#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 1.22 -0.17 0.54 0.74 -1.26 -5.11 119.66 115.62 2hpe s GLN 2 Ca 0.00 -0.39 -0.03 0.00 0.05 0.00 0.00 55.36 55.00 2hpe s GLN 2 Cb 0.00 -1.10 -0.02 0.00 1.10 0.00 0.00 33.01 32.99 2hpe s GLN 2 CO 0.00 0.14 -0.07 -0.06 -0.55 0.00 0.00 175.29 174.75 2hpe s PHE 3 N 0.20 2.93 -0.81 1.67 0.40 -1.26 -5.00 117.98 116.12 2hpe s PHE 3 Ca -0.04 -0.66 0.19 0.00 -0.60 0.00 0.00 56.93 55.82 2hpe s PHE 3 Cb -0.10 -1.98 -0.22 0.00 0.51 0.00 0.00 43.02 41.22 2hpe s PHE 3 CO 0.01 -0.30 0.78 0.43 0.70 0.00 0.00 175.22 176.84 2hpe n SER 4 N 4.05 0.85 0.00 1.36 7.64 -1.26 -5.00 113.62 121.26 2hpe n SER 4 Ca -0.18 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 58.86 2hpe n SER 4 Cb 0.52 1.11 0.00 0.00 -1.01 0.00 0.00 64.21 64.83 2hpe n SER 4 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2hpe n LEU 5 N -1.55 0.00 -0.12 -3.43 4.77 -1.26 -4.83 117.00 110.57 2hpe n LEU 5 Ca 0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.00 2hpe n LEU 5 Cb 0.33 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.67 2hpe n LEU 5 CO 0.40 0.00 1.06 -0.50 -1.33 0.00 0.00 177.39 177.02 2hpe h TRP 6 N 0.00 0.80 -2.34 -1.77 4.06 -2.04 -3.42 115.95 111.24 2hpe h TRP 6 Ca 0.00 -0.04 -0.57 0.00 2.06 0.00 0.00 58.89 60.34 2hpe h TRP 6 Cb 0.00 -0.25 -0.10 0.00 -1.00 0.00 0.00 29.16 27.81 2hpe h TRP 6 CO 0.00 0.62 -0.66 0.15 -3.56 0.00 0.00 178.44 174.99 2hpe s LYS 7 N -5.38 2.26 0.43 0.49 1.02 -1.26 -5.11 119.74 112.18 2hpe s LYS 7 Ca -0.10 -1.39 -0.25 0.00 0.02 0.00 0.00 55.97 54.26 2hpe s LYS 7 Cb 0.16 -2.17 -0.10 0.00 -0.52 0.00 0.00 37.83 35.21 2hpe s LYS 7 CO 0.78 0.38 1.15 0.54 -0.92 0.00 0.00 175.35 177.28 2hpe n ARG 8 N -0.73 1.63 -2.41 1.68 1.74 -1.26 -4.85 116.66 112.46 2hpe n ARG 8 Ca -0.07 0.58 -0.43 0.00 -0.77 0.00 0.00 57.85 57.16 2hpe n ARG 8 Cb 0.58 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 2hpe n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2hpe n PRO 9 N -0.00 3.24 -3.99 5.56 -0.04 -1.26 -4.95 135.00 133.55 2hpe n PRO 9 Ca 0.08 -3.30 -0.35 0.00 -0.04 0.00 0.00 63.50 59.90 2hpe n PRO 9 Cb 0.40 -3.22 -0.10 0.00 -0.04 0.00 0.00 33.50 30.53 2hpe n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2hpe s VAL 10 N 2.57 4.71 0.24 0.52 1.01 -1.26 -0.58 120.40 127.61 2hpe s VAL 10 Ca 0.47 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.44 2hpe s VAL 10 Cb 0.06 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2hpe s VAL 10 CO 0.00 0.44 -0.04 0.68 0.00 0.00 0.00 175.10 176.19 2hpe s VAL 11 N 0.54 1.29 -0.09 2.92 -7.23 -0.60 -4.93 120.40 112.30 2hpe s VAL 11 Ca 0.03 -2.08 -0.13 0.00 -1.81 0.00 0.00 61.98 57.99 2hpe s VAL 11 Cb -0.13 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 2hpe s VAL 11 CO 0.01 -0.38 0.32 0.42 -0.31 0.00 0.00 175.10 175.16 2hpe s THR 12 N -3.25 5.23 0.27 5.32 -4.23 -1.26 0.51 115.64 118.23 2hpe s THR 12 Ca 0.27 0.62 0.12 0.00 -1.18 0.00 0.00 61.69 61.52 2hpe s THR 12 Cb 0.04 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.20 2hpe s THR 12 CO 0.09 0.50 -0.20 0.00 -0.54 0.00 0.00 174.62 174.46 2hpe s ALA 13 N -0.37 2.73 -0.23 3.99 0.00 0.92 -4.53 121.76 124.27 2hpe s ALA 13 Ca 0.19 -1.83 -0.06 0.00 0.00 0.00 0.00 51.96 50.26 2hpe s ALA 13 Cb -0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2hpe s ALA 13 CO 0.08 0.30 0.03 0.71 0.00 0.00 0.00 175.76 176.88 2hpe s TYR 14 N -2.37 3.05 -0.35 0.00 2.02 -0.68 -0.79 117.35 118.24 2hpe s TYR 14 Ca 0.29 -0.54 -0.04 0.00 -0.37 0.00 0.00 57.07 56.41 2hpe s TYR 14 Cb -0.06 -2.18 0.07 0.00 -0.40 0.00 0.00 41.96 39.39 2hpe s TYR 14 CO 0.14 -0.37 0.11 0.42 -1.57 0.00 0.00 175.55 174.28 2hpe s ILE 15 N 1.45 3.41 -1.33 2.71 1.01 0.73 -2.02 121.20 127.16 2hpe s ILE 15 Ca 0.05 -1.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.17 2hpe s ILE 15 Cb -0.15 -3.07 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 2hpe s ILE 15 CO 0.02 -0.33 0.57 -0.62 0.00 0.00 0.00 174.94 174.58 2hpe n GLU 16 N 4.70 -3.53 0.00 2.79 -0.58 0.24 -2.48 120.64 121.78 2hpe n GLU 16 Ca -0.10 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 2hpe n GLU 16 Cb 0.43 -4.70 0.00 0.00 -0.57 0.00 0.00 31.44 26.60 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 -1.79 3.03 3.72 0.62 0.00 -1.26 -5.03 105.19 104.48 2hpe n GLY 17 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.08 4.49 -0.15 1.61 -0.21 -1.04 -4.98 119.66 119.30 2hpe s GLN 18 Ca 0.00 1.08 -0.27 0.00 0.02 0.00 0.00 55.36 56.19 2hpe s GLN 18 Cb 0.00 -3.44 -0.01 0.00 1.00 0.00 0.00 33.01 30.56 2hpe s GLN 18 CO 0.00 0.06 0.92 -1.25 -2.12 0.00 0.00 175.29 172.89 2hpe s PRO 19 N 0.75 4.34 -0.01 2.91 0.04 -1.26 -0.19 135.00 141.57 2hpe s PRO 19 Ca 0.42 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.67 2hpe s PRO 19 Cb -0.19 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2hpe s PRO 19 CO 0.22 -0.36 -0.05 0.08 0.04 0.00 0.00 177.00 176.93 2hpe s VAL 20 N 2.23 0.43 -0.24 -0.36 1.01 0.03 -5.01 120.40 118.50 2hpe s VAL 20 Ca 0.42 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.00 2hpe s VAL 20 Cb -0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2hpe s VAL 20 CO 0.13 0.14 0.68 -0.70 0.00 0.00 0.00 175.10 175.36 2hpe s GLU 21 N 0.14 4.15 0.18 2.72 2.12 -1.26 -0.05 118.70 126.69 2hpe s GLU 21 Ca -0.01 0.67 0.07 0.00 0.36 0.00 0.00 54.97 56.06 2hpe s GLU 21 Cb -0.05 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 2hpe s GLU 21 CO -0.00 -0.40 -0.15 0.14 -0.54 0.00 0.00 175.26 174.30 2hpe s VAL 22 N 2.47 1.67 -0.18 3.70 -7.23 0.18 -4.56 120.40 116.44 2hpe s VAL 22 Ca 0.29 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.36 2hpe s VAL 22 Cb -0.16 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 2hpe s VAL 22 CO 0.09 -0.50 0.02 -0.22 -0.31 0.00 0.00 175.10 174.18 2hpe s LEU 23 N -2.99 3.50 -0.34 1.32 2.96 0.56 -1.56 118.68 122.12 2hpe s LEU 23 Ca 0.18 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 2hpe s LEU 23 Cb -0.03 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.79 2hpe s LEU 23 CO 0.06 0.13 1.30 -0.76 -1.32 0.00 0.00 176.35 175.76 2hpe s LEU 24 N 0.60 3.80 -0.32 -0.68 1.43 0.26 -1.51 118.68 122.25 2hpe s LEU 24 Ca 0.01 1.04 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 2hpe s LEU 24 Cb -0.14 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.64 2hpe s LEU 24 CO 0.02 -1.16 0.07 -0.62 0.23 0.00 0.00 176.35 174.88 2hpe s ASP 25 N 2.94 4.43 0.30 2.29 -1.08 -0.32 -4.80 116.67 120.43 2hpe s ASP 25 Ca 0.56 -1.90 0.25 0.00 -0.52 0.00 0.00 52.55 50.93 2hpe s ASP 25 Cb -0.15 -1.29 1.06 0.00 -1.46 0.00 0.00 42.92 41.08 2hpe s ASP 25 CO 0.25 -0.39 1.75 0.71 0.52 0.00 0.00 175.17 178.01 2hpe h THR 26 N 6.56 0.00 -0.48 1.71 1.35 -1.95 -2.57 112.91 117.54 2hpe h THR 26 Ca -0.09 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2hpe h THR 26 Cb 1.02 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2hpe h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 2hpe n GLY 27 N -0.12 1.24 3.25 5.82 0.00 -1.26 -4.78 105.19 109.34 2hpe n GLY 27 Ca 0.02 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.37 2.49 0.36 4.61 0.00 -0.97 -5.01 121.76 121.87 2hpe s ALA 28 Ca 0.32 -1.07 0.11 0.00 0.00 0.00 0.00 51.96 51.32 2hpe s ALA 28 Cb 0.17 -1.24 0.66 0.00 0.00 0.00 0.00 23.12 22.71 2hpe s ALA 28 CO 0.21 -0.09 1.80 -0.44 0.00 0.00 0.00 175.76 177.24 2hpe h ASP 29 N 7.43 0.05 -3.34 0.00 3.32 -1.87 -1.95 116.42 120.05 2hpe h ASP 29 Ca -0.35 -0.02 -0.46 0.00 0.02 0.00 0.00 57.03 56.22 2hpe h ASP 29 Cb 1.18 -0.01 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 2hpe h ASP 29 CO 0.58 0.42 -0.61 -1.81 -1.72 0.00 0.00 179.24 176.10 2hpe s ASP 30 N -6.92 2.29 -0.16 6.45 1.01 -1.26 -3.11 116.67 114.97 2hpe s ASP 30 Ca -0.03 -1.38 -0.03 0.00 0.71 0.00 0.00 52.55 51.82 2hpe s ASP 30 Cb 0.14 -0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.98 2hpe s ASP 30 CO 0.73 -0.61 -0.06 -0.44 0.21 0.00 0.00 175.17 175.00 2hpe s SER 31 N -3.47 4.53 -0.02 0.27 0.01 -1.26 -2.94 113.70 110.81 2hpe s SER 31 Ca 0.37 -0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.42 2hpe s SER 31 Cb 0.09 -1.73 0.02 0.00 0.21 0.00 0.00 66.02 64.60 2hpe s SER 31 CO 0.15 0.14 -0.01 -0.63 0.41 0.00 0.00 173.24 173.30 2hpe s ILE 32 N 0.53 0.25 -0.05 1.44 1.01 -0.64 -0.80 121.20 122.93 2hpe s ILE 32 Ca -0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 2hpe s ILE 32 Cb -0.15 -0.30 0.03 0.00 0.01 0.00 0.00 42.46 42.05 2hpe s ILE 32 CO 0.03 0.14 -0.00 -0.69 0.00 0.00 0.00 174.94 174.41 2hpe s VAL 33 N 0.70 0.28 0.07 2.92 1.01 0.27 -1.28 120.40 124.37 2hpe s VAL 33 Ca -0.07 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2hpe s VAL 33 Cb -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2hpe s VAL 33 CO -0.01 0.20 0.21 0.00 0.00 0.00 0.00 175.10 175.49 2hpe s ALA 34 N 1.37 3.97 -1.14 5.51 0.00 -1.25 -2.37 121.76 127.85 2hpe s ALA 34 Ca -0.05 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 2hpe s ALA 34 Cb -0.13 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 2hpe s ALA 34 CO -0.02 0.79 0.91 0.41 0.00 0.00 0.00 175.76 177.85 2hpe n GLY 35 N 0.21 -0.77 3.28 0.00 0.00 -1.26 -5.01 105.19 101.63 2hpe n GLY 35 Ca -0.05 0.36 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 2hpe n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hpe s ILE 36 N -3.42 0.03 -0.19 -0.61 -4.36 -1.26 -5.15 121.20 106.24 2hpe s ILE 36 Ca 0.25 -0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.36 2hpe s ILE 36 Cb -0.04 -0.63 0.02 0.00 1.25 0.00 0.00 42.46 43.05 2hpe s ILE 36 CO 0.76 -0.15 -0.17 -0.70 0.24 0.00 0.00 174.94 174.92 2hpe s GLU 37 N -0.83 3.05 0.00 0.37 2.56 -1.26 -4.97 118.70 117.61 2hpe s GLU 37 Ca -0.09 -0.80 0.18 0.00 0.00 0.00 0.00 54.97 54.26 2hpe s GLU 37 Cb -0.04 -2.67 0.02 0.00 2.00 0.00 0.00 34.13 33.44 2hpe s GLU 37 CO 0.04 -0.22 0.94 1.28 -0.56 0.00 0.00 175.26 176.74 2hpe n LEU 38 N 4.65 1.86 0.00 2.70 4.77 -1.26 -5.08 117.00 124.64 2hpe n LEU 38 Ca -0.20 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 2hpe n LEU 38 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2hpe n LEU 38 CO 0.26 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2hpe n GLY 39 N 1.20 0.47 0.41 -0.72 0.00 -1.26 -4.74 105.19 100.56 2hpe n GLY 39 Ca 0.08 -1.78 0.05 0.00 0.00 0.00 0.00 46.02 44.37 2hpe n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hpe n ASN 40 N 0.00 1.84 -4.21 1.61 3.02 -1.26 -4.74 115.26 111.52 2hpe n ASN 40 Ca 0.00 -1.42 -0.41 0.00 -0.03 0.00 0.00 54.58 52.73 2hpe n ASN 40 Cb 0.00 0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.16 2hpe n ASN 40 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2hpe s ASN 41 N -0.91 6.41 0.07 6.41 0.01 -1.26 -4.99 114.94 120.68 2hpe s ASN 41 Ca 0.12 -3.39 0.02 0.00 -0.71 0.00 0.00 52.86 48.90 2hpe s ASN 41 Cb 0.09 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 2hpe s ASN 41 CO 0.14 -0.31 -0.07 -0.72 -1.51 0.00 0.00 177.10 174.64 2hpe s TYR 42 N -0.89 0.76 -0.14 2.20 -0.85 -1.26 -4.62 117.35 112.56 2hpe s TYR 42 Ca 0.25 -0.76 0.01 0.00 -0.52 0.00 0.00 57.07 56.05 2hpe s TYR 42 Cb -0.10 -0.45 0.02 0.00 0.38 0.00 0.00 41.96 41.80 2hpe s TYR 42 CO -0.09 -0.14 -0.14 0.45 -1.52 0.00 0.00 175.55 174.10 2hpe s SER 43 N -2.44 2.63 0.43 -0.18 0.15 -0.89 -4.92 113.70 108.47 2hpe s SER 43 Ca 0.03 -0.47 -0.26 0.00 0.70 0.00 0.00 55.95 55.95 2hpe s SER 43 Cb -0.01 -1.15 -0.08 0.00 -1.71 0.00 0.00 66.02 63.07 2hpe s SER 43 CO -0.03 -0.05 1.38 -2.16 1.20 0.00 0.00 173.24 173.58 2hpe s PRO 44 N 1.42 3.80 0.06 5.44 0.04 -1.26 -0.12 135.00 144.38 2hpe s PRO 44 Ca 0.03 2.31 -0.01 0.00 0.04 0.00 0.00 61.00 63.37 2hpe s PRO 44 Cb -0.13 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2hpe s PRO 44 CO -0.09 -0.68 -0.01 0.15 0.04 0.00 0.00 177.00 176.40 2hpe s LYS 45 N -2.36 0.65 -0.10 4.56 -0.14 -0.05 -4.91 119.74 117.39 2hpe s LYS 45 Ca 0.59 -1.23 0.03 0.00 -1.36 0.00 0.00 55.97 54.00 2hpe s LYS 45 Cb -0.41 0.22 0.01 0.00 -1.68 0.00 0.00 37.83 35.96 2hpe s LYS 45 CO 0.53 -0.13 -0.20 0.42 -0.76 0.00 0.00 175.35 175.21 2hpe s ILE 46 N -3.93 1.80 0.13 2.17 1.01 -1.26 -0.83 121.20 120.30 2hpe s ILE 46 Ca 0.09 -0.86 0.11 0.00 0.00 0.00 0.00 60.65 59.98 2hpe s ILE 46 Cb 0.08 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 2hpe s ILE 46 CO -0.09 0.50 -0.24 0.68 0.00 0.00 0.00 174.94 175.79 2hpe s VAL 47 N 0.58 2.42 0.31 2.92 -7.23 0.39 -4.96 120.40 114.82 2hpe s VAL 47 Ca -0.14 -1.72 0.08 0.00 -1.81 0.00 0.00 61.98 58.39 2hpe s VAL 47 Cb -0.17 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 2hpe s VAL 47 CO 0.05 0.08 0.16 -0.83 -0.31 0.00 0.00 175.10 174.24 2hpe s GLY 48 N -2.13 1.75 0.00 2.32 0.00 -1.26 -1.26 107.32 106.74 2hpe s GLY 48 Ca 0.16 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.20 2hpe s GLY 48 CO 0.07 -1.65 0.00 0.61 0.00 0.00 0.00 173.10 172.13 2hpe n GLY 49 N -1.16 3.25 3.64 0.20 0.00 -0.58 -4.98 105.19 105.55 2hpe n GLY 49 Ca -0.04 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 2hpe n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hpe s ILE 50 N -2.57 3.05 0.00 -0.61 1.01 -1.26 -3.47 121.20 117.34 2hpe s ILE 50 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2hpe s ILE 50 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2hpe s ILE 50 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.53 2hpe n GLY 51 N 4.95 0.82 0.00 6.18 0.00 -1.26 -4.99 105.19 110.89 2hpe n GLY 51 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.82 0.32 3.34 -0.02 0.00 -1.23 -5.10 105.19 101.68 2hpe n GLY 52 Ca 0.00 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.00 2.13 0.06 1.61 0.08 -1.26 -1.53 117.98 118.06 2hpe s PHE 53 Ca 0.00 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.71 2hpe s PHE 53 Cb 0.00 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.24 2hpe s PHE 53 CO 0.00 0.25 -0.16 0.96 -0.10 0.00 0.00 175.22 176.18 2hpe s ILE 54 N -1.03 1.25 -0.20 0.64 -4.36 -0.39 -4.98 121.20 112.13 2hpe s ILE 54 Ca 0.11 -1.18 -0.24 0.00 -0.26 0.00 0.00 60.65 59.07 2hpe s ILE 54 Cb -0.10 -1.14 -0.01 0.00 1.25 0.00 0.00 42.46 42.46 2hpe s ILE 54 CO 0.05 -0.05 0.80 0.20 0.24 0.00 0.00 174.94 176.17 2hpe s ASN 55 N -1.43 6.87 0.48 4.36 0.02 -1.26 -0.46 114.94 123.52 2hpe s ASN 55 Ca 0.02 1.07 0.03 0.00 -1.02 0.00 0.00 52.86 52.96 2hpe s ASN 55 Cb -0.09 -2.43 -0.03 0.00 0.02 0.00 0.00 41.25 38.72 2hpe s ASN 55 CO 0.02 -0.42 0.02 0.42 0.02 0.00 0.00 177.10 177.15 2hpe s THR 56 N 2.36 1.42 -0.12 1.60 -4.23 -0.01 -4.56 115.64 112.10 2hpe s THR 56 Ca 0.36 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 2hpe s THR 56 Cb -0.16 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.29 2hpe s THR 56 CO 0.10 0.00 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.28 2hpe s LEU 57 N -3.84 1.65 -0.24 4.79 1.43 -1.06 -0.87 118.68 120.54 2hpe s LEU 57 Ca 0.15 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 2hpe s LEU 57 Cb 0.04 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 2hpe s LEU 57 CO 0.08 -0.03 0.35 -0.70 0.23 0.00 0.00 176.35 176.28 2hpe s GLU 58 N 1.25 4.09 -0.17 1.70 2.12 0.82 -2.08 118.70 126.43 2hpe s GLU 58 Ca -0.01 0.05 -0.03 0.00 0.36 0.00 0.00 54.97 55.34 2hpe s GLU 58 Cb -0.14 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 2hpe s GLU 58 CO -0.06 -0.12 -0.05 0.71 -0.54 0.00 0.00 175.26 175.20 2hpe s TYR 59 N 1.59 2.97 0.06 5.30 1.51 -0.66 -2.09 117.35 126.04 2hpe s TYR 59 Ca 0.15 -0.54 -0.11 0.00 -1.01 0.00 0.00 57.07 55.56 2hpe s TYR 59 Cb -0.15 -1.99 -0.06 0.00 -0.11 0.00 0.00 41.96 39.65 2hpe s TYR 59 CO 0.08 -0.23 0.41 0.15 -1.11 0.00 0.00 175.55 174.86 2hpe s LYS 60 N 0.74 3.81 -0.88 -0.62 1.02 -1.26 -1.51 119.74 121.05 2hpe s LYS 60 Ca -0.02 0.26 -0.01 0.00 0.02 0.00 0.00 55.97 56.22 2hpe s LYS 60 Cb -0.15 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2hpe s LYS 60 CO 0.02 0.59 0.74 -1.71 -0.92 0.00 0.00 175.35 174.07 2hpe n ASN 61 N 1.15 -2.53 -4.87 2.83 4.05 -1.17 -4.95 115.26 109.77 2hpe n ASN 61 Ca -0.09 -0.43 -0.33 0.00 0.45 0.00 0.00 54.58 54.17 2hpe n ASN 61 Cb 0.52 -3.80 -0.05 0.00 1.23 0.00 0.00 39.78 37.67 2hpe n ASN 61 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2hpe s VAL 62 N -3.25 4.99 -0.19 3.44 1.01 0.25 -4.72 120.40 121.93 2hpe s VAL 62 Ca 0.07 0.50 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 2hpe s VAL 62 Cb -0.03 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2hpe s VAL 62 CO 0.52 0.12 0.36 -0.70 0.00 0.00 0.00 175.10 175.40 2hpe s GLU 63 N -2.33 4.20 0.02 2.72 2.12 -1.26 -1.60 118.70 122.57 2hpe s GLU 63 Ca 0.40 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.92 2hpe s GLU 63 Cb -0.13 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 2hpe s GLU 63 CO 0.20 0.06 -0.11 0.42 -0.54 0.00 0.00 175.26 175.30 2hpe s ILE 64 N 1.00 0.82 -0.10 -3.70 1.01 -0.07 -0.59 121.20 119.57 2hpe s ILE 64 Ca 0.18 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.13 2hpe s ILE 64 Cb -0.14 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.61 2hpe s ILE 64 CO 0.07 0.04 -0.10 -0.70 0.00 0.00 0.00 174.94 174.25 2hpe s GLU 65 N -0.74 1.73 -0.07 2.79 2.12 -0.85 -1.04 118.70 122.62 2hpe s GLU 65 Ca 0.01 -0.36 -0.19 0.00 0.36 0.00 0.00 54.97 54.79 2hpe s GLU 65 Cb -0.06 -1.63 0.04 0.00 0.26 0.00 0.00 34.13 32.74 2hpe s GLU 65 CO 0.00 -0.17 0.44 0.54 -0.54 0.00 0.00 175.26 175.54 2hpe s VAL 66 N 1.34 0.03 -1.26 3.70 0.11 0.77 -1.68 120.40 123.41 2hpe s VAL 66 Ca -0.01 -0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 58.77 2hpe s VAL 66 Cb -0.14 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.03 2hpe s VAL 66 CO -0.05 -0.12 0.32 0.18 -3.33 0.00 0.00 175.10 172.10 2hpe n LEU 67 N 1.69 -1.61 -2.34 2.54 4.77 -1.26 0.62 117.00 121.40 2hpe n LEU 67 Ca -0.18 -0.15 -0.20 0.00 -0.03 0.00 0.00 56.01 55.45 2hpe n LEU 67 Cb 0.56 -2.30 -0.02 0.00 -2.33 0.00 0.00 43.42 39.34 2hpe n LEU 67 CO 0.19 0.06 -0.25 -3.20 -1.33 0.00 0.00 177.39 172.85 2hpe n ASN 68 N -2.15 -5.67 -4.44 -1.43 5.15 -1.26 -5.00 115.26 100.45 2hpe n ASN 68 Ca -0.09 0.04 -0.26 0.00 -0.60 0.00 0.00 54.58 53.68 2hpe n ASN 68 Cb 0.58 -4.75 -0.11 0.00 -0.53 0.00 0.00 39.78 34.97 2hpe n ASN 68 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2hpe s LYS 69 N -4.95 1.59 -0.13 1.20 1.02 0.20 -5.13 119.74 113.55 2hpe s LYS 69 Ca 0.00 -1.57 0.02 0.00 0.02 0.00 0.00 55.97 54.44 2hpe s LYS 69 Cb 0.00 -1.85 -0.00 0.00 -0.52 0.00 0.00 37.83 35.46 2hpe s LYS 69 CO 0.00 0.38 -0.19 0.21 -0.92 0.00 0.00 175.35 174.83 2hpe s LYS 70 N -2.89 3.14 0.08 1.68 2.20 -1.26 -0.16 119.74 122.52 2hpe s LYS 70 Ca 0.23 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 2hpe s LYS 70 Cb -0.07 -2.47 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 2hpe s LYS 70 CO 0.11 0.09 -0.09 0.54 -0.36 0.00 0.00 175.35 175.65 2hpe s VAL 71 N 0.59 0.77 -0.21 4.02 0.11 -0.21 -5.02 120.40 120.45 2hpe s VAL 71 Ca -0.11 -1.53 -0.07 0.00 -2.93 0.00 0.00 61.98 57.33 2hpe s VAL 71 Cb -0.16 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 2hpe s VAL 71 CO 0.03 -0.57 0.06 -0.13 -3.33 0.00 0.00 175.10 171.17 2hpe s ARG 72 N -2.64 3.82 0.07 1.54 0.52 -1.26 -0.89 118.95 120.11 2hpe s ARG 72 Ca 0.02 -0.41 -0.14 0.00 -0.52 0.00 0.00 55.73 54.67 2hpe s ARG 72 Cb -0.03 -3.26 0.02 0.00 0.52 0.00 0.00 34.95 32.20 2hpe s ARG 72 CO -0.01 0.06 0.33 0.00 0.02 0.00 0.00 175.30 175.70 2hpe s ALA 73 N 0.95 -0.75 0.04 2.13 0.00 -0.63 -4.82 121.76 118.70 2hpe s ALA 73 Ca 0.04 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 2hpe s ALA 73 Cb -0.14 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 2hpe s ALA 73 CO 0.03 -0.49 1.14 0.99 0.00 0.00 0.00 175.76 177.43 2hpe s THR 74 N -2.99 4.27 -0.06 0.00 2.01 -1.26 -0.58 115.64 117.03 2hpe s THR 74 Ca -0.02 1.63 0.04 0.00 0.31 0.00 0.00 61.69 63.65 2hpe s THR 74 Cb 0.01 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 2hpe s THR 74 CO -0.06 0.13 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.18 2hpe s ILE 75 N 1.03 1.60 -0.08 1.82 -1.09 -0.57 -4.58 121.20 119.34 2hpe s ILE 75 Ca 0.57 -0.79 -0.02 0.00 -2.23 0.00 0.00 60.65 58.18 2hpe s ILE 75 Cb -0.27 -1.38 -0.03 0.00 -1.58 0.00 0.00 42.46 39.19 2hpe s ILE 75 CO 0.29 0.46 0.02 -0.04 -1.23 0.00 0.00 174.94 174.43 2hpe s MET 76 N 0.17 3.00 -0.09 2.79 -1.94 0.02 -1.65 119.30 121.60 2hpe s MET 76 Ca -0.08 -0.41 -0.00 0.00 -1.71 0.00 0.00 55.69 53.48 2hpe s MET 76 Cb -0.14 -2.81 -0.03 0.00 2.01 0.00 0.00 34.83 33.86 2hpe s MET 76 CO 0.04 0.70 -0.05 0.95 -0.01 0.00 0.00 175.02 176.65 2hpe s THR 77 N -0.93 3.87 0.02 2.05 -4.23 -0.88 -0.56 115.64 114.97 2hpe s THR 77 Ca 0.14 -0.41 -0.20 0.00 -1.18 0.00 0.00 61.69 60.05 2hpe s THR 77 Cb -0.11 -2.61 0.07 0.00 1.34 0.00 0.00 72.50 71.18 2hpe s THR 77 CO 0.04 0.58 0.90 0.61 -0.54 0.00 0.00 174.62 176.21 2hpe n GLY 78 N 2.41 0.43 3.54 3.99 0.00 -1.00 -2.57 105.19 111.99 2hpe n GLY 78 Ca -0.18 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.02 6.90 0.03 1.61 2.15 -1.26 -3.92 116.67 119.16 2hpe s ASP 79 Ca 0.21 -2.58 0.04 0.00 0.43 0.00 0.00 52.55 50.65 2hpe s ASP 79 Cb -0.01 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 40.06 2hpe s ASP 79 CO 0.01 -1.04 -0.05 0.28 -0.17 0.00 0.00 175.17 174.19 2hpe s THR 80 N 3.37 3.73 -0.18 1.71 -1.32 -1.26 -5.02 115.64 116.67 2hpe s THR 80 Ca 0.50 -0.86 0.26 0.00 -1.21 0.00 0.00 61.69 60.38 2hpe s THR 80 Cb 0.01 -2.67 0.33 0.00 -1.51 0.00 0.00 72.50 68.66 2hpe s THR 80 CO 0.04 0.30 1.75 1.55 -2.21 0.00 0.00 174.62 176.05 2hpe h PRO 81 N 4.18 0.00 -2.80 7.08 0.13 -1.99 -3.44 132.00 135.16 2hpe h PRO 81 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 2hpe h PRO 81 Cb 1.17 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.04 2hpe h PRO 81 CO 0.55 0.05 -0.33 -1.50 -0.23 0.00 0.00 178.00 176.54 2hpe s ILE 82 N -3.39 -0.02 0.06 -3.56 1.10 -1.26 -5.13 121.20 109.01 2hpe s ILE 82 Ca 0.04 0.06 -0.30 0.00 -0.51 0.00 0.00 60.65 59.94 2hpe s ILE 82 Cb 0.07 -0.53 -0.05 0.00 0.15 0.00 0.00 42.46 42.10 2hpe s ILE 82 CO 0.63 0.03 1.12 0.20 -2.11 0.00 0.00 174.94 174.81 2hpe s ASN 83 N 0.88 7.19 -0.08 4.50 0.01 -1.26 -4.86 114.94 121.31 2hpe s ASN 83 Ca -0.06 1.93 0.01 0.00 -0.71 0.00 0.00 52.86 54.04 2hpe s ASN 83 Cb -0.06 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.03 2hpe s ASN 83 CO -0.07 -0.37 -0.11 0.27 -1.51 0.00 0.00 177.10 175.32 2hpe s ILE 84 N 0.82 1.09 -0.23 0.60 -4.36 -0.40 -0.33 121.20 118.40 2hpe s ILE 84 Ca 0.55 -0.42 -0.17 0.00 -0.26 0.00 0.00 60.65 60.36 2hpe s ILE 84 Cb -0.27 -1.03 -0.03 0.00 1.25 0.00 0.00 42.46 42.37 2hpe s ILE 84 CO 0.30 0.36 0.45 -0.36 0.24 0.00 0.00 174.94 175.92 2hpe s PHE 85 N 0.98 3.32 0.15 1.37 0.40 -0.57 -1.62 117.98 122.02 2hpe s PHE 85 Ca -0.09 0.62 0.02 0.00 -0.60 0.00 0.00 56.93 56.89 2hpe s PHE 85 Cb -0.15 -2.62 0.02 0.00 0.51 0.00 0.00 43.02 40.79 2hpe s PHE 85 CO -0.00 -0.14 0.19 0.41 0.70 0.00 0.00 175.22 176.38 2hpe n GLY 86 N 4.17 2.18 0.32 4.36 0.00 -1.15 -1.17 105.19 113.89 2hpe n GLY 86 Ca -0.06 -2.17 0.15 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 -0.69 1.61 3.08 -1.38 -1.21 114.38 115.78 2hpe h ARG 87 Ca -0.08 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.14 2hpe h ARG 87 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2hpe h ARG 87 CO 0.11 0.00 0.48 -2.95 -1.07 0.00 0.00 179.97 176.54 2hpe h ASN 88 N 0.00 0.20 0.02 7.04 -1.07 -1.82 -1.38 115.58 118.57 2hpe h ASN 88 Ca 0.06 0.01 -0.39 0.00 0.07 0.00 0.00 56.30 56.05 2hpe h ASN 88 Cb 0.31 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.48 2hpe h ASN 88 CO -0.00 0.10 -2.29 -0.38 0.07 0.00 0.00 177.43 174.93 2hpe n ILE 89 N -4.42 1.56 -0.24 6.14 5.41 -0.54 -3.74 119.36 123.53 2hpe n ILE 89 Ca 0.13 -0.48 0.03 0.00 1.00 0.00 0.00 62.75 63.44 2hpe n ILE 89 Cb 0.61 -1.67 0.15 0.00 -0.71 0.00 0.00 39.64 38.02 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 -0.38 0.25 0.01 1.39 3.38 -1.20 0.14 115.31 118.90 2hpe h LEU 90 Ca -0.57 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2hpe h LEU 90 Cb 1.78 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.61 2hpe h LEU 90 CO -0.17 0.12 -0.01 0.71 0.09 0.00 0.00 178.44 179.18 2hpe h THR 91 N 0.43 1.11 -0.35 0.22 1.35 -1.46 0.13 112.91 114.34 2hpe h THR 91 Ca 0.37 -0.36 0.10 0.00 -0.55 0.00 0.00 66.41 65.97 2hpe h THR 91 Cb 0.52 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 2hpe h THR 91 CO -0.37 0.09 0.25 0.00 -0.25 0.00 0.00 175.52 175.25 2hpe h ALA 92 N 0.82 2.33 0.00 6.62 0.00 -1.37 -0.30 119.26 127.36 2hpe h ALA 92 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hpe h ALA 92 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2hpe h ALA 92 CO 0.00 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.10 2hpe n LEU 93 N -4.43 0.68 -0.40 0.00 4.77 0.38 -4.93 117.00 113.07 2hpe n LEU 93 Ca 0.05 0.60 -0.03 0.00 -0.03 0.00 0.00 56.01 56.61 2hpe n LEU 93 Cb 0.43 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2hpe n LEU 93 CO 0.36 -0.32 -0.02 0.61 -1.33 0.00 0.00 177.39 176.69 2hpe n GLY 94 N 0.76 0.37 3.85 -0.72 0.00 -0.12 -5.03 105.19 104.29 2hpe n GLY 94 Ca 0.04 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.33 4.02 0.07 1.61 -1.94 0.37 -5.00 119.30 114.10 2hpe s MET 95 Ca 0.01 0.64 0.02 0.00 -1.71 0.00 0.00 55.69 54.65 2hpe s MET 95 Cb -0.01 -2.57 -0.03 0.00 2.01 0.00 0.00 34.83 34.23 2hpe s MET 95 CO 0.02 0.24 -0.07 -1.54 -0.01 0.00 0.00 175.02 173.66 2hpe s SER 96 N -2.13 0.91 -0.19 3.03 1.04 -1.26 -4.60 113.70 110.49 2hpe s SER 96 Ca 0.50 -0.78 -0.14 0.00 0.48 0.00 0.00 55.95 56.01 2hpe s SER 96 Cb -0.12 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 2hpe s SER 96 CO 0.19 -0.36 0.31 -0.76 0.98 0.00 0.00 173.24 173.59 2hpe s LEU 97 N -2.32 4.18 0.08 2.42 1.43 -1.26 -5.09 118.68 118.12 2hpe s LEU 97 Ca 0.01 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.61 2hpe s LEU 97 Cb -0.02 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2hpe s LEU 97 CO -0.03 0.02 -0.21 0.20 0.23 0.00 0.00 176.35 176.56 2hpe s ASN 98 N 0.82 2.55 0.00 2.29 0.01 -1.26 -5.31 114.94 114.04 2hpe s ASN 98 Ca 0.16 -0.62 0.00 0.00 -0.71 0.00 0.00 52.86 51.68 2hpe s ASN 98 Cb -0.14 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.35 2hpe s ASN 98 CO 0.05 0.11 0.18 -0.11 -1.51 0.00 0.00 177.10 175.83