#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5hpg s MET 2 N -3.93 2.00 -0.17 0.00 0.23 0.95 -4.75 119.30 113.64 5hpg s MET 2 Ca 0.14 -1.97 -0.05 0.00 -1.03 0.00 0.00 55.69 52.78 5hpg s MET 2 Cb 0.01 -1.76 -0.03 0.00 -1.53 0.00 0.00 34.83 31.52 5hpg s MET 2 CO -0.01 0.00 0.00 -0.06 -2.03 0.00 0.00 175.02 172.93 5hpg s PHE 3 N -2.64 3.11 0.00 3.16 0.08 -1.26 -0.83 117.98 119.60 5hpg s PHE 3 Ca 0.36 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.25 5hpg s PHE 3 Cb 0.06 -2.01 0.00 0.00 -0.57 0.00 0.00 43.02 40.50 5hpg s PHE 3 CO 0.19 0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.75 5hpg n GLY 4 N 3.54 2.51 0.29 4.36 0.00 -1.26 -1.77 105.19 112.86 5hpg n GLY 4 Ca -0.17 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.62 5hpg n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 5hpg n ASN 5 N 4.10 0.93 -0.45 1.61 0.23 -1.26 -4.94 115.26 115.48 5hpg n ASN 5 Ca 0.00 -1.23 -0.05 0.00 -0.53 0.00 0.00 54.58 52.78 5hpg n ASN 5 Cb 0.00 -0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 5hpg n ASN 5 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 5hpg n GLY 6 N 1.14 0.45 0.34 4.83 0.00 -0.73 -3.97 105.19 107.25 5hpg n GLY 6 Ca 0.20 -0.77 0.17 0.00 0.00 0.00 0.00 46.02 45.61 5hpg n GLY 6 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 5hpg h LYS 7 N 0.00 0.00 0.00 1.61 3.64 -1.80 -2.48 116.57 117.54 5hpg h LYS 7 Ca -0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 5hpg h LYS 7 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 5hpg h LYS 7 CO 0.13 0.00 -0.65 0.41 -2.27 0.00 0.00 179.45 177.07 5hpg n GLY 8 N -1.50 -1.31 3.68 5.01 0.00 -1.26 -4.70 105.19 105.11 5hpg n GLY 8 Ca 0.03 -0.32 -0.49 0.00 0.00 0.00 0.00 46.02 45.25 5hpg n GLY 8 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 5hpg n TYR 9 N -1.83 2.25 -2.01 1.61 9.36 -0.93 -4.91 117.16 120.71 5hpg n TYR 9 Ca 0.04 0.14 0.05 0.00 3.32 0.00 0.00 57.90 61.45 5hpg n TYR 9 Cb 0.40 -2.60 0.11 0.00 -0.63 0.00 0.00 39.34 36.61 5hpg n TYR 9 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 5hpg n ARG 10 N 5.45 0.74 -1.07 2.98 5.12 -1.26 -4.80 116.66 123.82 5hpg n ARG 10 Ca 0.21 -2.52 -0.25 0.00 -1.93 0.00 0.00 57.85 53.35 5hpg n ARG 10 Cb 0.27 -0.80 0.20 0.00 -1.16 0.00 0.00 32.46 30.98 5hpg n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 5hpg n GLY 11 N -0.33 -2.41 0.55 -0.13 0.00 -1.26 -5.02 105.19 96.60 5hpg n GLY 11 Ca 0.12 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.66 5hpg n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 5hpg n LYS 12 N -4.12 1.90 -2.45 1.61 4.76 -1.26 -4.78 118.16 113.83 5hpg n LYS 12 Ca 0.13 -2.85 -0.40 0.00 -2.87 0.00 0.00 58.31 52.33 5hpg n LYS 12 Cb 0.50 -1.67 -0.04 0.00 -1.84 0.00 0.00 35.03 31.98 5hpg n LYS 12 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 5hpg s ARG 13 N -2.97 4.54 -0.01 1.97 0.52 -1.26 -4.93 118.95 116.81 5hpg s ARG 13 Ca 0.38 1.81 0.01 0.00 -0.52 0.00 0.00 55.73 57.41 5hpg s ARG 13 Cb 0.33 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.73 5hpg s ARG 13 CO 0.03 0.12 0.73 1.33 0.02 0.00 0.00 175.30 177.53 5hpg n VAL 14 N 0.98 0.31 -5.18 3.52 0.24 -1.26 -0.84 118.33 116.10 5hpg n VAL 14 Ca -0.00 -0.34 -0.30 0.00 -2.04 0.00 0.00 64.34 61.66 5hpg n VAL 14 Cb 0.45 0.74 -0.16 0.00 -1.47 0.00 0.00 33.84 33.39 5hpg n VAL 14 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 5hpg s THR 15 N -0.38 1.92 0.91 3.34 2.01 -1.26 -1.14 115.64 121.05 5hpg s THR 15 Ca 0.02 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 60.89 5hpg s THR 15 Cb 0.02 -1.63 0.14 0.00 0.01 0.00 0.00 72.50 71.04 5hpg s THR 15 CO 0.00 0.54 1.17 0.42 -0.69 0.00 0.00 174.62 176.06 5hpg s THR 16 N -0.16 1.97 -1.25 -0.82 -4.23 -0.22 -4.27 115.64 106.66 5hpg s THR 16 Ca -0.02 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.63 5hpg s THR 16 Cb -0.13 -2.82 0.20 0.00 1.34 0.00 0.00 72.50 71.08 5hpg s THR 16 CO 0.03 0.00 1.42 1.33 -0.54 0.00 0.00 174.62 176.86 5hpg n VAL 17 N -3.72 0.78 0.69 2.29 0.24 0.11 -1.67 118.33 117.04 5hpg n VAL 17 Ca 0.08 0.19 0.10 0.00 -2.04 0.00 0.00 64.34 62.68 5hpg n VAL 17 Cb 0.60 -0.95 -0.11 0.00 -1.47 0.00 0.00 33.84 31.91 5hpg n VAL 17 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 5hpg n THR 18 N -1.38 0.02 0.00 3.34 -2.24 -1.26 -4.95 114.28 107.81 5hpg n THR 18 Ca 0.05 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 5hpg n THR 18 Cb 0.14 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 5hpg n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5hpg n GLY 19 N 1.42 1.82 3.73 3.38 0.00 -0.67 -5.08 105.19 109.79 5hpg n GLY 19 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 5hpg n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5hpg s THR 20 N -2.26 2.78 0.76 2.61 2.01 -1.26 -4.75 115.64 115.53 5hpg s THR 20 Ca 0.00 0.61 -0.12 0.00 0.31 0.00 0.00 61.69 62.48 5hpg s THR 20 Cb 0.00 -3.39 0.05 0.00 0.01 0.00 0.00 72.50 69.17 5hpg s THR 20 CO 0.00 0.07 1.12 -2.84 -0.69 0.00 0.00 174.62 172.28 5hpg s PRO 21 N 0.42 2.19 0.52 4.92 0.02 -1.26 -1.06 135.00 140.75 5hpg s PRO 21 Ca 0.64 1.39 -0.19 0.00 0.02 0.00 0.00 61.00 62.86 5hpg s PRO 21 Cb -0.41 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.16 5hpg s PRO 21 CO 0.37 -1.72 1.04 0.00 -0.33 0.00 0.00 177.00 176.36 5hpg s GLN 23 N -3.53 4.38 0.41 0.00 0.74 0.25 -4.55 119.66 117.35 5hpg s GLN 23 Ca 0.66 0.99 -0.27 0.00 0.05 0.00 0.00 55.36 56.79 5hpg s GLN 23 Cb -0.16 -3.00 -0.10 0.00 1.10 0.00 0.00 33.01 30.85 5hpg s GLN 23 CO 0.26 0.45 1.46 -0.51 -0.55 0.00 0.00 175.29 176.40 5hpg s ASP 24 N -1.48 6.12 0.36 6.67 1.01 -1.26 -4.57 116.67 123.53 5hpg s ASP 24 Ca 0.41 3.00 0.03 0.00 0.71 0.00 0.00 52.55 56.70 5hpg s ASP 24 Cb -0.19 -2.66 0.67 0.00 1.01 0.00 0.00 42.92 41.75 5hpg s ASP 24 CO 0.23 -1.02 2.01 -0.50 0.21 0.00 0.00 175.17 176.10 5hpg h TRP 25 N 2.69 0.74 0.00 4.23 4.06 -0.32 -1.69 115.95 125.65 5hpg h TRP 25 Ca -0.51 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.45 5hpg h TRP 25 Cb 1.25 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 29.16 5hpg h TRP 25 CO 0.52 0.47 0.00 0.00 -3.56 0.00 0.00 178.44 175.87 5hpg n ALA 26 N -2.45 2.13 -2.33 1.49 0.00 -1.26 -4.48 120.51 113.62 5hpg n ALA 26 Ca 0.06 -0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 5hpg n ALA 26 Cb 0.05 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 5hpg n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5hpg s ALA 27 N -3.04 3.55 -0.16 0.00 0.00 -0.64 -4.97 121.76 116.50 5hpg s ALA 27 Ca 0.11 -0.10 0.17 0.00 0.00 0.00 0.00 51.96 52.15 5hpg s ALA 27 Cb 0.15 -2.56 0.40 0.00 0.00 0.00 0.00 23.12 21.11 5hpg s ALA 27 CO 0.48 0.44 1.28 1.04 0.00 0.00 0.00 175.76 179.00 5hpg n GLN 28 N 0.72 2.00 -3.77 0.00 1.13 -1.26 -4.82 117.38 111.39 5hpg n GLN 28 Ca -0.04 -2.74 -0.13 0.00 -1.94 0.00 0.00 57.00 52.15 5hpg n GLN 28 Cb 0.52 -1.66 -0.11 0.00 0.11 0.00 0.00 30.24 29.09 5hpg n GLN 28 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 5hpg s GLU 29 N -2.89 0.32 0.58 -1.09 0.41 -1.26 -2.58 118.70 112.20 5hpg s GLU 29 Ca 0.37 0.41 0.37 0.00 -0.41 0.00 0.00 54.97 55.71 5hpg s GLU 29 Cb 0.31 0.14 1.65 0.00 -1.78 0.00 0.00 34.13 34.45 5hpg s GLU 29 CO 0.05 -0.05 2.08 -1.00 -0.49 0.00 0.00 175.26 175.85 5hpg h PRO 30 N 5.84 0.00 -5.02 0.39 0.13 -1.90 -3.46 132.00 127.99 5hpg h PRO 30 Ca -0.27 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.20 5hpg h PRO 30 Cb 1.19 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 5hpg h PRO 30 CO 0.33 0.00 -0.72 -1.01 -0.23 0.00 0.00 178.00 176.37 5hpg s HIS 31 N -3.79 2.95 0.62 1.56 3.76 -1.26 -5.06 115.29 114.07 5hpg s HIS 31 Ca -0.00 -0.92 -0.17 0.00 -0.15 0.00 0.00 55.06 53.82 5hpg s HIS 31 Cb 0.10 -2.09 -0.02 0.00 1.11 0.00 0.00 32.58 31.68 5hpg s HIS 31 CO 0.50 -0.53 1.13 1.03 -0.85 0.00 0.00 174.74 176.03 5hpg s ARG 32 N 1.41 2.97 -0.19 1.40 3.00 -1.06 -4.35 118.95 122.13 5hpg s ARG 32 Ca 0.05 1.53 -0.07 0.00 0.00 0.00 0.00 55.73 57.24 5hpg s ARG 32 Cb -0.14 -1.96 0.09 0.00 0.00 0.00 0.00 34.95 32.93 5hpg s ARG 32 CO -0.03 -1.14 0.41 -3.38 0.00 0.00 0.00 175.30 171.16 5hpg s HIS 33 N -2.05 -0.76 -0.56 -0.53 -3.43 -1.26 -5.02 115.29 101.67 5hpg s HIS 33 Ca 0.70 1.48 0.25 0.00 -0.80 0.00 0.00 55.06 56.69 5hpg s HIS 33 Cb -0.23 0.28 0.71 0.00 -1.43 0.00 0.00 32.58 31.91 5hpg s HIS 33 CO 0.36 -0.47 1.73 0.66 -2.00 0.00 0.00 174.74 175.02 5hpg h SER 34 N 8.15 0.00 -2.00 7.38 4.64 -2.01 -3.46 113.55 126.25 5hpg h SER 34 Ca -0.16 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.55 5hpg h SER 34 Cb 1.11 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.07 5hpg h SER 34 CO 0.13 0.00 -0.65 0.27 -0.87 0.00 0.00 176.83 175.71 5hpg s ILE 35 N -3.19 2.05 -1.19 0.95 -4.36 -1.26 -4.86 121.20 109.33 5hpg s ILE 35 Ca 0.08 -2.12 -0.10 0.00 -0.26 0.00 0.00 60.65 58.25 5hpg s ILE 35 Cb 0.09 -2.76 -0.02 0.00 1.25 0.00 0.00 42.46 41.03 5hpg s ILE 35 CO 0.60 -0.13 0.76 0.49 0.24 0.00 0.00 174.94 176.90 5hpg n PHE 36 N -0.83 -1.98 -3.67 1.37 3.72 -1.26 -5.03 117.46 109.78 5hpg n PHE 36 Ca -0.05 0.66 -0.21 0.00 -0.05 0.00 0.00 57.45 57.80 5hpg n PHE 36 Cb 0.65 -3.87 -0.03 0.00 -0.94 0.00 0.00 39.48 35.29 5hpg n PHE 36 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 5hpg s THR 37 N -3.55 3.30 -0.22 4.37 -4.23 -1.26 -4.93 115.64 109.12 5hpg s THR 37 Ca 0.29 -1.31 0.27 0.00 -1.18 0.00 0.00 61.69 59.77 5hpg s THR 37 Cb -0.09 -3.14 0.30 0.00 1.34 0.00 0.00 72.50 70.91 5hpg s THR 37 CO 0.83 -0.11 1.82 -0.65 -0.54 0.00 0.00 174.62 175.96 5hpg h PRO 38 N 1.12 0.00 0.04 3.99 0.11 -1.82 -0.95 132.00 134.49 5hpg h PRO 38 Ca -0.44 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.36 5hpg h PRO 38 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 5hpg h PRO 38 CO 0.57 0.00 -1.79 0.39 -0.21 0.00 0.00 178.00 176.96 5hpg n GLU 39 N -2.52 0.67 -0.05 1.05 4.71 -1.26 -3.02 120.64 120.22 5hpg n GLU 39 Ca 0.01 0.29 -0.15 0.00 -0.01 0.00 0.00 57.16 57.30 5hpg n GLU 39 Cb 0.22 -1.77 -0.03 0.00 -1.01 0.00 0.00 31.44 28.84 5hpg n GLU 39 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 5hpg h THR 40 N 0.02 1.28 -2.26 2.62 1.35 -1.75 -3.37 112.91 110.81 5hpg h THR 40 Ca -0.33 -1.82 -0.59 0.00 -0.55 0.00 0.00 66.41 63.12 5hpg h THR 40 Cb 2.02 1.76 -0.41 0.00 -1.73 0.00 0.00 68.15 69.79 5hpg h THR 40 CO 0.08 0.59 -0.72 0.59 -0.25 0.00 0.00 175.52 175.80 5hpg n ASN 41 N -3.97 2.68 0.23 5.36 3.02 -0.44 -4.95 115.26 117.20 5hpg n ASN 41 Ca -0.05 -3.20 0.16 0.00 -0.03 0.00 0.00 54.58 51.46 5hpg n ASN 41 Cb 0.66 -0.67 0.77 0.00 -0.61 0.00 0.00 39.78 39.93 5hpg n ASN 41 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 5hpg h PRO 42 N 4.34 0.00 -0.27 3.52 0.13 -1.71 -2.67 132.00 135.33 5hpg h PRO 42 Ca 0.17 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 5hpg h PRO 42 Cb 0.73 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.82 5hpg h PRO 42 CO 0.72 0.00 -0.02 0.54 -0.23 0.00 0.00 178.00 179.01 5hpg n ARG 43 N -2.69 2.38 0.00 0.86 1.74 -1.26 -4.53 116.66 113.16 5hpg n ARG 43 Ca -0.01 -2.93 0.08 0.00 -0.77 0.00 0.00 57.85 54.22 5hpg n ARG 43 Cb 0.16 -1.80 0.02 0.00 -1.02 0.00 0.00 32.46 29.81 5hpg n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 5hpg n ALA 44 N -0.82 3.00 -2.77 7.54 0.00 -1.01 -4.94 120.51 121.51 5hpg n ALA 44 Ca 0.25 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 5hpg n ALA 44 Cb 0.92 -0.56 0.02 0.00 0.00 0.00 0.00 19.45 19.83 5hpg n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5hpg n GLY 45 N 1.09 0.25 2.79 0.00 0.00 -1.26 -4.81 105.19 103.25 5hpg n GLY 45 Ca 0.07 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 5hpg n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 5hpg n LEU 46 N -2.13 6.17 -4.64 0.99 4.32 -1.26 -4.91 117.00 115.53 5hpg n LEU 46 Ca -0.02 -3.74 -0.35 0.00 -0.02 0.00 0.00 56.01 51.88 5hpg n LEU 46 Cb 0.54 -1.47 -0.10 0.00 -1.62 0.00 0.00 43.42 40.78 5hpg n LEU 46 CO 0.24 0.76 -0.27 -1.61 -1.22 0.00 0.00 177.39 175.29 5hpg s GLU 47 N 3.62 3.71 7.68 3.23 2.02 -1.26 -4.64 118.70 133.05 5hpg s GLU 47 Ca 0.52 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.14 5hpg s GLU 47 Cb 0.14 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.28 5hpg s GLU 47 CO -0.03 0.38 0.00 1.63 0.02 0.00 0.00 175.26 177.27 5hpg n LYS 48 N 3.16 0.00 -2.58 1.61 5.02 -1.26 -2.57 118.16 121.54 5hpg n LYS 48 Ca -0.17 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.98 5hpg n LYS 48 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.56 5hpg n LYS 48 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 5hpg n ASN 49 N 6.87 2.69 -4.78 4.39 6.94 -1.26 0.43 115.26 130.54 5hpg n ASN 49 Ca 0.00 -2.95 -0.39 0.00 -0.02 0.00 0.00 54.58 51.22 5hpg n ASN 49 Cb 0.00 -0.48 -0.06 0.00 -2.36 0.00 0.00 39.78 36.88 5hpg n ASN 49 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 5hpg s TYR 50 N -3.41 3.86 0.16 -2.53 2.02 -1.06 -4.56 117.35 111.83 5hpg s TYR 50 Ca 0.35 1.69 -0.31 0.00 -0.37 0.00 0.00 57.07 58.42 5hpg s TYR 50 Cb 0.41 -2.82 -0.11 0.00 -0.40 0.00 0.00 41.96 39.05 5hpg s TYR 50 CO -0.03 0.44 1.76 0.00 -1.57 0.00 0.00 175.55 176.14 5hpg s ARG 52 N 1.98 0.62 -0.59 0.00 1.81 -0.30 -4.77 118.95 117.69 5hpg s ARG 52 Ca 0.77 -1.22 0.06 0.00 -1.72 0.00 0.00 55.73 53.63 5hpg s ARG 52 Cb -0.47 0.20 0.25 0.00 -0.45 0.00 0.00 34.95 34.47 5hpg s ARG 52 CO 0.34 -0.11 0.69 -1.71 -0.68 0.00 0.00 175.30 173.84 5hpg n ASN 53 N 0.12 3.03 0.20 0.23 5.15 -1.26 -1.02 115.26 121.70 5hpg n ASN 53 Ca -0.14 -3.29 0.07 0.00 -0.60 0.00 0.00 54.58 50.63 5hpg n ASN 53 Cb 0.61 -0.67 0.59 0.00 -0.53 0.00 0.00 39.78 39.79 5hpg n ASN 53 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 5hpg h PRO 54 N 4.20 0.12 -0.36 1.20 0.13 -1.87 -2.56 132.00 132.86 5hpg h PRO 54 Ca 0.17 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 5hpg h PRO 54 Cb 0.71 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 5hpg h PRO 54 CO 0.76 0.08 0.03 -0.25 -0.23 0.00 0.00 178.00 178.39 5hpg n ASP 55 N -4.52 3.93 -4.08 1.44 9.92 -1.26 -4.96 116.55 117.02 5hpg n ASP 55 Ca -0.01 -3.16 -0.30 0.00 -0.53 0.00 0.00 54.79 50.78 5hpg n ASP 55 Cb 0.10 -0.60 -0.03 0.00 -0.64 0.00 0.00 41.12 39.95 5hpg n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 5hpg n GLY 56 N -0.48 -0.31 3.70 0.44 0.00 -0.96 -4.93 105.19 102.65 5hpg n GLY 56 Ca 0.26 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 5hpg n GLY 56 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 5hpg n ASP 57 N -2.85 2.64 0.17 1.61 2.03 -1.26 -4.90 116.55 113.99 5hpg n ASP 57 Ca -0.15 1.15 0.14 0.00 0.52 0.00 0.00 54.79 56.45 5hpg n ASP 57 Cb 0.61 -1.50 0.70 0.00 -0.72 0.00 0.00 41.12 40.21 5hpg n ASP 57 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 5hpg h VAL 58 N 2.27 0.80 0.00 5.18 3.04 -1.94 -2.35 116.25 123.25 5hpg h VAL 58 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 5hpg h VAL 58 Cb 1.29 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 5hpg h VAL 58 CO 0.61 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.78 5hpg n GLY 59 N -1.54 -1.20 0.59 3.17 0.00 -1.26 -4.98 105.19 99.97 5hpg n GLY 59 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.97 5hpg n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5hpg n GLY 60 N 0.58 -3.06 3.59 -0.02 0.00 -0.89 -4.94 105.19 100.46 5hpg n GLY 60 Ca 0.05 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 43.83 5hpg n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 5hpg n PRO 61 N -0.45 1.33 -2.94 1.61 -0.02 -1.25 -4.72 135.00 128.57 5hpg n PRO 61 Ca 0.00 0.47 -0.08 0.00 -2.02 0.00 0.00 63.50 61.86 5hpg n PRO 61 Cb 0.00 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 5hpg n PRO 61 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 5hpg n TRP 62 N 0.10 -0.84 -3.77 6.00 4.27 -0.19 -1.58 117.44 121.43 5hpg n TRP 62 Ca 0.09 -1.31 -0.05 0.00 -3.89 0.00 0.00 57.50 52.34 5hpg n TRP 62 Cb 0.33 0.26 -0.02 0.00 -1.36 0.00 0.00 31.31 30.53 5hpg n TRP 62 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 5hpg s TYR 64 N -3.53 3.27 0.18 0.00 2.02 -1.26 -1.17 117.35 116.85 5hpg s TYR 64 Ca 0.11 1.64 0.06 0.00 -0.37 0.00 0.00 57.07 58.52 5hpg s TYR 64 Cb -0.03 -3.11 -0.04 0.00 -0.40 0.00 0.00 41.96 38.38 5hpg s TYR 64 CO 0.03 -0.59 0.08 0.95 -1.57 0.00 0.00 175.55 174.45 5hpg s THR 65 N -1.69 4.14 -1.53 -0.71 -4.23 -0.46 0.84 115.64 112.00 5hpg s THR 65 Ca 0.58 -1.26 0.30 0.00 -1.18 0.00 0.00 61.69 60.13 5hpg s THR 65 Cb -0.21 -3.11 0.57 0.00 1.34 0.00 0.00 72.50 71.09 5hpg s THR 65 CO 0.26 -0.13 2.06 0.35 -0.54 0.00 0.00 174.62 176.63 5hpg n THR 66 N -0.31 0.00 -1.84 3.99 -2.24 -0.57 -4.49 114.28 108.83 5hpg n THR 66 Ca -0.09 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 5hpg n THR 66 Cb 0.55 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 5hpg n THR 66 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 5hpg s ASN 67 N -2.49 6.54 0.43 3.42 3.04 -1.26 -4.86 114.94 119.75 5hpg s ASN 67 Ca 0.31 2.57 0.09 0.00 0.04 0.00 0.00 52.86 55.87 5hpg s ASN 67 Cb 0.20 -2.56 0.94 0.00 -1.54 0.00 0.00 41.25 38.29 5hpg s ASN 67 CO 0.45 -0.95 2.06 1.55 -3.04 0.00 0.00 177.10 177.17 5hpg h PRO 68 N 8.87 0.45 -0.03 0.43 0.13 -1.97 -2.25 132.00 137.63 5hpg h PRO 68 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 5hpg h PRO 68 Cb 1.21 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.24 5hpg h PRO 68 CO 0.94 0.30 0.00 0.54 -0.23 0.00 0.00 178.00 179.55 5hpg n ARG 69 N -4.48 1.63 -3.70 0.86 5.12 -1.26 -4.76 116.66 110.06 5hpg n ARG 69 Ca 0.03 -0.91 -0.22 0.00 -1.93 0.00 0.00 57.85 54.82 5hpg n ARG 69 Cb 0.11 -1.47 -0.18 0.00 -1.16 0.00 0.00 32.46 29.76 5hpg n ARG 69 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 5hpg s LYS 70 N -1.97 0.23 0.10 5.56 2.20 -0.85 -5.03 119.74 119.97 5hpg s LYS 70 Ca 0.38 0.19 -0.19 0.00 -0.36 0.00 0.00 55.97 55.98 5hpg s LYS 70 Cb 0.21 -0.91 -0.08 0.00 -1.51 0.00 0.00 37.83 35.54 5hpg s LYS 70 CO 0.33 -0.37 1.64 1.25 -0.36 0.00 0.00 175.35 177.83 5hpg h LEU 71 N 8.39 0.32 -7.95 5.43 5.85 -1.86 -3.37 115.31 122.11 5hpg h LEU 71 Ca -0.15 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 5hpg h LEU 71 Cb 1.12 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.97 5hpg h LEU 71 CO 0.22 0.40 -0.10 -0.72 -0.34 0.00 0.00 178.44 177.89 5hpg s TYR 72 N -5.54 0.15 0.01 1.25 -0.85 -1.26 -1.35 117.35 109.77 5hpg s TYR 72 Ca -0.14 -0.51 -0.28 0.00 -0.52 0.00 0.00 57.07 55.62 5hpg s TYR 72 Cb 0.08 0.22 0.10 0.00 0.38 0.00 0.00 41.96 42.74 5hpg s TYR 72 CO 0.72 -0.89 0.93 0.34 -1.52 0.00 0.00 175.55 175.12 5hpg s ASP 73 N -2.94 -0.31 0.60 -0.18 -1.08 -0.32 -4.84 116.67 107.61 5hpg s ASP 73 Ca 0.15 -0.08 -0.15 0.00 -0.52 0.00 0.00 52.55 51.95 5hpg s ASP 73 Cb 0.00 0.39 -0.03 0.00 -1.46 0.00 0.00 42.92 41.81 5hpg s ASP 73 CO 0.01 -0.64 1.06 -0.31 0.52 0.00 0.00 175.17 175.80 5hpg s TYR 74 N -3.10 3.01 0.22 -5.34 2.02 -1.26 -0.84 117.35 112.07 5hpg s TYR 74 Ca 0.07 1.50 0.08 0.00 -0.37 0.00 0.00 57.07 58.35 5hpg s TYR 74 Cb -0.01 -2.99 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 5hpg s TYR 74 CO -0.07 -1.11 0.05 0.00 -1.57 0.00 0.00 175.55 172.86 5hpg s ASP 76 N -3.41 6.53 -0.28 0.00 -1.08 -1.26 -4.65 116.67 112.53 5hpg s ASP 76 Ca 0.30 -2.14 -0.05 0.00 -0.52 0.00 0.00 52.55 50.14 5hpg s ASP 76 Cb -0.08 -2.28 0.01 0.00 -1.46 0.00 0.00 42.92 39.11 5hpg s ASP 76 CO 0.21 -0.85 0.03 -0.69 0.52 0.00 0.00 175.17 174.39 5hpg s VAL 77 N 1.54 3.63 0.65 1.11 1.01 -1.26 -5.08 120.40 121.99 5hpg s VAL 77 Ca 0.18 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 5hpg s VAL 77 Cb -0.14 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 5hpg s VAL 77 CO -0.04 0.14 1.15 -2.16 0.00 0.00 0.00 175.10 174.18 5hpg s PRO 78 N 1.45 2.77 0.08 2.72 0.04 -1.26 -4.68 135.00 136.12 5hpg s PRO 78 Ca 0.02 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.31 5hpg s PRO 78 Cb -0.17 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 5hpg s PRO 78 CO 0.00 -1.30 1.35 -1.14 0.04 0.00 0.00 177.00 175.95 5hpg s GLN 79 N -3.82 4.33 0.23 4.56 2.00 -1.26 -0.04 119.66 125.67 5hpg s GLN 79 Ca 0.71 1.99 -0.31 0.00 -2.00 0.00 0.00 55.36 55.75 5hpg s GLN 79 Cb -0.24 -3.34 -0.14 0.00 0.80 0.00 0.00 33.01 30.09 5hpg s GLN 79 CO 0.39 -0.43 1.33 0.00 -0.50 0.00 0.00 175.29 176.08 5hpg n ALA 81 N 1.66 -0.11 -1.77 0.00 0.00 -1.26 -4.90 120.51 114.13 5hpg n ALA 81 Ca 0.12 0.39 -0.40 0.00 0.00 0.00 0.00 53.44 53.55 5hpg n ALA 81 Cb 0.30 -2.04 -0.00 0.00 0.00 0.00 0.00 19.45 17.70 5hpg n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5hpg s ALA 82 N -0.99 3.37 -1.93 0.00 0.00 -1.26 -5.20 121.76 115.75 5hpg s ALA 82 Ca 0.59 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.89 5hpg s ALA 82 Cb -0.70 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 18.90 5hpg s ALA 82 CO 0.59 -0.88 0.48 -0.35 0.00 0.00 0.00 175.76 175.61