#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 -1.16 0.72 7.33 0.00 -1.26 -4.84 121.76 122.55 1hrr s ALA 2 Ca 0.00 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 1hrr s ALA 2 Cb 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.52 1hrr s ALA 2 CO 0.00 -1.16 1.07 -1.25 0.00 0.00 0.00 175.76 174.42 1hrr s PRO 3 N 2.57 2.75 0.15 0.00 0.04 -1.26 -4.97 135.00 134.28 1hrr s PRO 3 Ca 0.10 1.01 -0.16 0.00 0.04 0.00 0.00 61.00 61.99 1hrr s PRO 3 Cb -0.15 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1hrr s PRO 3 CO -0.15 -1.25 1.78 0.00 0.04 0.00 0.00 177.00 177.42 1hrr h ALA 4 N -0.83 0.50 -0.33 8.56 0.00 -2.01 -2.49 119.26 122.66 1hrr h ALA 4 Ca -0.44 -0.05 -0.58 0.00 0.00 0.00 0.00 54.91 53.84 1hrr h ALA 4 Cb 1.22 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 1hrr h ALA 4 CO 0.55 -0.01 1.92 0.27 0.00 0.00 0.00 179.25 181.98 1hrr n ASN 5 N -4.78 7.45 -4.78 0.00 6.94 -1.26 -4.89 115.26 113.94 1hrr n ASN 5 Ca 0.00 -2.89 -0.39 0.00 -0.02 0.00 0.00 54.58 51.28 1hrr n ASN 5 Cb 0.05 -1.40 -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 0.00 3.47 -0.31 -2.53 0.00 -0.94 0.18 121.76 121.62 1hrr s ALA 6 Ca 0.62 0.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.54 1hrr s ALA 6 Cb 0.25 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 1hrr s ALA 6 CO -0.10 0.26 1.63 0.08 0.00 0.00 0.00 175.76 177.63 1hrr s VAL 7 N -0.83 3.67 0.39 0.00 1.01 0.71 -4.74 120.40 120.61 1hrr s VAL 7 Ca 0.34 0.71 -0.24 0.00 0.00 0.00 0.00 61.98 62.80 1hrr s VAL 7 Cb -0.21 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 1hrr s VAL 7 CO 0.23 -0.46 1.00 0.00 0.00 0.00 0.00 175.10 175.87 1hrr s ALA 8 N 5.91 3.09 0.29 5.51 0.00 -1.26 -4.80 121.76 130.50 1hrr s ALA 8 Ca 0.72 0.59 0.04 0.00 0.00 0.00 0.00 51.96 53.31 1hrr s ALA 8 Cb -0.21 -3.22 0.74 0.00 0.00 0.00 0.00 23.12 20.43 1hrr s ALA 8 CO 0.32 -0.06 1.69 0.00 0.00 0.00 0.00 175.76 177.71 1hrr h ALA 9 N 2.48 1.44 -0.44 0.00 0.00 -1.94 -0.36 119.26 120.43 1hrr h ALA 9 Ca -0.48 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1hrr h ALA 9 Cb 1.20 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1hrr h ALA 9 CO 0.62 -0.38 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 1hrr n ASP 10 N -5.08 3.13 -4.64 0.00 5.75 -1.26 -4.44 116.55 110.01 1hrr n ASP 10 Ca 0.22 -2.23 -0.38 0.00 -0.01 0.00 0.00 54.79 52.40 1hrr n ASP 10 Cb 0.68 -0.43 0.05 0.00 -1.03 0.00 0.00 41.12 40.38 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 0.71 1.21 -0.16 -1.12 2.03 -0.15 -4.79 116.55 114.28 1hrr n ASP 11 Ca 0.17 0.86 -0.09 0.00 0.52 0.00 0.00 54.79 56.25 1hrr n ASP 11 Cb 0.58 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 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 0.74 0.62 -0.77 -1.67 0.00 -1.92 0.20 119.26 116.46 1hrr h ALA 12 Ca -0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1hrr h ALA 12 Cb 1.35 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1hrr h ALA 12 CO 0.53 0.26 0.41 1.15 0.00 0.00 0.00 179.25 181.60 1hrr h THR 13 N 0.63 1.23 -0.78 0.00 2.02 -1.95 -0.77 112.91 113.28 1hrr h THR 13 Ca 0.15 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1hrr h THR 13 Cb 0.25 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1hrr h THR 13 CO -0.01 0.26 0.42 0.00 0.37 0.00 0.00 175.52 176.56 1hrr h ALA 14 N 1.21 1.00 -0.58 6.16 0.00 -1.62 0.49 119.26 125.93 1hrr h ALA 14 Ca 0.27 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1hrr h ALA 14 Cb 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1hrr h ALA 14 CO -0.04 0.53 0.22 0.82 0.00 0.00 0.00 179.25 180.78 1hrr h ILE 15 N 1.09 1.23 0.33 0.00 2.04 -0.16 0.75 117.51 122.79 1hrr h ILE 15 Ca 0.27 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1hrr h ILE 15 Cb 0.05 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1hrr h ILE 15 CO -0.04 0.28 -0.27 0.00 0.00 0.00 0.00 178.15 178.12 1hrr h ALA 16 N 1.07 -0.61 0.00 1.87 0.00 -0.81 -3.19 119.26 117.60 1hrr h ALA 16 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hrr h ALA 16 Cb 0.22 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1hrr h ALA 16 CO -0.01 -0.87 0.00 1.28 0.00 0.00 0.00 179.25 179.65 1hrr n LEU 17 N -5.40 0.00 -3.22 0.00 4.77 0.13 -4.88 117.00 108.40 1hrr n LEU 17 Ca -0.10 0.44 -0.23 0.00 -0.03 0.00 0.00 56.01 56.09 1hrr n LEU 17 Cb 0.30 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1hrr n LEU 17 CO 0.31 -0.07 0.07 0.29 -1.33 0.00 0.00 177.39 176.66 1hrr n LYS 18 N -1.44 -5.71 -2.43 3.23 4.76 0.24 -0.43 118.16 116.38 1hrr n LYS 18 Ca 0.08 0.86 -0.34 0.00 -2.87 0.00 0.00 58.31 56.04 1hrr n LYS 18 Cb 0.27 -5.78 -0.02 0.00 -1.84 0.00 0.00 35.03 27.66 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 -3.21 2.91 0.03 2.13 6.14 -0.03 -4.42 117.35 120.89 1hrr s TYR 19 Ca 0.40 1.56 0.01 0.00 0.64 0.00 0.00 57.07 59.69 1hrr s TYR 19 Cb -0.18 -3.12 -0.02 0.00 0.42 0.00 0.00 41.96 39.06 1hrr s TYR 19 CO 0.49 -1.05 -0.06 1.21 0.64 0.00 0.00 175.55 176.78 1hrr s ASN 20 N -1.98 0.63 0.21 4.32 2.47 -0.92 -4.81 114.94 114.87 1hrr s ASN 20 Ca 0.68 -0.48 -0.10 0.00 0.42 0.00 0.00 52.86 53.38 1hrr s ASN 20 Cb -0.18 0.04 0.17 0.00 -1.45 0.00 0.00 41.25 39.83 1hrr s ASN 20 CO 0.23 -0.20 1.87 1.56 -3.72 0.00 0.00 177.10 176.84 1hrr h GLN 21 N 4.72 0.97 -4.70 0.43 4.20 -1.87 -2.62 115.11 116.23 1hrr h GLN 21 Ca -0.34 -0.06 -0.70 0.00 0.06 0.00 0.00 58.65 57.61 1hrr h GLN 21 Cb 1.20 -0.22 -0.20 0.00 0.30 0.00 0.00 27.48 28.57 1hrr h GLN 21 CO 0.42 0.64 -0.32 0.16 -0.67 0.00 0.00 178.83 179.06 1hrr s ASP 22 N -5.86 6.15 0.36 1.46 -4.77 -1.26 -1.97 116.67 110.79 1hrr s ASP 22 Ca -0.13 -0.75 0.12 0.00 -3.30 0.00 0.00 52.55 48.49 1hrr s ASP 22 Cb 0.15 -2.19 0.92 0.00 -1.09 0.00 0.00 42.92 40.71 1hrr s ASP 22 CO 0.78 -0.51 1.81 0.00 0.70 0.00 0.00 175.17 177.95 1hrr h ALA 23 N 8.67 1.95 -0.69 2.11 0.00 -0.99 -2.87 119.26 127.44 1hrr h ALA 23 Ca -0.27 0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1hrr h ALA 23 Cb 1.12 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 1hrr h ALA 23 CO 0.76 -0.30 -0.48 1.79 0.00 0.00 0.00 179.25 181.02 1hrr h THR 24 N 0.58 0.04 -0.31 0.00 1.35 -1.93 0.46 112.91 113.11 1hrr h THR 24 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.40 1hrr h THR 24 Cb 1.08 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1hrr h THR 24 CO -0.29 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.27 1hrr n LYS 25 N -5.38 2.61 -1.52 4.72 5.02 -1.09 -4.89 118.16 117.63 1hrr n LYS 25 Ca 0.02 -1.48 -0.30 0.00 -2.02 0.00 0.00 58.31 54.53 1hrr n LYS 25 Cb 0.34 -1.71 0.22 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.56 1.85 0.00 4.39 0.15 0.15 -4.95 113.70 114.73 1hrr s SER 26 Ca 0.26 0.36 0.19 0.00 0.70 0.00 0.00 55.95 57.47 1hrr s SER 26 Cb 0.18 -0.44 0.87 0.00 -1.71 0.00 0.00 66.02 64.93 1hrr s SER 26 CO 0.10 -3.52 1.62 -0.62 1.20 0.00 0.00 173.24 172.02 1hrr n GLU 27 N -4.31 0.08 -0.26 5.44 1.02 -1.26 -4.42 120.64 116.92 1hrr n GLU 27 Ca 0.15 0.15 0.07 0.00 -0.02 0.00 0.00 57.16 57.52 1hrr n GLU 27 Cb 0.59 -1.50 0.20 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 -0.73 3.49 0.11 -1.91 0.33 114.38 115.85 1hrr h ARG 28 Ca 0.00 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 60.08 1hrr h ARG 28 Cb 0.29 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.29 1hrr h ARG 28 CO 0.00 0.12 0.48 0.28 0.10 0.00 0.00 179.97 180.95 1hrr h VAL 29 N 0.19 1.18 -0.09 0.08 2.07 -1.88 0.28 116.25 118.08 1hrr h VAL 29 Ca 0.45 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 1hrr h VAL 29 Cb 0.82 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1hrr h VAL 29 CO -0.61 0.18 -0.07 0.00 0.02 0.00 0.00 177.57 177.09 1hrr h ALA 30 N 1.27 0.13 -0.57 1.67 0.00 -0.79 -3.27 119.26 117.71 1hrr h ALA 30 Ca 0.27 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1hrr h ALA 30 Cb -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1hrr h ALA 30 CO -0.06 -0.06 0.07 0.00 0.00 0.00 0.00 179.25 179.19 1hrr h ALA 31 N 0.59 0.76 -6.93 0.00 0.00 -0.69 -3.47 119.26 109.53 1hrr h ALA 31 Ca 0.02 -0.27 -0.59 0.00 0.00 0.00 0.00 54.91 54.07 1hrr h ALA 31 Cb 0.57 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1hrr h ALA 31 CO 0.02 0.53 -0.99 0.00 0.00 0.00 0.00 179.25 178.81 1hrr n ALA 32 N -2.44 -2.38 -1.71 0.00 0.00 0.98 -4.89 120.51 110.06 1hrr n ALA 32 Ca 0.02 -0.50 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 1hrr n ALA 32 Cb 0.29 -2.05 0.01 0.00 0.00 0.00 0.00 19.45 17.69 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 -4.84 2.08 -2.07 0.00 1.74 -1.26 -4.94 116.66 107.36 1hrr n ARG 33 Ca -0.19 0.74 -0.36 0.00 -0.77 0.00 0.00 57.85 57.27 1hrr n ARG 33 Cb 0.61 -2.42 0.02 0.00 -1.02 0.00 0.00 32.46 29.66 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 -2.14 3.08 0.00 5.56 0.04 -1.26 -4.45 135.00 135.82 1hrr s PRO 34 Ca 0.59 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1hrr s PRO 34 Cb -0.51 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1hrr s PRO 34 CO 0.60 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1hrr n GLY 35 N 0.36 2.29 3.41 0.56 0.00 -1.26 -4.75 105.19 105.80 1hrr n GLY 35 Ca 0.13 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 0.62 0.44 0.99 2.96 -1.26 -5.04 118.68 117.38 1hrr s LEU 36 Ca 0.00 -0.70 -0.23 0.00 -0.22 0.00 0.00 54.13 52.98 1hrr s LEU 36 Cb 0.00 1.58 -0.08 0.00 0.50 0.00 0.00 46.19 48.19 1hrr s LEU 36 CO 0.00 -0.95 1.14 -2.16 -1.32 0.00 0.00 176.35 173.06 1hrr s PRO 37 N -3.92 3.88 0.25 0.98 0.04 -1.26 -4.79 135.00 130.18 1hrr s PRO 37 Ca 0.13 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 1hrr s PRO 37 Cb 0.02 -2.46 0.49 0.00 0.04 0.00 0.00 34.50 32.58 1hrr s PRO 37 CO -0.02 -0.43 1.76 -1.00 0.04 0.00 0.00 177.00 177.35 1hrr h PRO 38 N 2.20 0.59 0.00 0.56 0.13 -1.89 -0.85 132.00 132.74 1hrr h PRO 38 Ca -0.49 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1hrr h PRO 38 Cb 1.24 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1hrr h PRO 38 CO 0.61 0.39 -0.05 0.93 -0.23 0.00 0.00 178.00 179.65 1hrr h GLU 39 N 0.61 0.00 -0.02 0.86 4.39 -1.92 0.19 114.58 118.70 1hrr h GLU 39 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1hrr h GLU 39 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1hrr h GLU 39 CO -0.35 0.05 -0.09 0.39 -1.16 0.00 0.00 179.01 177.86 1hrr n GLU 40 N -3.47 1.67 -2.50 2.33 -0.58 -0.34 -4.84 120.64 112.91 1hrr n GLU 40 Ca -0.02 -1.16 -0.43 0.00 -0.42 0.00 0.00 57.16 55.13 1hrr n GLU 40 Cb 0.17 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 1hrr n GLU 40 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1hrr s GLN 41 N -2.13 4.26 0.21 3.49 -0.21 0.68 -4.86 119.66 121.10 1hrr s GLN 41 Ca 0.31 1.57 -0.21 0.00 0.02 0.00 0.00 55.36 57.05 1hrr s GLN 41 Cb 0.20 -3.70 0.04 0.00 1.00 0.00 0.00 33.01 30.55 1hrr s GLN 41 CO 0.38 -0.65 0.61 -3.38 -2.12 0.00 0.00 175.29 170.13 1hrr s HIS 42 N 3.25 -0.30 0.39 0.91 -3.43 -1.26 -4.83 115.29 110.02 1hrr s HIS 42 Ca 0.52 -0.02 0.16 0.00 -0.80 0.00 0.00 55.06 54.92 1hrr s HIS 42 Cb -0.20 0.56 1.04 0.00 -1.43 0.00 0.00 32.58 32.55 1hrr s HIS 42 CO 0.13 -0.99 1.81 0.00 -2.00 0.00 0.00 174.74 173.69 1hrr h ALA 44 N 1.61 2.25 -0.10 0.00 0.00 -0.84 0.82 119.26 122.99 1hrr h ALA 44 Ca 0.54 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.53 1hrr h ALA 44 Cb 1.27 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1hrr h ALA 44 CO -0.25 -0.84 -0.46 0.27 0.00 0.00 0.00 179.25 177.97 1hrr n ASN 45 N -4.87 2.05 -4.80 0.00 6.94 -0.18 -5.02 115.26 109.39 1hrr n ASN 45 Ca 0.32 -3.88 -0.37 0.00 -0.02 0.00 0.00 54.58 50.63 1hrr n ASN 45 Cb 1.11 -0.53 -0.06 0.00 -2.36 0.00 0.00 39.78 37.93 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 5.53 0.00 -0.22 0.00 5.75 -0.57 -1.87 115.11 123.73 1hrr h GLN 47 Ca -0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1hrr h GLN 47 Cb 1.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1hrr h GLN 47 CO 0.67 0.00 0.00 1.19 -2.65 0.00 0.00 178.83 178.04 1hrr n PHE 48 N -4.15 0.27 -2.34 3.99 3.72 -1.26 -4.93 117.46 112.76 1hrr n PHE 48 Ca 0.07 -0.14 -0.42 0.00 -0.05 0.00 0.00 57.45 56.91 1hrr n PHE 48 Cb 0.51 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 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 -1.70 4.44 -0.23 -1.08 1.75 -0.70 -0.45 119.30 121.32 1hrr s MET 49 Ca 0.33 1.90 0.02 0.00 -1.25 0.00 0.00 55.69 56.69 1hrr s MET 49 Cb 0.21 -3.26 0.05 0.00 2.84 0.00 0.00 34.83 34.67 1hrr s MET 49 CO 0.30 -0.20 -0.12 -0.65 -0.65 0.00 0.00 175.02 173.71 1hrr s GLN 50 N 0.31 2.23 0.33 4.11 -0.21 0.28 -4.92 119.66 121.78 1hrr s GLN 50 Ca 0.57 -1.11 0.24 0.00 0.02 0.00 0.00 55.36 55.08 1hrr s GLN 50 Cb -0.33 -2.69 0.48 0.00 1.00 0.00 0.00 33.01 31.47 1hrr s GLN 50 CO 0.34 -0.48 1.62 0.00 -2.12 0.00 0.00 175.29 174.64 1hrr h ALA 51 N 7.87 0.95 0.00 6.09 0.00 -1.96 0.16 119.26 132.37 1hrr h ALA 51 Ca -0.25 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1hrr h ALA 51 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1hrr h ALA 51 CO 0.49 0.00 -0.01 -0.44 0.00 0.00 0.00 179.25 179.28 1hrr h ASP 52 N 0.00 0.00 -1.50 0.00 5.19 -1.95 -3.43 116.42 114.73 1hrr h ASP 52 Ca 0.00 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 55.99 1hrr h ASP 52 Cb 0.90 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.37 1hrr h ASP 52 CO 0.00 0.01 1.12 0.00 -3.12 0.00 0.00 179.24 177.25 1hrr s ALA 53 N -4.30 1.98 -0.21 3.45 0.00 -1.25 -4.92 121.76 116.51 1hrr s ALA 53 Ca -0.04 -0.98 -0.39 0.00 0.00 0.00 0.00 51.96 50.54 1hrr s ALA 53 Cb 0.14 -4.40 -0.16 0.00 0.00 0.00 0.00 23.12 18.70 1hrr s ALA 53 CO 0.48 -4.25 1.68 0.00 0.00 0.00 0.00 175.76 173.68 1hrr n ALA 54 N 13.20 -0.27 0.00 0.00 0.00 -1.26 -0.54 120.51 131.64 1hrr n ALA 54 Ca 0.28 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1hrr n ALA 54 Cb 0.50 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 3.93 1.22 3.50 0.00 0.00 -1.26 -5.10 105.19 107.48 1hrr n GLY 55 Ca 0.25 -0.33 -0.50 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 -1.95 -3.00 4.61 0.00 0.30 -5.00 120.51 115.48 1hrr n ALA 56 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1hrr n ALA 56 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 0.80 0.00 0.00 0.00 -2.24 0.69 -4.98 114.28 108.55 1hrr n THR 57 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1hrr n THR 57 Cb 0.23 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.00 -0.10 3.42 9.92 -1.26 -3.91 116.55 124.63 1hrr n ASP 58 Ca 0.00 0.67 0.13 0.00 -0.53 0.00 0.00 54.79 55.06 1hrr n ASP 58 Cb 0.00 -0.46 0.39 0.00 -0.64 0.00 0.00 41.12 40.41 1hrr n ASP 58 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1hrr n GLU 59 N -1.89 0.39 -4.51 -1.24 4.71 -1.26 -4.91 120.64 111.92 1hrr n GLU 59 Ca 0.00 -0.20 -0.33 0.00 -0.01 0.00 0.00 57.16 56.62 1hrr n GLU 59 Cb 0.00 -1.50 -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 -2.75 2.84 0.32 -0.32 0.52 -1.25 -0.62 118.94 117.68 1hrr s TRP 60 Ca 0.19 -0.82 0.03 0.00 0.02 0.00 0.00 56.10 55.52 1hrr s TRP 60 Cb 0.19 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1hrr s TRP 60 CO 0.59 -0.35 0.12 0.15 0.02 0.00 0.00 176.95 177.47 1hrr s LYS 61 N 0.71 1.64 0.61 4.98 3.01 0.27 -0.22 119.74 130.74 1hrr s LYS 61 Ca -0.06 -1.94 -0.07 0.00 -1.01 0.00 0.00 55.97 52.90 1hrr s LYS 61 Cb -0.15 -0.39 0.01 0.00 -1.01 0.00 0.00 37.83 36.28 1hrr s LYS 61 CO 0.02 -0.37 0.94 0.20 0.51 0.00 0.00 175.35 176.65 1hrr s GLY 62 N -3.43 1.61 -0.01 -3.33 0.00 0.55 -0.09 107.32 102.62 1hrr s GLY 62 Ca 0.34 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.46 1hrr s GLY 62 CO 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 173.10 172.89 1hrr n GLN 64 N 3.17 2.20 -2.26 0.00 0.00 0.40 -0.39 117.38 120.51 1hrr n GLN 64 Ca -0.16 0.80 -0.16 0.00 -0.00 0.00 0.00 57.00 57.48 1hrr n GLN 64 Cb 0.56 -2.62 -0.01 0.00 0.00 0.00 0.00 30.24 28.17 1hrr n GLN 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1hrr n LEU 65 N 5.27 -1.71 -3.21 1.69 -0.00 -1.26 -4.95 117.00 112.83 1hrr n LEU 65 Ca 0.20 0.01 -0.27 0.00 -0.00 0.00 0.00 56.01 55.96 1hrr n LEU 65 Cb 0.30 -2.41 -0.06 0.00 -0.00 0.00 0.00 43.42 41.24 1hrr n LEU 65 CO 0.69 -0.22 0.09 0.33 -0.00 0.00 0.00 177.39 178.28 1hrr n PHE 66 N -3.92 3.59 -2.53 1.96 -0.00 0.48 -5.11 117.46 111.93 1hrr n PHE 66 Ca -0.19 -4.06 -0.35 0.00 -0.00 0.00 0.00 57.45 52.84 1hrr n PHE 66 Cb 0.64 -0.52 -0.03 0.00 -0.00 0.00 0.00 39.48 39.57 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 -2.84 3.90 0.00 -7.13 0.04 -1.26 -3.83 135.00 123.87 1hrr s PRO 67 Ca 0.43 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1hrr s PRO 67 Cb 0.21 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1hrr s PRO 67 CO -0.07 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1hrr n GLY 68 N -0.03 1.12 3.89 0.56 0.00 -1.26 -4.92 105.19 104.56 1hrr n GLY 68 Ca 0.08 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 2.79 -0.11 1.61 1.02 -1.25 -4.87 119.74 118.92 1hrr s LYS 69 Ca 0.00 0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.41 1hrr s LYS 69 Cb 0.00 -2.03 0.01 0.00 -0.52 0.00 0.00 37.83 35.29 1hrr s LYS 69 CO 0.00 -1.06 -0.18 -0.51 -0.92 0.00 0.00 175.35 172.68 1hrr s LEU 70 N -5.35 1.85 0.71 3.17 1.43 0.13 -4.72 118.68 115.90 1hrr s LEU 70 Ca 0.58 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1hrr s LEU 70 Cb -0.11 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.94 1hrr s LEU 70 CO 0.51 0.05 1.08 0.27 0.23 0.00 0.00 176.35 178.49 1hrr s ILE 71 N 0.81 3.71 -0.09 -0.59 -4.36 0.88 -0.21 121.20 121.35 1hrr s ILE 71 Ca -0.10 0.55 -0.16 0.00 -0.26 0.00 0.00 60.65 60.69 1hrr s ILE 71 Cb -0.16 -3.45 -0.05 0.00 1.25 0.00 0.00 42.46 40.06 1hrr s ILE 71 CO 0.01 -0.72 0.42 0.21 0.24 0.00 0.00 174.94 175.09 1hrr s ASN 72 N -4.12 6.68 0.41 4.36 3.84 -1.26 -0.57 114.94 124.28 1hrr s ASN 72 Ca 0.58 0.80 0.17 0.00 0.21 0.00 0.00 52.86 54.63 1hrr s ASN 72 Cb -0.12 -2.26 1.07 0.00 -0.55 0.00 0.00 41.25 39.39 1hrr s ASN 72 CO 0.53 0.12 1.84 -0.37 -2.79 0.00 0.00 177.10 176.44 1hrr h VAL 73 N 4.39 0.66 0.00 -5.21 -1.51 -1.21 0.12 116.25 113.50 1hrr h VAL 73 Ca -0.44 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1hrr h VAL 73 Cb 1.19 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1hrr h VAL 73 CO 0.71 0.08 0.00 0.59 -1.23 0.00 0.00 177.57 177.72 1hrr n ASN 74 N -4.53 0.00 -2.36 4.19 3.02 -1.26 -0.20 115.26 114.12 1hrr n ASN 74 Ca 0.20 -0.76 -0.05 0.00 -0.03 0.00 0.00 54.58 53.94 1hrr n ASN 74 Cb 0.71 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.88 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 0.73 -0.57 3.37 7.41 0.00 0.41 -0.58 105.19 115.97 1hrr n GLY 75 Ca 0.20 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.11 -0.36 0.17 1.61 -0.00 -0.99 -0.16 118.94 118.11 1hrr s TRP 76 Ca 0.12 0.19 -0.05 0.00 -0.00 0.00 0.00 56.10 56.37 1hrr s TRP 76 Cb -0.00 0.36 -0.03 0.00 -0.00 0.00 0.00 33.47 33.80 1hrr s TRP 76 CO 0.08 -0.71 0.19 0.00 -0.00 0.00 0.00 176.95 176.51 1hrr h ALA 78 N 2.63 2.24 0.00 0.00 0.00 -0.95 0.37 119.26 123.56 1hrr h ALA 78 Ca -0.33 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1hrr h ALA 78 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1hrr h ALA 78 CO 0.52 -0.50 0.00 0.43 0.00 0.00 0.00 179.25 179.70 1hrr n SER 79 N -4.48 0.00 -4.60 0.00 7.64 -1.26 -4.91 113.62 106.01 1hrr n SER 79 Ca 0.17 0.02 -0.58 0.00 1.01 0.00 0.00 58.87 59.50 1hrr n SER 79 Cb 0.67 -0.29 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 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 -1.29 1.32 -3.74 1.43 -0.00 0.12 -4.96 117.44 110.32 1hrr n TRP 80 Ca 0.09 0.85 -0.17 0.00 -0.00 0.00 0.00 57.50 58.27 1hrr n TRP 80 Cb 0.15 -2.25 -0.17 0.00 -0.00 0.00 0.00 31.31 29.05 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 1.16 -0.07 -0.05 5.87 2.01 -1.26 -5.01 115.64 118.29 1hrr s THR 81 Ca 0.92 0.29 -0.34 0.00 0.31 0.00 0.00 61.69 62.87 1hrr s THR 81 Cb -1.17 -0.11 -0.12 0.00 0.01 0.00 0.00 72.50 71.11 1hrr s THR 81 CO 0.59 0.12 1.81 -0.11 -0.69 0.00 0.00 174.62 176.34 1hrr n LEU 82 N 4.59 3.29 -4.55 4.42 0.00 -1.26 0.07 117.00 123.57 1hrr n LEU 82 Ca -0.19 1.00 -0.33 0.00 0.00 0.00 0.00 56.01 56.49 1hrr n LEU 82 Cb 0.50 -1.36 -0.05 0.00 0.00 0.00 0.00 43.42 42.51 1hrr n LEU 82 CO 0.16 -0.14 1.94 1.17 0.00 0.00 0.00 177.39 180.53 1hrr n LYS 83 N 5.89 0.88 -1.95 1.96 4.81 -0.05 -4.41 118.16 125.28 1hrr n LYS 83 Ca 0.22 -0.12 -0.36 0.00 -0.87 0.00 0.00 58.31 57.18 1hrr n LYS 83 Cb 0.28 -3.30 -0.00 0.00 0.02 0.00 0.00 35.03 32.03 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 15.77 6.48 0.00 3.14 0.00 -1.26 -4.90 120.51 139.73 1hrr n ALA 84 Ca 0.41 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.96 1hrr n ALA 84 Cb 0.49 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91