.74 118.28 1hrr s LYS 69 Ca 0.00 0.50 0.03 0.00 0.02 0.00 0.00 55.97 56.52 1hrr s LYS 69 Cb 0.00 -1.93 0.01 0.00 -0.52 0.00 0.00 37.83 35.38 1hrr s LYS 69 CO 0.00 -1.57 -0.17 -0.51 -0.92 0.00 0.00 175.35 172.18 1hrr s LEU 70 N -5.70 1.84 0.81 3.17 1.43 0.14 -4.60 118.68 115.77 1hrr s LEU 70 Ca 0.61 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 1hrr s LEU 70 Cb -0.13 -1.09 0.08 0.00 0.03 0.00 0.00 46.19 45.07 1hrr s LEU 70 CO 0.53 0.09 1.16 0.27 0.23 0.00 0.00 176.35 178.63 1hrr s ILE 71 N 0.55 2.24 -0.16 -0.59 -5.25 0.11 -0.40 121.20 117.70 1hrr s ILE 71 Ca -0.16 0.08 -0.10 0.00 -0.99 0.00 0.00 60.65 59.48 1hrr s ILE 71 Cb -0.17 -3.04 -0.05 0.00 2.95 0.00 0.00 42.46 42.16 1hrr s ILE 71 CO 0.06 -0.10 0.16 0.21 -1.79 0.00 0.00 174.94 173.48 1hrr s ASN 72 N -4.47 6.32 0.42 4.36 3.84 -1.26 -0.66 114.94 123.49 1hrr s ASN 72 Ca 0.62 0.37 0.19 0.00 0.21 0.00 0.00 52.86 54.25 1hrr s ASN 72 Cb -0.12 -2.10 1.13 0.00 -0.55 0.00 0.00 41.25 39.61 1hrr s ASN 72 CO 0.50 0.25 1.80 -0.37 -2.79 0.00 0.00 177.10 176.49 1hrr h VAL 73 N 4.42 0.57 0.00 -5.21 -1.51 -1.36 0.13 116.25 113.29 1hrr h VAL 73 Ca -0.46 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1hrr h VAL 73 Cb 1.18 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 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 -4.55 0.00 -4.33 4.19 3.02 -1.26 -0.64 115.26 111.68 1hrr n ASN 74 Ca 0.23 -0.38 -0.25 0.00 -0.03 0.00 0.00 54.58 54.15 1hrr n ASN 74 Cb 0.84 -0.16 0.15 0.00 -0.61 0.00 0.00 39.78 40.00 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 0.71 -0.05 3.28 7.41 0.00 0.46 -1.12 105.19 115.88 1hrr n GLY 75 Ca 0.15 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.35 -0.19 0.15 1.61 -0.00 -0.63 -0.19 118.94 116.34 1hrr s TRP 76 Ca 0.69 0.17 -0.00 0.00 -0.00 0.00 0.00 56.10 56.96 1hrr s TRP 76 Cb -0.03 0.14 -0.04 0.00 -0.00 0.00 0.00 33.47 33.54 1hrr s TRP 76 CO 0.47 -0.50 0.04 0.00 -0.00 0.00 0.00 176.95 176.96 1hrr h ALA 78 N 2.80 1.96 0.00 0.00 0.00 -1.02 0.29 119.26 123.28 1hrr h ALA 78 Ca -0.36 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1hrr h ALA 78 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1hrr h ALA 78 CO 0.60 -0.25 0.00 0.77 0.00 0.00 0.00 179.25 180.37 1hrr h SER 79 N 0.59 0.00 -0.79 0.00 0.02 -1.98 -3.46 113.55 107.93 1hrr h SER 79 Ca 0.49 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.74 1hrr h SER 79 Cb 0.95 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.50 1hrr h SER 79 CO -0.23 0.00 0.53 1.87 -1.14 0.00 0.00 176.83 177.86 1hrr n TRP 80 N -2.94 1.36 -4.06 3.45 -0.00 0.09 -4.96 117.44 110.38 1hrr n TRP 80 Ca -0.02 0.91 -0.19 0.00 -0.00 0.00 0.00 57.50 58.20 1hrr n TRP 80 Cb 0.13 -1.76 -0.16 0.00 -0.00 0.00 0.00 31.31 29.52 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 2.29 0.40 -0.20 5.87 2.01 -1.26 -5.02 115.64 119.73 1hrr s THR 81 Ca 0.83 -0.03 -0.33 0.00 0.31 0.00 0.00 61.69 62.46 1hrr s THR 81 Cb -1.18 -0.46 -0.10 0.00 0.01 0.00 0.00 72.50 70.77 1hrr s THR 81 CO 0.64 0.20 2.06 -0.11 -0.69 0.00 0.00 174.62 176.72 1hrr n LEU 82 N 4.14 3.03 -4.73 4.42 0.00 -1.26 -0.08 117.00 122.53 1hrr n LEU 82 Ca -0.24 0.61 -0.42 0.00 0.00 0.00 0.00 56.01 55.96 1hrr n LEU 82 Cb 0.51 -1.39 -0.03 0.00 0.00 0.00 0.00 43.42 42.51 1hrr n LEU 82 CO 0.22 -0.41 1.30 -0.75 0.00 0.00 0.00 177.39 177.75 1hrr s LYS 83 N 5.31 4.14 -1.12 1.96 2.20 0.03 -4.51 119.74 127.76 1hrr s LYS 83 Ca 1.00 2.55 -0.07 0.00 -0.36 0.00 0.00 55.97 59.08 1hrr s LYS 83 Cb -0.64 -3.08 -0.09 0.00 -1.51 0.00 0.00 37.83 32.52 1hrr s LYS 83 CO 0.47 -0.68 2.58 0.00 -0.36 0.00 0.00 175.35 177.35 1hrr n ALA 84 N 3.43 6.01 0.00 3.13 0.00 -1.26 -4.90 120.51 126.92 1hrr n ALA 84 Ca 0.13 -2.59 0.00 0.00 0.00 0.00 0.00 53.44 50.98 1hrr n ALA 84 Cb 0.37 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.73 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91