#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpe s GLN 2 N 0.00 1.24 -0.26 0.54 0.74 -1.26 -5.12 119.66 115.54 2hpe s GLN 2 Ca 0.00 -0.22 -0.14 0.00 0.05 0.00 0.00 55.36 55.05 2hpe s GLN 2 Cb 0.00 -1.17 -0.04 0.00 1.10 0.00 0.00 33.01 32.90 2hpe s GLN 2 CO 0.00 -0.08 0.31 -0.06 -0.55 0.00 0.00 175.29 174.90 2hpe s PHE 3 N 1.01 3.27 -0.07 1.67 0.40 -1.26 -5.03 117.98 117.97 2hpe s PHE 3 Ca -0.09 0.35 0.13 0.00 -0.60 0.00 0.00 56.93 56.73 2hpe s PHE 3 Cb -0.14 -2.48 -0.09 0.00 0.51 0.00 0.00 43.02 40.82 2hpe s PHE 3 CO -0.00 -0.14 1.14 0.77 0.70 0.00 0.00 175.22 177.69 2hpe h SER 4 N 7.99 0.00 0.00 1.36 0.02 -2.00 -3.48 113.55 117.45 2hpe h SER 4 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2hpe h SER 4 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2hpe h SER 4 CO 0.64 0.70 0.00 0.18 -1.14 0.00 0.00 176.83 177.20 2hpe n LEU 5 N -3.14 0.00 0.14 5.07 4.77 -1.26 -4.88 117.00 117.70 2hpe n LEU 5 Ca -0.04 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.95 2hpe n LEU 5 Cb 0.85 -0.47 0.13 0.00 -2.33 0.00 0.00 43.42 41.59 2hpe n LEU 5 CO 0.43 0.00 0.47 -0.50 -1.33 0.00 0.00 177.39 176.46 2hpe h TRP 6 N 0.00 0.00 -3.39 -1.77 4.06 -2.04 -3.42 115.95 109.38 2hpe h TRP 6 Ca 0.00 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.47 2hpe h TRP 6 Cb 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 27.98 2hpe h TRP 6 CO 0.00 0.60 -0.77 0.15 -3.56 0.00 0.00 178.44 174.85 2hpe s LYS 7 N -3.25 1.18 0.25 0.49 -0.14 -1.26 -5.12 119.74 111.89 2hpe s LYS 7 Ca 0.01 -1.35 -0.30 0.00 -1.36 0.00 0.00 55.97 52.97 2hpe s LYS 7 Cb 0.10 -1.15 -0.14 0.00 -1.68 0.00 0.00 37.83 34.96 2hpe s LYS 7 CO 0.75 0.23 1.10 0.54 -0.76 0.00 0.00 175.35 177.20 2hpe n ARG 8 N 0.35 1.40 -2.37 1.68 1.74 -1.26 -4.89 116.66 113.31 2hpe n ARG 8 Ca -0.14 0.49 -0.36 0.00 -0.77 0.00 0.00 57.85 57.08 2hpe n ARG 8 Cb 0.57 -1.93 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 2hpe n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2hpe s PRO 9 N -1.13 3.25 -0.22 5.56 0.04 -1.26 -4.95 135.00 136.29 2hpe s PRO 9 Ca 0.63 -1.06 -0.02 0.00 0.04 0.00 0.00 61.00 60.59 2hpe s PRO 9 Cb -0.73 -5.30 0.01 0.00 0.04 0.00 0.00 34.50 28.52 2hpe s PRO 9 CO 0.57 -2.75 -0.09 0.08 0.04 0.00 0.00 177.00 174.86 2hpe s VAL 10 N 6.94 2.90 0.32 -0.36 1.01 -1.26 -1.13 120.40 128.82 2hpe s VAL 10 Ca 0.57 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.87 2hpe s VAL 10 Cb -0.01 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 2hpe s VAL 10 CO -0.01 0.38 -0.08 0.68 0.00 0.00 0.00 175.10 176.06 2hpe s VAL 11 N 1.39 2.03 -0.23 2.92 -7.23 -0.63 -4.94 120.40 113.70 2hpe s VAL 11 Ca 0.04 -2.18 -0.16 0.00 -1.81 0.00 0.00 61.98 57.87 2hpe s VAL 11 Cb -0.15 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2hpe s VAL 11 CO -0.06 -0.24 0.41 -0.89 -0.31 0.00 0.00 175.10 174.01 2hpe s THR 12 N -2.75 5.17 0.20 5.32 2.01 -1.26 -0.23 115.64 124.09 2hpe s THR 12 Ca 0.31 0.70 0.09 0.00 0.31 0.00 0.00 61.69 63.10 2hpe s THR 12 Cb 0.03 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2hpe s THR 12 CO 0.15 0.19 -0.07 0.00 -0.69 0.00 0.00 174.62 174.19 2hpe s ALA 13 N 1.73 3.00 -0.10 7.40 0.00 0.15 -4.47 121.76 129.45 2hpe s ALA 13 Ca 0.18 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 50.66 2hpe s ALA 13 Cb -0.15 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 2hpe s ALA 13 CO 0.09 0.43 -0.16 0.71 0.00 0.00 0.00 175.76 176.83 2hpe s TYR 14 N -1.83 2.73 -0.42 0.00 1.51 -0.13 -1.60 117.35 117.61 2hpe s TYR 14 Ca 0.26 -0.60 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2hpe s TYR 14 Cb -0.08 -1.76 0.11 0.00 -0.11 0.00 0.00 41.96 40.12 2hpe s TYR 14 CO 0.16 -0.16 0.14 0.42 -1.11 0.00 0.00 175.55 175.00 2hpe s ILE 15 N 0.09 2.44 -0.90 2.71 1.01 -0.35 -1.38 121.20 124.83 2hpe s ILE 15 Ca -0.07 -2.75 -0.02 0.00 0.00 0.00 0.00 60.65 57.81 2hpe s ILE 15 Cb -0.15 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.57 2hpe s ILE 15 CO 0.05 -0.69 0.76 -0.62 0.00 0.00 0.00 174.94 174.44 2hpe n GLU 16 N 3.78 -5.07 0.00 2.79 -0.58 -0.73 -3.02 120.64 117.81 2hpe n GLU 16 Ca 0.04 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 2hpe n GLU 16 Cb 0.38 -4.91 0.00 0.00 -0.57 0.00 0.00 31.44 26.34 2hpe n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hpe n GLY 17 N -1.26 1.46 3.55 0.62 0.00 -1.26 -5.04 105.19 103.26 2hpe n GLY 17 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2hpe n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hpe s GLN 18 N -0.58 3.86 0.09 1.61 -0.21 -1.17 -5.01 119.66 118.26 2hpe s GLN 18 Ca 0.00 -0.38 -0.30 0.00 0.02 0.00 0.00 55.36 54.70 2hpe s GLN 18 Cb 0.00 -3.44 -0.06 0.00 1.00 0.00 0.00 33.01 30.52 2hpe s GLN 18 CO 0.00 -0.06 1.13 -1.25 -2.12 0.00 0.00 175.29 172.98 2hpe s PRO 19 N 1.35 4.51 0.02 2.91 0.04 -1.26 -1.20 135.00 141.36 2hpe s PRO 19 Ca 0.06 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 2hpe s PRO 19 Cb -0.15 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 2hpe s PRO 19 CO 0.05 -0.10 0.02 0.14 0.04 0.00 0.00 177.00 177.15 2hpe s VAL 20 N 0.59 0.11 -0.18 -0.36 -7.23 -0.63 -4.99 120.40 107.71 2hpe s VAL 20 Ca 0.54 -0.91 -0.18 0.00 -1.81 0.00 0.00 61.98 59.62 2hpe s VAL 20 Cb -0.28 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 2hpe s VAL 20 CO 0.31 -0.50 0.47 -1.61 -0.31 0.00 0.00 175.10 173.46 2hpe s GLU 21 N -1.64 4.22 0.03 4.82 0.41 -1.26 -0.68 118.70 124.61 2hpe s GLU 21 Ca -0.14 0.35 0.06 0.00 -0.41 0.00 0.00 54.97 54.83 2hpe s GLU 21 Cb -0.08 -3.52 -0.02 0.00 -1.78 0.00 0.00 34.13 28.73 2hpe s GLU 21 CO -0.01 -0.04 -0.17 0.14 -0.49 0.00 0.00 175.26 174.69 2hpe s VAL 22 N 1.28 1.39 -0.07 2.63 -7.23 0.68 -4.45 120.40 114.63 2hpe s VAL 22 Ca 0.23 -1.03 -0.26 0.00 -1.81 0.00 0.00 61.98 59.12 2hpe s VAL 22 Cb -0.15 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 2hpe s VAL 22 CO 0.09 0.16 0.81 -0.22 -0.31 0.00 0.00 175.10 175.64 2hpe s LEU 23 N -1.00 4.30 -0.37 1.32 2.96 0.51 -1.61 118.68 124.78 2hpe s LEU 23 Ca 0.05 1.32 -0.29 0.00 -0.22 0.00 0.00 54.13 54.99 2hpe s LEU 23 Cb -0.08 -3.26 0.02 0.00 0.50 0.00 0.00 46.19 43.37 2hpe s LEU 23 CO 0.01 -0.22 1.16 -0.76 -1.32 0.00 0.00 176.35 175.22 2hpe s LEU 24 N 1.17 3.80 -0.44 -0.68 1.43 -0.29 -1.62 118.68 122.05 2hpe s LEU 24 Ca 0.42 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.42 2hpe s LEU 24 Cb -0.18 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.61 2hpe s LEU 24 CO 0.20 -1.07 0.19 -0.62 0.23 0.00 0.00 176.35 175.27 2hpe s ASP 25 N 2.27 4.24 0.00 2.29 -1.08 0.04 -4.76 116.67 119.67 2hpe s ASP 25 Ca 0.49 -2.60 0.16 0.00 -0.52 0.00 0.00 52.55 50.09 2hpe s ASP 25 Cb -0.11 -1.43 0.89 0.00 -1.46 0.00 0.00 42.92 40.81 2hpe s ASP 25 CO 0.23 -0.29 1.44 0.35 0.52 0.00 0.00 175.17 177.42 2hpe n THR 26 N 3.63 0.32 -0.41 1.71 -2.24 -1.26 -2.71 114.28 113.33 2hpe n THR 26 Ca 0.05 0.08 0.06 0.00 -2.27 0.00 0.00 64.05 61.97 2hpe n THR 26 Cb 0.36 -0.82 0.16 0.00 -2.10 0.00 0.00 70.33 67.94 2hpe n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hpe n GLY 27 N 0.07 3.21 3.38 3.38 0.00 -1.26 -4.83 105.19 109.13 2hpe n GLY 27 Ca 0.10 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 2hpe n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpe s ALA 28 N -1.56 2.90 0.16 4.61 0.00 -1.10 -5.01 121.76 121.77 2hpe s ALA 28 Ca 0.26 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 2hpe s ALA 28 Cb 0.17 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.63 2hpe s ALA 28 CO 0.12 -0.28 1.74 -0.44 0.00 0.00 0.00 175.76 176.90 2hpe h ASP 29 N 7.78 0.70 -0.51 0.00 3.32 -1.89 0.79 116.42 126.61 2hpe h ASP 29 Ca -0.38 -0.14 -0.62 0.00 0.02 0.00 0.00 57.03 55.92 2hpe h ASP 29 Cb 1.17 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.46 2hpe h ASP 29 CO 0.60 0.64 -0.38 -1.81 -1.72 0.00 0.00 179.24 176.57 2hpe s ASP 30 N -5.94 4.46 -0.11 6.45 1.01 -1.26 -3.06 116.67 118.21 2hpe s ASP 30 Ca -0.13 -1.38 0.03 0.00 0.71 0.00 0.00 52.55 51.78 2hpe s ASP 30 Cb 0.12 0.44 0.01 0.00 1.01 0.00 0.00 42.92 44.50 2hpe s ASP 30 CO 0.77 -1.01 -0.22 -0.44 0.21 0.00 0.00 175.17 174.48 2hpe s SER 31 N -4.14 2.96 -0.07 0.27 0.01 -1.26 -2.06 113.70 109.41 2hpe s SER 31 Ca 0.24 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.97 2hpe s SER 31 Cb -0.01 -1.36 0.01 0.00 0.21 0.00 0.00 66.02 64.87 2hpe s SER 31 CO 0.15 0.11 -0.12 -0.63 0.41 0.00 0.00 173.24 173.16 2hpe s ILE 32 N 0.59 1.13 -0.03 1.44 1.01 -0.47 -1.63 121.20 123.23 2hpe s ILE 32 Ca -0.13 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.07 2hpe s ILE 32 Cb -0.17 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.27 2hpe s ILE 32 CO 0.04 0.35 -0.09 0.68 0.00 0.00 0.00 174.94 175.92 2hpe s VAL 33 N 0.69 0.83 0.29 2.92 -7.23 -0.91 -0.36 120.40 116.64 2hpe s VAL 33 Ca -0.14 -0.36 -0.02 0.00 -1.81 0.00 0.00 61.98 59.65 2hpe s VAL 33 Cb -0.16 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 2hpe s VAL 33 CO 0.03 0.27 0.52 0.00 -0.31 0.00 0.00 175.10 175.61 2hpe s ALA 34 N 0.34 3.69 -1.61 1.32 0.00 -1.19 -2.35 121.76 121.96 2hpe s ALA 34 Ca -0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 2hpe s ALA 34 Cb -0.10 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.84 2hpe s ALA 34 CO 0.01 0.18 0.43 0.41 0.00 0.00 0.00 175.76 176.79 2hpe n GLY 35 N -1.18 -0.52 3.61 0.00 0.00 -1.26 -5.00 105.19 100.83 2hpe n GLY 35 Ca -0.03 0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2hpe n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hpe s ILE 36 N -3.13 3.40 -0.09 -0.61 -1.09 -1.26 -5.13 121.20 113.30 2hpe s ILE 36 Ca 0.22 -1.57 0.02 0.00 -2.23 0.00 0.00 60.65 57.09 2hpe s ILE 36 Cb -0.10 -2.70 0.01 0.00 -1.58 0.00 0.00 42.46 38.10 2hpe s ILE 36 CO 0.27 -0.11 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.12 2hpe s GLU 37 N -2.89 1.94 0.00 2.79 2.02 -1.26 -4.98 118.70 116.32 2hpe s GLU 37 Ca 0.26 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.77 2hpe s GLU 37 Cb -0.09 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.50 2hpe s GLU 37 CO 0.17 -0.02 0.00 1.28 0.02 0.00 0.00 175.26 176.70 2hpe n LEU 38 N 4.04 0.00 0.00 1.80 4.77 -1.26 -5.13 117.00 121.22 2hpe n LEU 38 Ca -0.20 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 2hpe n LEU 38 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2hpe n LEU 38 CO 0.24 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2hpe n GLY 39 N 1.08 0.22 0.00 -0.72 0.00 -1.26 -4.73 105.19 99.78 2hpe n GLY 39 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2hpe n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hpe n ASN 40 N 0.00 0.14 -3.77 1.61 5.15 -1.26 -4.73 115.26 112.40 2hpe n ASN 40 Ca 0.00 -0.51 -0.42 0.00 -0.60 0.00 0.00 54.58 53.05 2hpe n ASN 40 Cb 0.00 0.67 0.00 0.00 -0.53 0.00 0.00 39.78 39.93 2hpe n ASN 40 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2hpe n ASN 41 N -0.67 4.25 -4.37 1.20 4.05 -1.26 -4.94 115.26 113.52 2hpe n ASN 41 Ca 0.00 -2.92 -0.22 0.00 0.45 0.00 0.00 54.58 51.89 2hpe n ASN 41 Cb 0.01 -1.61 -0.11 0.00 1.23 0.00 0.00 39.78 39.30 2hpe n ASN 41 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 2hpe s TYR 42 N 2.36 1.92 -0.03 1.20 -0.85 -1.26 -4.70 117.35 116.00 2hpe s TYR 42 Ca 0.45 -0.46 0.07 0.00 -0.52 0.00 0.00 57.07 56.61 2hpe s TYR 42 Cb 0.13 -0.92 -0.02 0.00 0.38 0.00 0.00 41.96 41.52 2hpe s TYR 42 CO -0.06 0.41 -0.23 -1.12 -1.52 0.00 0.00 175.55 173.03 2hpe s SER 43 N -2.92 3.32 0.13 -0.18 0.01 -0.63 -4.94 113.70 108.49 2hpe s SER 43 Ca 0.20 -0.40 -0.30 0.00 1.31 0.00 0.00 55.95 56.76 2hpe s SER 43 Cb -0.05 -0.52 -0.06 0.00 0.21 0.00 0.00 66.02 65.60 2hpe s SER 43 CO 0.08 0.32 1.06 -2.16 0.41 0.00 0.00 173.24 172.95 2hpe s PRO 44 N -0.60 4.61 0.22 12.44 0.04 -1.26 0.11 135.00 150.55 2hpe s PRO 44 Ca 0.09 1.62 0.10 0.00 0.04 0.00 0.00 61.00 62.85 2hpe s PRO 44 Cb -0.10 -3.33 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 2hpe s PRO 44 CO -0.00 0.07 -0.18 0.15 0.04 0.00 0.00 177.00 177.07 2hpe s LYS 45 N 0.02 1.45 -0.17 4.56 -0.14 0.13 -4.83 119.74 120.76 2hpe s LYS 45 Ca 0.50 -1.59 -0.03 0.00 -1.36 0.00 0.00 55.97 53.49 2hpe s LYS 45 Cb -0.27 -1.47 -0.02 0.00 -1.68 0.00 0.00 37.83 34.39 2hpe s LYS 45 CO 0.32 0.28 -0.06 0.42 -0.76 0.00 0.00 175.35 175.55 2hpe s ILE 46 N -2.41 3.51 -0.11 2.17 1.01 -1.26 0.15 121.20 124.26 2hpe s ILE 46 Ca 0.23 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.41 2hpe s ILE 46 Cb -0.04 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.91 2hpe s ILE 46 CO 0.10 0.48 -0.12 0.54 0.00 0.00 0.00 174.94 175.94 2hpe s VAL 47 N 0.69 1.26 0.16 2.92 0.11 -0.08 -4.96 120.40 120.50 2hpe s VAL 47 Ca -0.03 -0.47 -0.26 0.00 -2.93 0.00 0.00 61.98 58.28 2hpe s VAL 47 Cb -0.15 -1.20 -0.08 0.00 -1.53 0.00 0.00 36.38 33.43 2hpe s VAL 47 CO 0.02 0.40 0.80 -0.83 -3.33 0.00 0.00 175.10 172.16 2hpe s GLY 48 N 1.29 2.93 0.00 6.54 0.00 -1.26 -2.53 107.32 114.29 2hpe s GLY 48 Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.09 2hpe s GLY 48 CO -0.05 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.62 2hpe n GLY 49 N 1.71 5.73 0.09 0.20 0.00 0.58 -5.00 105.19 108.51 2hpe n GLY 49 Ca -0.04 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 2hpe n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hpe h ILE 50 N 0.00 0.89 0.00 -0.61 -0.00 -2.03 -3.34 117.51 112.43 2hpe h ILE 50 Ca 0.00 -2.70 0.00 0.00 -0.00 0.00 0.00 64.86 62.16 2hpe h ILE 50 Cb 0.00 2.49 0.00 0.00 -0.00 0.00 0.00 36.82 39.31 2hpe h ILE 50 CO 0.00 0.62 -1.26 0.61 -0.00 0.00 0.00 178.15 178.13 2hpe n GLY 51 N 1.63 -1.24 0.00 8.18 0.00 -1.26 -5.09 105.19 107.41 2hpe n GLY 51 Ca -0.18 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2hpe n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hpe n GLY 52 N 1.29 -0.58 3.40 -0.02 0.00 -1.25 -5.15 105.19 102.88 2hpe n GLY 52 Ca -0.00 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 2hpe n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hpe s PHE 53 N -2.97 2.35 0.07 1.61 0.40 -1.26 -0.30 117.98 117.87 2hpe s PHE 53 Ca 0.00 -0.36 0.10 0.00 -0.60 0.00 0.00 56.93 56.06 2hpe s PHE 53 Cb 0.00 -1.27 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 2hpe s PHE 53 CO 0.00 0.34 -0.25 0.96 0.70 0.00 0.00 175.22 176.97 2hpe s ILE 54 N -1.07 2.30 -0.14 0.64 -4.36 -1.05 -4.99 121.20 112.54 2hpe s ILE 54 Ca 0.15 -1.48 -0.21 0.00 -0.26 0.00 0.00 60.65 58.84 2hpe s ILE 54 Cb -0.10 -1.95 -0.03 0.00 1.25 0.00 0.00 42.46 41.62 2hpe s ILE 54 CO 0.07 0.26 0.63 0.20 0.24 0.00 0.00 174.94 176.34 2hpe s ASN 55 N -1.57 6.79 0.47 4.36 0.01 -1.26 -0.90 114.94 122.85 2hpe s ASN 55 Ca 0.13 0.96 0.03 0.00 -0.71 0.00 0.00 52.86 53.27 2hpe s ASN 55 Cb -0.10 -2.36 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 2hpe s ASN 55 CO 0.04 -0.18 0.02 0.42 -1.51 0.00 0.00 177.10 175.90 2hpe s THR 56 N 1.32 1.21 -0.18 1.60 -4.23 0.41 -4.75 115.64 111.02 2hpe s THR 56 Ca 0.31 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 2hpe s THR 56 Cb -0.16 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2hpe s THR 56 CO 0.13 0.00 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.31 2hpe s LEU 57 N -3.80 2.50 -0.06 4.79 1.43 -0.75 0.17 118.68 122.95 2hpe s LEU 57 Ca 0.14 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.59 2hpe s LEU 57 Cb 0.03 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 2hpe s LEU 57 CO 0.07 0.03 0.39 -0.70 0.23 0.00 0.00 176.35 176.37 2hpe s GLU 58 N 1.16 4.06 -0.06 1.70 2.12 0.30 -0.22 118.70 127.75 2hpe s GLU 58 Ca 0.01 0.33 0.05 0.00 0.36 0.00 0.00 54.97 55.72 2hpe s GLU 58 Cb -0.14 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 30.94 2hpe s GLU 58 CO -0.05 0.49 -0.20 0.71 -0.54 0.00 0.00 175.26 175.66 2hpe s TYR 59 N -0.38 2.06 0.04 5.30 1.51 0.46 -1.61 117.35 124.73 2hpe s TYR 59 Ca 0.22 -0.67 -0.09 0.00 -1.01 0.00 0.00 57.07 55.53 2hpe s TYR 59 Cb -0.15 -1.38 -0.05 0.00 -0.11 0.00 0.00 41.96 40.26 2hpe s TYR 59 CO 0.10 -0.24 0.34 0.15 -1.11 0.00 0.00 175.55 174.79 2hpe s LYS 60 N 0.10 3.69 -0.68 -0.62 -0.14 -1.26 -1.31 119.74 119.51 2hpe s LYS 60 Ca -0.08 0.08 -0.01 0.00 -1.36 0.00 0.00 55.97 54.61 2hpe s LYS 60 Cb -0.14 -3.05 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 2hpe s LYS 60 CO 0.04 0.61 0.12 -1.71 -0.76 0.00 0.00 175.35 173.65 2hpe n ASN 61 N 1.08 -3.19 -4.76 2.83 5.15 -1.14 -4.92 115.26 110.32 2hpe n ASN 61 Ca -0.10 -0.06 -0.40 0.00 -0.60 0.00 0.00 54.58 53.43 2hpe n ASN 61 Cb 0.53 -2.30 -0.04 0.00 -0.53 0.00 0.00 39.78 37.43 2hpe n ASN 61 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2hpe s VAL 62 N -2.59 3.49 -0.15 3.44 1.01 0.50 -4.71 120.40 121.39 2hpe s VAL 62 Ca 0.06 1.42 -0.25 0.00 0.00 0.00 0.00 61.98 63.22 2hpe s VAL 62 Cb -0.03 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2hpe s VAL 62 CO 0.07 0.28 0.79 -0.70 0.00 0.00 0.00 175.10 175.55 2hpe s GLU 63 N -1.67 4.32 -0.03 2.72 2.12 -1.26 -1.72 118.70 123.18 2hpe s GLU 63 Ca 0.47 0.96 0.03 0.00 0.36 0.00 0.00 54.97 56.79 2hpe s GLU 63 Cb -0.30 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.54 2hpe s GLU 63 CO 0.39 -0.24 -0.11 0.42 -0.54 0.00 0.00 175.26 175.18 2hpe s ILE 64 N 1.85 0.93 -0.24 -3.70 1.01 0.48 -1.78 121.20 119.76 2hpe s ILE 64 Ca 0.37 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 2hpe s ILE 64 Cb -0.17 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 2hpe s ILE 64 CO 0.14 0.28 -0.01 -0.70 0.00 0.00 0.00 174.94 174.65 2hpe s GLU 65 N 0.16 3.30 -0.17 2.79 2.12 -0.48 0.16 118.70 126.58 2hpe s GLU 65 Ca -0.03 -0.69 -0.14 0.00 0.36 0.00 0.00 54.97 54.46 2hpe s GLU 65 Cb -0.09 -3.11 0.05 0.00 0.26 0.00 0.00 34.13 31.23 2hpe s GLU 65 CO 0.01 -0.27 0.44 0.54 -0.54 0.00 0.00 175.26 175.44 2hpe s VAL 66 N 1.48 -0.00 -1.62 3.70 0.11 -0.88 -0.96 120.40 122.24 2hpe s VAL 66 Ca 0.05 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.09 2hpe s VAL 66 Cb -0.15 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 2hpe s VAL 66 CO -0.02 0.01 0.18 0.18 -3.33 0.00 0.00 175.10 172.12 2hpe n LEU 67 N 3.06 -2.02 -0.62 2.54 4.77 -1.26 -2.57 117.00 120.90 2hpe n LEU 67 Ca -0.15 -0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 55.70 2hpe n LEU 67 Cb 0.57 -2.82 -0.00 0.00 -2.33 0.00 0.00 43.42 38.83 2hpe n LEU 67 CO 0.11 -0.08 -0.07 0.59 -1.33 0.00 0.00 177.39 176.62 2hpe n ASN 68 N -2.13 -2.43 -4.27 -1.43 3.02 -1.26 -5.03 115.26 101.73 2hpe n ASN 68 Ca -0.19 0.01 -0.15 0.00 -0.03 0.00 0.00 54.58 54.22 2hpe n ASN 68 Cb 0.66 -1.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.04 2hpe n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2hpe s LYS 69 N -4.13 1.11 -0.04 3.52 1.02 -1.06 -5.15 119.74 115.01 2hpe s LYS 69 Ca 0.00 -1.48 0.03 0.00 0.02 0.00 0.00 55.97 54.53 2hpe s LYS 69 Cb 0.00 -0.71 0.01 0.00 -0.52 0.00 0.00 37.83 36.60 2hpe s LYS 69 CO 0.00 0.09 -0.10 0.21 -0.92 0.00 0.00 175.35 174.63 2hpe s LYS 70 N -3.73 1.24 0.04 1.68 2.20 -1.26 -2.06 119.74 117.85 2hpe s LYS 70 Ca 0.18 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.45 2hpe s LYS 70 Cb 0.02 -1.11 -0.03 0.00 -1.51 0.00 0.00 37.83 35.21 2hpe s LYS 70 CO 0.02 0.09 -0.06 0.14 -0.36 0.00 0.00 175.35 175.18 2hpe s VAL 71 N 0.36 0.40 -0.26 4.02 -7.23 0.12 -5.00 120.40 112.81 2hpe s VAL 71 Ca -0.07 -1.20 -0.09 0.00 -1.81 0.00 0.00 61.98 58.82 2hpe s VAL 71 Cb -0.11 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 2hpe s VAL 71 CO 0.01 -0.53 0.12 -0.13 -0.31 0.00 0.00 175.10 174.26 2hpe s ARG 72 N -2.02 3.78 0.19 4.82 0.52 -1.26 0.18 118.95 125.16 2hpe s ARG 72 Ca -0.08 -0.41 -0.01 0.00 -0.52 0.00 0.00 55.73 54.72 2hpe s ARG 72 Cb -0.07 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 2hpe s ARG 72 CO -0.02 -0.17 0.10 0.00 0.02 0.00 0.00 175.30 175.23 2hpe s ALA 73 N 1.64 1.18 -0.12 2.13 0.00 -0.70 -4.82 121.76 121.07 2hpe s ALA 73 Ca 0.07 -1.66 -0.22 0.00 0.00 0.00 0.00 51.96 50.15 2hpe s ALA 73 Cb -0.15 1.16 -0.03 0.00 0.00 0.00 0.00 23.12 24.10 2hpe s ALA 73 CO 0.06 -0.53 0.64 0.99 0.00 0.00 0.00 175.76 176.92 2hpe s THR 74 N -4.05 5.06 -0.05 0.00 2.01 -1.26 -0.37 115.64 116.99 2hpe s THR 74 Ca 0.34 1.27 0.05 0.00 0.31 0.00 0.00 61.69 63.66 2hpe s THR 74 Cb 0.07 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 2hpe s THR 74 CO 0.09 0.22 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.42 2hpe s ILE 75 N 1.12 1.64 -0.03 1.82 -1.09 -0.43 -4.65 121.20 119.57 2hpe s ILE 75 Ca 0.33 -0.84 -0.02 0.00 -2.23 0.00 0.00 60.65 57.89 2hpe s ILE 75 Cb -0.17 -1.40 -0.04 0.00 -1.58 0.00 0.00 42.46 39.28 2hpe s ILE 75 CO 0.14 0.47 0.08 -0.04 -1.23 0.00 0.00 174.94 174.36 2hpe s MET 76 N -0.03 3.13 -0.04 2.79 -1.94 -0.65 -0.40 119.30 122.16 2hpe s MET 76 Ca -0.04 -0.41 0.04 0.00 -1.71 0.00 0.00 55.69 53.57 2hpe s MET 76 Cb -0.12 -2.91 -0.03 0.00 2.01 0.00 0.00 34.83 33.78 2hpe s MET 76 CO 0.03 0.68 -0.16 -0.08 -0.01 0.00 0.00 175.02 175.48 2hpe s THR 77 N -1.13 2.96 -3.09 2.05 -1.32 0.69 -2.14 115.64 113.66 2hpe s THR 77 Ca 0.20 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.89 2hpe s THR 77 Cb -0.12 -2.16 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 2hpe s THR 77 CO 0.11 0.57 0.00 0.61 -2.21 0.00 0.00 174.62 173.70 2hpe n GLY 78 N 2.25 -1.63 3.57 6.08 0.00 -0.99 -1.81 105.19 112.66 2hpe n GLY 78 Ca -0.17 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 2hpe n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hpe s ASP 79 N -2.67 6.83 -0.03 1.61 2.15 -1.26 -3.16 116.67 120.13 2hpe s ASP 79 Ca 0.00 -2.41 0.07 0.00 0.43 0.00 0.00 52.55 50.65 2hpe s ASP 79 Cb 0.00 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.04 2hpe s ASP 79 CO 0.00 -1.17 -0.25 0.28 -0.17 0.00 0.00 175.17 173.86 2hpe s THR 80 N 4.09 2.02 0.28 1.71 -1.32 -1.26 -5.01 115.64 116.15 2hpe s THR 80 Ca 0.52 -1.08 -0.02 0.00 -1.21 0.00 0.00 61.69 59.90 2hpe s THR 80 Cb 0.03 -1.69 0.27 0.00 -1.51 0.00 0.00 72.50 69.60 2hpe s THR 80 CO 0.06 0.57 1.92 1.55 -2.21 0.00 0.00 174.62 176.51 2hpe h PRO 81 N 5.69 1.15 -5.14 7.08 0.13 -1.99 -3.43 132.00 135.49 2hpe h PRO 81 Ca -0.39 -0.07 -0.37 0.00 -0.87 0.00 0.00 66.00 64.30 2hpe h PRO 81 Cb 1.14 -0.26 -0.20 0.00 0.13 0.00 0.00 31.00 31.81 2hpe h PRO 81 CO 0.47 0.76 -0.76 -1.50 -0.23 0.00 0.00 178.00 176.74 2hpe s ILE 82 N -6.00 1.02 0.02 -3.56 1.10 -1.26 -5.08 121.20 107.43 2hpe s ILE 82 Ca -0.12 -1.44 -0.22 0.00 -0.51 0.00 0.00 60.65 58.36 2hpe s ILE 82 Cb 0.19 -1.17 -0.05 0.00 0.15 0.00 0.00 42.46 41.57 2hpe s ILE 82 CO 0.81 -0.38 0.65 0.20 -2.11 0.00 0.00 174.94 174.11 2hpe s ASN 83 N -2.05 7.06 -0.11 4.50 0.01 -1.26 -4.85 114.94 118.24 2hpe s ASN 83 Ca 0.01 1.26 0.03 0.00 -0.71 0.00 0.00 52.86 53.45 2hpe s ASN 83 Cb -0.07 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.19 2hpe s ASN 83 CO 0.01 0.08 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.83 2hpe s ILE 84 N -0.20 2.13 -0.34 0.60 -1.09 0.52 -0.36 121.20 122.46 2hpe s ILE 84 Ca 0.33 -0.98 -0.14 0.00 -2.23 0.00 0.00 60.65 57.63 2hpe s ILE 84 Cb -0.19 -1.83 -0.01 0.00 -1.58 0.00 0.00 42.46 38.85 2hpe s ILE 84 CO 0.19 0.55 0.31 -0.36 -1.23 0.00 0.00 174.94 174.40 2hpe s PHE 85 N 0.48 3.22 0.00 3.97 0.40 -0.64 -1.37 117.98 124.04 2hpe s PHE 85 Ca -0.15 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 2hpe s PHE 85 Cb -0.17 -2.59 0.00 0.00 0.51 0.00 0.00 43.02 40.77 2hpe s PHE 85 CO 0.06 -0.41 0.00 0.41 0.70 0.00 0.00 175.22 175.98 2hpe n GLY 86 N 5.03 0.51 0.36 4.36 0.00 -0.88 -0.78 105.19 113.79 2hpe n GLY 86 Ca -0.11 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 43.98 2hpe n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hpe h ARG 87 N 0.00 1.20 -1.11 1.61 3.08 -0.93 -1.45 114.38 116.78 2hpe h ARG 87 Ca 0.00 -0.13 0.32 0.00 0.07 0.00 0.00 59.98 60.25 2hpe h ARG 87 Cb 0.00 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.76 2hpe h ARG 87 CO 0.00 0.86 0.87 -2.95 -1.07 0.00 0.00 179.97 177.68 2hpe h ASN 88 N 1.21 0.00 0.05 7.04 -1.07 -1.80 -2.42 115.58 118.59 2hpe h ASN 88 Ca 0.31 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 56.30 2hpe h ASN 88 Cb -0.00 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.19 2hpe h ASN 88 CO -0.05 0.00 -2.33 -0.38 0.07 0.00 0.00 177.43 174.73 2hpe n ILE 89 N -4.01 1.53 0.01 6.14 5.41 -0.72 -3.57 119.36 124.15 2hpe n ILE 89 Ca 0.24 -0.65 -0.12 0.00 1.00 0.00 0.00 62.75 63.22 2hpe n ILE 89 Cb 1.23 -1.27 -0.06 0.00 -0.71 0.00 0.00 39.64 38.83 2hpe n ILE 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2hpe h LEU 90 N 0.01 0.07 -1.32 1.39 3.38 -1.18 -1.62 115.31 116.04 2hpe h LEU 90 Ca -0.53 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 2hpe h LEU 90 Cb 2.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 2hpe h LEU 90 CO -0.03 0.10 -0.32 0.71 0.09 0.00 0.00 178.44 178.99 2hpe h THR 91 N 0.04 1.24 -0.77 0.22 1.35 -1.61 -1.31 112.91 112.06 2hpe h THR 91 Ca 0.02 -1.12 -0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2hpe h THR 91 Cb 0.04 1.58 -0.04 0.00 -1.73 0.00 0.00 68.15 68.01 2hpe h THR 91 CO -0.00 0.32 0.48 0.00 -0.25 0.00 0.00 175.52 176.07 2hpe h ALA 92 N 1.65 0.98 0.00 6.62 0.00 -1.57 -2.97 119.26 123.97 2hpe h ALA 92 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2hpe h ALA 92 Cb 0.58 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2hpe h ALA 92 CO 0.04 0.43 -0.65 -0.07 0.00 0.00 0.00 179.25 179.00 2hpe h LEU 93 N 1.05 0.00 -0.07 0.00 3.38 -1.04 -3.48 115.31 115.14 2hpe h LEU 93 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2hpe h LEU 93 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2hpe h LEU 93 CO -0.05 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.73 2hpe n GLY 94 N 0.67 1.38 3.89 0.83 0.00 -0.64 -5.08 105.19 106.23 2hpe n GLY 94 Ca -0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2hpe n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hpe s MET 95 N -1.83 3.72 0.04 1.61 -1.94 -0.59 -5.00 119.30 115.30 2hpe s MET 95 Ca 0.00 0.22 0.00 0.00 -1.71 0.00 0.00 55.69 54.21 2hpe s MET 95 Cb 0.00 -2.55 -0.03 0.00 2.01 0.00 0.00 34.83 34.27 2hpe s MET 95 CO 0.00 0.13 -0.04 -1.54 -0.01 0.00 0.00 175.02 173.56 2hpe s SER 96 N -3.04 0.47 -0.23 3.03 1.04 -1.26 -4.66 113.70 109.05 2hpe s SER 96 Ca 0.47 -0.66 -0.17 0.00 0.48 0.00 0.00 55.95 56.07 2hpe s SER 96 Cb -0.11 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 2hpe s SER 96 CO 0.29 -0.37 0.44 -0.22 0.98 0.00 0.00 173.24 174.36 2hpe s LEU 97 N -1.94 4.11 0.11 2.42 2.96 -1.26 -5.09 118.68 119.98 2hpe s LEU 97 Ca -0.07 0.50 0.10 0.00 -0.22 0.00 0.00 54.13 54.44 2hpe s LEU 97 Cb -0.05 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 2hpe s LEU 97 CO -0.03 -0.16 -0.25 0.20 -1.32 0.00 0.00 176.35 174.79 2hpe s ASN 98 N 1.29 3.44 0.00 3.68 -0.87 -1.26 -5.30 114.94 115.92 2hpe s ASN 98 Ca 0.20 -0.67 0.00 0.00 -1.57 0.00 0.00 52.86 50.81 2hpe s ASN 98 Cb -0.15 -0.31 0.00 0.00 -0.02 0.00 0.00 41.25 40.76 2hpe s ASN 98 CO 0.09 0.19 0.33 -0.11 -2.57 0.00 0.00 177.10 175.04