#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hlq s ALA 2 N 0.00 3.06 0.49 0.00 0.00 -1.26 -4.93 121.76 119.11 1hlq s ALA 2 Ca 0.00 1.37 -0.23 0.00 0.00 0.00 0.00 51.96 53.10 1hlq s ALA 2 Cb 0.00 -3.56 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 1hlq s ALA 2 CO 0.00 -1.21 1.27 -1.25 0.00 0.00 0.00 175.76 174.57 1hlq s PRO 3 N -2.63 3.54 0.03 0.00 0.04 -1.26 -4.81 135.00 129.91 1hlq s PRO 3 Ca 0.65 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.71 1hlq s PRO 3 Cb -0.41 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 1hlq s PRO 3 CO 0.51 -0.81 0.21 -0.51 0.04 0.00 0.00 177.00 176.45 1hlq s LEU 4 N -3.12 4.36 0.27 -3.56 1.43 -1.26 -0.35 118.68 116.44 1hlq s LEU 4 Ca 0.66 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.79 1hlq s LEU 4 Cb -0.35 -2.82 -0.13 0.00 0.03 0.00 0.00 46.19 42.91 1hlq s LEU 4 CO 0.43 0.21 1.35 0.52 0.23 0.00 0.00 176.35 179.08 1hlq n VAL 5 N 0.59 1.30 -3.54 -1.59 0.31 0.72 -4.77 118.33 111.35 1hlq n VAL 5 Ca -0.08 -0.32 -0.38 0.00 -0.01 0.00 0.00 64.34 63.55 1hlq n VAL 5 Cb 0.52 -1.46 -0.06 0.00 -0.91 0.00 0.00 33.84 31.93 1hlq n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hlq s ALA 6 N -0.40 3.70 0.38 3.52 0.00 -1.26 -4.98 121.76 122.72 1hlq s ALA 6 Ca 0.64 -0.27 0.38 0.00 0.00 0.00 0.00 51.96 52.71 1hlq s ALA 6 Cb -0.64 -2.35 1.86 0.00 0.00 0.00 0.00 23.12 21.99 1hlq s ALA 6 CO 0.54 0.46 2.17 0.93 0.00 0.00 0.00 175.76 179.85 1hlq h GLU 7 N 4.91 0.00 -0.00 0.00 5.08 -1.93 -1.05 114.58 121.58 1hlq h GLU 7 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1hlq h GLU 7 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1hlq h GLU 7 CO 0.62 0.01 -0.22 0.25 -1.00 0.00 0.00 179.01 178.67 1hlq n THR 8 N -3.12 0.00 -1.82 1.13 -2.24 -1.26 -3.58 114.28 103.39 1hlq n THR 8 Ca -0.01 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.30 1hlq n THR 8 Cb 0.20 0.16 0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1hlq n THR 8 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1hlq s ASP 9 N -2.58 5.56 0.19 3.42 -0.00 -0.40 -4.74 116.67 118.12 1hlq s ASP 9 Ca 0.24 2.79 -0.12 0.00 -0.00 0.00 0.00 52.55 55.46 1hlq s ASP 9 Cb 0.19 -2.64 0.19 0.00 -0.00 0.00 0.00 42.92 40.67 1hlq s ASP 9 CO 0.53 -1.38 1.76 0.00 -0.00 0.00 0.00 175.17 176.08 1hlq h ALA 10 N 1.83 0.68 -0.28 5.23 0.00 -1.90 0.15 119.26 124.97 1hlq h ALA 10 Ca -0.51 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1hlq h ALA 10 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1hlq h ALA 10 CO 0.59 -0.16 -0.42 -0.91 0.00 0.00 0.00 179.25 178.35 1hlq h ASN 11 N 0.43 0.73 0.01 0.00 2.35 -1.95 -1.77 115.58 115.37 1hlq h ASN 11 Ca 0.26 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1hlq h ASN 11 Cb 0.25 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1hlq h ASN 11 CO -0.23 1.05 -0.02 0.00 -1.65 0.00 0.00 177.43 176.58 1hlq h ALA 12 N 0.98 -0.03 -0.58 -0.83 0.00 -1.70 -1.07 119.26 116.02 1hlq h ALA 12 Ca 0.04 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1hlq h ALA 12 Cb 0.96 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1hlq h ALA 12 CO 0.09 -0.52 0.34 0.87 0.00 0.00 0.00 179.25 180.03 1hlq h LYS 13 N -0.04 0.65 -0.32 0.00 1.57 -0.64 0.98 116.57 118.77 1hlq h LYS 13 Ca 0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1hlq h LYS 13 Cb 0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1hlq h LYS 13 CO -0.01 0.43 0.02 1.03 -0.57 0.00 0.00 179.45 180.35 1hlq h SER 14 N 0.67 0.54 0.99 0.86 0.87 -1.10 -2.96 113.55 113.43 1hlq h SER 14 Ca 0.24 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1hlq h SER 14 Cb 0.05 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1hlq h SER 14 CO -0.12 0.70 0.00 0.18 -0.53 0.00 0.00 176.83 177.07 1hlq n LEU 15 N -4.56 0.17 0.00 2.23 4.77 -0.43 -4.91 117.00 114.27 1hlq n LEU 15 Ca -0.02 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1hlq n LEU 15 Cb 0.25 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1hlq n LEU 15 CO 0.39 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1hlq n GLY 16 N 1.17 0.41 3.74 -0.72 0.00 0.13 -1.19 105.19 108.74 1hlq n GLY 16 Ca 0.06 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1hlq n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hlq s TYR 17 N -2.00 2.98 0.03 1.61 5.04 -0.01 -4.58 117.35 120.42 1hlq s TYR 17 Ca 0.00 0.93 0.03 0.00 -2.44 0.00 0.00 57.07 55.60 1hlq s TYR 17 Cb 0.00 -3.88 -0.02 0.00 0.35 0.00 0.00 41.96 38.42 1hlq s TYR 17 CO 0.00 -2.92 -0.11 0.14 -1.34 0.00 0.00 175.55 171.32 1hlq s VAL 18 N 0.14 0.82 -0.66 3.14 -7.23 -0.22 -4.76 120.40 111.63 1hlq s VAL 18 Ca 0.61 -0.81 0.23 0.00 -1.81 0.00 0.00 61.98 60.21 1hlq s VAL 18 Cb -0.43 -0.76 0.24 0.00 0.56 0.00 0.00 36.38 35.99 1hlq s VAL 18 CO 0.42 -0.03 1.71 0.00 -0.31 0.00 0.00 175.10 176.90 1hlq n ALA 19 N 2.11 1.88 -3.74 1.32 0.00 -1.26 -1.52 120.51 119.30 1hlq n ALA 19 Ca -0.18 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 1hlq n ALA 19 Cb 0.56 -1.40 -0.17 0.00 0.00 0.00 0.00 19.45 18.44 1hlq n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hlq s ASP 20 N -4.05 1.38 0.61 0.00 2.15 -1.26 -2.25 116.67 113.26 1hlq s ASP 20 Ca 0.07 -0.08 0.31 0.00 0.43 0.00 0.00 52.55 53.28 1hlq s ASP 20 Cb 0.11 -0.42 1.76 0.00 -0.30 0.00 0.00 42.92 44.07 1hlq s ASP 20 CO 0.44 -0.17 2.10 0.00 -0.17 0.00 0.00 175.17 177.38 1hlq h THR 21 N 6.29 0.32 0.00 1.71 1.03 -0.94 -0.92 112.91 120.40 1hlq h THR 21 Ca -0.24 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.16 1hlq h THR 21 Cb 1.13 0.82 0.00 0.00 -1.07 0.00 0.00 68.15 69.03 1hlq h THR 21 CO 0.31 0.00 0.00 0.71 -0.01 0.00 0.00 175.52 176.53 1hlq h THR 22 N 0.00 0.00 -0.65 0.00 1.35 -1.90 -2.47 112.91 109.24 1hlq h THR 22 Ca 0.07 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1hlq h THR 22 Cb 0.48 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1hlq h THR 22 CO -0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1hlq n LYS 23 N -2.44 3.06 -1.82 4.72 4.76 -0.35 -5.01 118.16 121.08 1hlq n LYS 23 Ca 0.01 -2.66 -0.36 0.00 -2.87 0.00 0.00 58.31 52.43 1hlq n LYS 23 Cb 0.22 -1.63 0.06 0.00 -1.84 0.00 0.00 35.03 31.83 1hlq n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hlq s ALA 24 N -1.29 2.42 -0.77 7.82 0.00 -0.93 -4.91 121.76 124.10 1hlq s ALA 24 Ca 0.46 1.13 -0.23 0.00 0.00 0.00 0.00 51.96 53.32 1hlq s ALA 24 Cb 0.26 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.94 1hlq s ALA 24 CO 0.28 -1.47 1.12 0.34 0.00 0.00 0.00 175.76 176.04 1hlq s ASP 25 N -1.49 6.28 0.54 0.00 3.68 -1.26 -4.88 116.67 119.54 1hlq s ASP 25 Ca 0.81 -1.10 0.31 0.00 2.13 0.00 0.00 52.55 54.70 1hlq s ASP 25 Cb -0.35 -2.47 1.46 0.00 -1.45 0.00 0.00 42.92 40.11 1hlq s ASP 25 CO 0.38 -1.48 2.04 0.11 0.13 0.00 0.00 175.17 176.34 1hlq h LYS 26 N 9.58 0.00 -0.50 4.34 1.57 -1.91 -0.44 116.57 129.21 1hlq h LYS 26 Ca -0.15 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 1hlq h LYS 26 Cb 1.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1hlq h LYS 26 CO 1.22 0.09 -0.10 1.15 -0.57 0.00 0.00 179.45 181.24 1hlq h THR 27 N 0.00 1.27 0.09 -0.16 2.02 -1.99 -2.19 112.91 111.95 1hlq h THR 27 Ca -0.00 -1.24 -0.25 0.00 0.77 0.00 0.00 66.41 65.68 1hlq h THR 27 Cb 0.43 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1hlq h THR 27 CO 0.01 0.43 -1.15 0.11 0.37 0.00 0.00 175.52 175.29 1hlq h LYS 28 N 0.82 0.21 -2.57 6.66 1.57 -1.90 -3.41 116.57 117.96 1hlq h LYS 28 Ca 0.13 -0.34 -0.60 0.00 -1.87 0.00 0.00 60.65 57.96 1hlq h LYS 28 Cb 0.66 0.13 -0.41 0.00 0.08 0.00 0.00 32.23 32.69 1hlq h LYS 28 CO 0.05 1.15 -0.70 0.66 -0.57 0.00 0.00 179.45 180.03 1hlq n TYR 29 N -3.51 2.30 0.29 -1.35 4.02 -0.21 -4.95 117.16 113.75 1hlq n TYR 29 Ca -0.06 -4.02 0.17 0.00 -0.01 0.00 0.00 57.90 53.97 1hlq n TYR 29 Cb 0.98 -0.43 0.81 0.00 -0.02 0.00 0.00 39.34 40.69 1hlq n TYR 29 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1hlq h PRO 30 N 4.89 0.00 -0.00 -0.72 0.13 -1.64 0.18 132.00 134.85 1hlq h PRO 30 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1hlq h PRO 30 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1hlq h PRO 30 CO 0.67 0.00 -0.08 1.63 -0.23 0.00 0.00 178.00 179.99 1hlq n LYS 31 N -2.71 0.63 -2.21 0.86 5.02 -1.26 -4.88 118.16 113.61 1hlq n LYS 31 Ca -0.01 -0.17 -0.36 0.00 -2.02 0.00 0.00 58.31 55.75 1hlq n LYS 31 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1hlq n LYS 31 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1hlq s HIS 32 N -2.49 2.74 0.06 2.13 2.46 0.64 -5.06 115.29 115.77 1hlq s HIS 32 Ca 0.29 1.53 0.01 0.00 0.47 0.00 0.00 55.06 57.36 1hlq s HIS 32 Cb 0.20 -3.39 -0.03 0.00 -0.13 0.00 0.00 32.58 29.23 1hlq s HIS 32 CO 0.47 -1.67 -0.05 0.95 -2.47 0.00 0.00 174.74 171.97 1hlq s THR 33 N -1.60 0.42 -1.09 0.89 -4.23 -1.26 -5.05 115.64 103.71 1hlq s THR 33 Ca 0.68 -1.47 0.16 0.00 -1.18 0.00 0.00 61.69 59.88 1hlq s THR 33 Cb -0.28 -1.08 0.17 0.00 1.34 0.00 0.00 72.50 72.65 1hlq s THR 33 CO 0.33 -0.70 1.52 0.29 -0.54 0.00 0.00 174.62 175.52 1hlq n LYS 34 N 0.72 0.05 0.00 3.99 5.02 -1.26 -1.53 118.16 125.15 1hlq n LYS 34 Ca -0.18 0.20 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 1hlq n LYS 34 Cb 0.58 -1.50 0.50 0.00 -0.02 0.00 0.00 35.03 34.59 1hlq n LYS 34 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1hlq n ASP 35 N -1.45 0.31 -4.70 4.39 8.00 -1.26 -4.73 116.55 117.12 1hlq n ASP 35 Ca 0.05 -0.09 -0.39 0.00 0.71 0.00 0.00 54.79 55.07 1hlq n ASP 35 Cb 0.18 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1hlq n ASP 35 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1hlq s GLN 36 N -2.83 4.32 0.24 -1.24 -0.21 -0.58 -4.86 119.66 114.50 1hlq s GLN 36 Ca 0.18 0.63 -0.17 0.00 0.02 0.00 0.00 55.36 56.02 1hlq s GLN 36 Cb 0.19 -3.50 0.02 0.00 1.00 0.00 0.00 33.01 30.72 1hlq s GLN 36 CO 0.57 -0.03 0.58 -1.54 -2.12 0.00 0.00 175.29 172.75 1hlq s SER 37 N 0.90 -0.21 0.29 5.90 1.04 -1.26 -4.80 113.70 115.55 1hlq s SER 37 Ca 0.30 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 56.10 1hlq s SER 37 Cb -0.16 0.64 0.61 0.00 0.10 0.00 0.00 66.02 67.21 1hlq s SER 37 CO 0.13 -1.19 1.82 0.00 0.98 0.00 0.00 173.24 174.97 1hlq h SER 39 N 0.92 0.06 -0.46 0.00 4.64 -1.12 -0.59 113.55 117.01 1hlq h SER 39 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1hlq h SER 39 Cb 0.62 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1hlq h SER 39 CO -0.30 0.03 0.00 0.35 -0.87 0.00 0.00 176.83 176.04 1hlq n THR 40 N -4.41 1.55 -3.36 2.95 -2.24 -0.27 -4.99 114.28 103.51 1hlq n THR 40 Ca 0.09 -1.25 -0.36 0.00 -2.27 0.00 0.00 64.05 60.25 1hlq n THR 40 Cb 0.54 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 1hlq n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hlq h ALA 42 N 3.84 1.62 0.00 0.00 0.00 -0.27 -2.95 119.26 121.50 1hlq h ALA 42 Ca -0.49 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1hlq h ALA 42 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1hlq h ALA 42 CO 0.65 0.18 -0.49 -0.07 0.00 0.00 0.00 179.25 179.52 1hlq h LEU 43 N 0.00 0.00 -9.65 0.00 3.38 -1.91 -3.47 115.31 103.66 1hlq h LEU 43 Ca -0.00 -0.08 -0.53 0.00 0.09 0.00 0.00 57.88 57.36 1hlq h LEU 43 Cb 0.28 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.07 1hlq h LEU 43 CO 0.02 0.04 0.75 -0.47 0.09 0.00 0.00 178.44 178.87 1hlq s TYR 44 N -3.21 3.14 -1.20 1.13 6.04 -1.12 -4.34 117.35 117.80 1hlq s TYR 44 Ca 0.05 0.97 0.12 0.00 0.04 0.00 0.00 57.07 58.25 1hlq s TYR 44 Cb 0.11 -3.76 0.24 0.00 -1.04 0.00 0.00 41.96 37.50 1hlq s TYR 44 CO 0.71 -2.58 1.12 1.04 -1.54 0.00 0.00 175.55 174.30 1hlq n GLN 45 N 3.13 1.99 0.00 4.97 6.02 0.31 -4.69 117.38 129.11 1hlq n GLN 45 Ca 0.09 -1.74 0.12 0.00 -0.01 0.00 0.00 57.00 55.46 1hlq n GLN 45 Cb 0.41 -1.27 0.54 0.00 1.02 0.00 0.00 30.24 30.95 1hlq n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hlq n GLY 46 N 0.63 -1.30 7.00 1.08 0.00 -1.26 -4.68 105.19 106.65 1hlq n GLY 46 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1hlq n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hlq n LYS 47 N -1.46 0.00 -0.15 1.61 5.02 -1.26 -1.79 118.16 120.13 1hlq n LYS 47 Ca 0.07 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.47 1hlq n LYS 47 Cb 0.27 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.47 1hlq n LYS 47 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1hlq n THR 48 N 0.00 0.45 -1.54 -0.18 -2.24 -1.26 -4.98 114.28 104.53 1hlq n THR 48 Ca 0.00 -0.72 -0.31 0.00 -2.27 0.00 0.00 64.05 60.74 1hlq n THR 48 Cb 0.00 1.03 0.06 0.00 -2.10 0.00 0.00 70.33 69.31 1hlq n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hlq s ALA 49 N -1.45 2.58 -0.31 6.98 0.00 -0.74 -4.93 121.76 123.89 1hlq s ALA 49 Ca 0.34 0.17 0.27 0.00 0.00 0.00 0.00 51.96 52.75 1hlq s ALA 49 Cb 0.21 -3.21 1.05 0.00 0.00 0.00 0.00 23.12 21.16 1hlq s ALA 49 CO 0.29 -1.32 1.81 -1.00 0.00 0.00 0.00 175.76 175.54 1hlq h PRO 50 N -0.69 0.00 -3.78 0.00 0.13 -1.93 -3.43 132.00 122.30 1hlq h PRO 50 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1hlq h PRO 50 Cb 1.22 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 1hlq h PRO 50 CO 0.55 0.00 -0.47 1.14 -0.23 0.00 0.00 178.00 178.99 1hlq s GLN 51 N -3.40 0.67 0.04 0.86 -2.07 -1.26 -1.11 119.66 113.38 1hlq s GLN 51 Ca 0.04 -0.80 -0.28 0.00 -1.82 0.00 0.00 55.36 52.50 1hlq s GLN 51 Cb 0.09 0.26 0.10 0.00 -1.09 0.00 0.00 33.01 32.38 1hlq s GLN 51 CO 0.49 -0.18 1.21 0.20 -1.32 0.00 0.00 175.29 175.69 1hlq s GLY 52 N -2.33 -0.21 0.39 2.60 0.00 -0.50 -4.76 107.32 102.51 1hlq s GLY 52 Ca -0.02 0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.71 1hlq s GLY 52 CO -0.06 2.24 0.94 0.00 0.00 0.00 0.00 173.10 176.22 1hlq s ALA 53 N -2.35 3.10 -0.10 3.20 0.00 -1.26 -0.76 121.76 123.59 1hlq s ALA 53 Ca 0.20 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1hlq s ALA 53 Cb 0.01 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 20.00 1hlq s ALA 53 CO -0.01 0.15 -0.12 0.00 0.00 0.00 0.00 175.76 175.78 1hlq h PRO 55 N 7.56 0.56 -0.99 0.00 0.13 -1.97 -2.02 132.00 135.27 1hlq h PRO 55 Ca -0.31 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1hlq h PRO 55 Cb 1.16 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.11 1hlq h PRO 55 CO 0.47 0.37 0.65 -0.07 -0.23 0.00 0.00 178.00 179.19 1hlq h LEU 56 N 0.58 1.09 -2.88 1.56 3.38 -1.96 -2.29 115.31 114.79 1hlq h LEU 56 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1hlq h LEU 56 Cb 0.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1hlq h LEU 56 CO -0.05 0.75 0.00 0.49 0.09 0.00 0.00 178.44 179.72 1hlq n PHE 57 N -4.44 1.48 -1.45 1.13 3.01 -0.79 -5.01 117.46 111.40 1hlq n PHE 57 Ca 0.13 -0.55 -0.57 0.00 1.01 0.00 0.00 57.45 57.48 1hlq n PHE 57 Cb 0.08 -0.32 -0.08 0.00 -0.01 0.00 0.00 39.48 39.15 1hlq n PHE 57 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hlq n ALA 58 N 0.73 -2.52 0.00 4.37 0.00 -0.86 -1.82 120.51 120.40 1hlq n ALA 58 Ca 0.22 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.17 1hlq n ALA 58 Cb 0.89 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1hlq n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hlq n GLY 59 N 2.25 0.98 2.97 0.00 0.00 -1.26 -5.07 105.19 105.06 1hlq n GLY 59 Ca 0.22 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1hlq n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hlq s LYS 60 N 0.00 0.29 0.41 1.61 1.02 -0.76 -4.86 119.74 117.45 1hlq s LYS 60 Ca 0.00 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 55.52 1hlq s LYS 60 Cb 0.00 -0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 1hlq s LYS 60 CO 0.00 -0.01 0.64 -1.21 -0.92 0.00 0.00 175.35 173.86 1hlq s GLU 61 N -1.03 3.36 0.25 1.68 2.02 0.52 -4.64 118.70 120.86 1hlq s GLU 61 Ca -0.10 -0.25 0.08 0.00 0.02 0.00 0.00 54.97 54.72 1hlq s GLU 61 Cb -0.07 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1hlq s GLU 61 CO -0.00 -0.07 0.12 0.14 0.02 0.00 0.00 175.26 175.46 1hlq s VAL 62 N -2.49 4.08 0.01 2.63 -7.23 0.06 -0.20 120.40 117.25 1hlq s VAL 62 Ca 0.44 -1.57 -0.20 0.00 -1.81 0.00 0.00 61.98 58.84 1hlq s VAL 62 Cb -0.10 -3.19 -0.06 0.00 0.56 0.00 0.00 36.38 33.60 1hlq s VAL 62 CO 0.39 -0.34 0.58 -0.69 -0.31 0.00 0.00 175.10 174.73 1hlq s VAL 63 N -2.17 4.89 0.44 1.32 1.01 -1.26 -1.42 120.40 123.20 1hlq s VAL 63 Ca 0.32 1.22 0.13 0.00 0.00 0.00 0.00 61.98 63.66 1hlq s VAL 63 Cb -0.07 -3.92 0.32 0.00 0.00 0.00 0.00 36.38 32.71 1hlq s VAL 63 CO 0.23 0.45 1.99 0.00 0.00 0.00 0.00 175.10 177.77 1hlq h ALA 64 N 5.43 1.99 -0.16 5.51 0.00 -1.38 0.98 119.26 131.63 1hlq h ALA 64 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1hlq h ALA 64 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1hlq h ALA 64 CO 0.68 -0.11 0.00 0.36 0.00 0.00 0.00 179.25 180.18 1hlq n LYS 65 N -4.47 1.74 0.00 0.00 0.00 -1.26 -0.57 118.16 113.60 1hlq n LYS 65 Ca 0.09 -1.11 0.00 0.00 -0.00 0.00 0.00 58.31 57.29 1hlq n LYS 65 Cb 0.34 -1.40 0.00 0.00 -0.00 0.00 0.00 35.03 33.97 1hlq n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1hlq n GLY 66 N 1.14 -1.01 3.58 2.58 0.00 0.34 -0.45 105.19 111.37 1hlq n GLY 66 Ca 0.16 -1.66 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 1hlq n GLY 66 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1hlq s TRP 67 N -0.68 -0.29 0.15 1.61 -0.00 -0.57 -0.60 118.94 118.55 1hlq s TRP 67 Ca 0.00 0.42 -0.07 0.00 -0.00 0.00 0.00 56.10 56.45 1hlq s TRP 67 Cb 0.00 0.48 -0.02 0.00 -0.00 0.00 0.00 33.47 33.93 1hlq s TRP 67 CO 0.00 -0.31 0.22 0.00 -0.00 0.00 0.00 176.95 176.86 1hlq n SER 69 N -0.18 0.00 -0.23 0.00 3.41 -0.33 -1.52 113.62 114.77 1hlq n SER 69 Ca -0.07 0.36 0.14 0.00 -0.26 0.00 0.00 58.87 59.04 1hlq n SER 69 Cb 0.63 -0.42 0.70 0.00 -0.26 0.00 0.00 64.21 64.86 1hlq n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hlq n ALA 70 N -1.42 2.62 -1.53 7.33 0.00 -1.26 -4.94 120.51 121.31 1hlq n ALA 70 Ca 0.03 -0.31 -0.50 0.00 0.00 0.00 0.00 53.44 52.66 1hlq n ALA 70 Cb 0.10 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 1hlq n ALA 70 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1hlq n TRP 71 N -0.42 0.85 -3.74 0.00 -0.00 -0.57 -4.99 117.44 108.58 1hlq n TRP 71 Ca 0.20 0.80 -0.15 0.00 -0.00 0.00 0.00 57.50 58.35 1hlq n TRP 71 Cb 0.22 -2.18 -0.15 0.00 -0.00 0.00 0.00 31.31 29.19 1hlq n TRP 71 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1hlq s ALA 72 N -0.39 -0.13 0.37 5.87 0.00 -1.26 -5.04 121.76 121.18 1hlq s ALA 72 Ca 0.73 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.95 1hlq s ALA 72 Cb -0.92 -0.47 -0.11 0.00 0.00 0.00 0.00 23.12 21.61 1hlq s ALA 72 CO 0.54 -0.23 1.35 0.36 0.00 0.00 0.00 175.76 177.78 1hlq n LYS 73 N 4.45 2.27 0.00 0.00 2.85 -1.26 0.38 118.16 126.84 1hlq n LYS 73 Ca -0.22 0.80 0.14 0.00 -1.05 0.00 0.00 58.31 57.98 1hlq n LYS 73 Cb 0.51 -2.45 0.58 0.00 -0.65 0.00 0.00 35.03 33.03 1hlq n LYS 73 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71