#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7n h LYS 2 N 0.00 1.20 -5.85 0.03 2.10 -2.07 -3.40 116.57 108.58 2x7n h LYS 2 Ca 0.00 -0.22 -0.63 0.00 -2.00 0.00 0.00 60.65 57.80 2x7n h LYS 2 Cb 0.00 -0.20 -0.05 0.00 -0.90 0.00 0.00 32.23 31.08 2x7n h LYS 2 CO 0.00 0.97 -0.46 0.08 -2.00 0.00 0.00 179.45 178.03 2x7n s VAL 3 N -5.56 5.39 -0.05 0.07 1.01 -1.26 -5.05 120.40 114.96 2x7n s VAL 3 Ca -0.12 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2x7n s VAL 3 Cb 0.16 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2x7n s VAL 3 CO 0.84 0.30 -0.20 -1.61 0.00 0.00 0.00 175.10 174.43 2x7n s GLU 4 N -2.01 2.07 -0.01 2.72 2.02 -1.26 -5.08 118.70 117.16 2x7n s GLU 4 Ca 0.29 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.63 2x7n s GLU 4 Cb -0.13 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.31 2x7n s GLU 4 CO 0.20 0.28 -0.19 -1.50 0.02 0.00 0.00 175.26 174.06 2x7n s ILE 5 N 0.00 2.64 0.02 -1.63 2.07 -1.26 -1.37 121.20 121.68 2x7n s ILE 5 Ca -0.05 -1.02 -0.30 0.00 -1.41 0.00 0.00 60.65 57.88 2x7n s ILE 5 Cb -0.13 -2.03 -0.06 0.00 0.13 0.00 0.00 42.46 40.38 2x7n s ILE 5 CO 0.03 0.49 1.34 -0.62 -1.91 0.00 0.00 174.94 174.28 2x7n s ASP 6 N -0.95 6.91 0.00 4.50 -1.08 0.15 -4.83 116.67 121.36 2x7n s ASP 6 Ca 0.12 2.09 0.15 0.00 -0.52 0.00 0.00 52.55 54.39 2x7n s ASP 6 Cb -0.10 -2.57 0.85 0.00 -1.46 0.00 0.00 42.92 39.64 2x7n s ASP 6 CO 0.02 -0.66 1.35 -1.54 0.52 0.00 0.00 175.17 174.86 2x7n n SER 7 N 4.94 0.00 0.00 -0.34 3.41 -0.30 -1.66 113.62 119.67 2x7n n SER 7 Ca 0.12 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2x7n n SER 7 Cb 0.44 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2x7n n SER 7 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2x7n n PHE 8 N -1.10 0.00 0.00 7.33 7.35 -1.26 -4.83 117.46 124.95 2x7n n PHE 8 Ca 0.10 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.71 2x7n n PHE 8 Cb 0.07 0.00 0.10 0.00 0.35 0.00 0.00 39.48 40.00 2x7n n PHE 8 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 2x7n h SER 9 N 0.00 0.58 0.00 -2.13 0.02 -1.95 -3.45 113.55 106.63 2x7n h SER 9 Ca 0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2x7n h SER 9 Cb 0.00 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.38 2x7n h SER 9 CO 0.00 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 2x7n n GLY 10 N 0.06 1.18 3.76 -3.77 0.00 -0.67 -0.47 105.19 105.27 2x7n n GLY 10 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2x7n n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x7n s ALA 11 N -2.21 2.18 0.41 4.61 0.00 -1.26 -4.28 121.76 121.21 2x7n s ALA 11 Ca 0.00 0.29 -0.24 0.00 0.00 0.00 0.00 51.96 52.01 2x7n s ALA 11 Cb 0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 2x7n s ALA 11 CO 0.00 -1.87 1.08 0.21 0.00 0.00 0.00 175.76 175.19 2x7n s LYS 12 N -4.88 4.10 -0.17 0.00 2.20 -1.26 -0.68 119.74 119.04 2x7n s LYS 12 Ca 0.62 1.60 -0.05 0.00 -0.36 0.00 0.00 55.97 57.78 2x7n s LYS 12 Cb -0.18 -2.55 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 2x7n s LYS 12 CO 0.56 -0.22 -0.01 0.42 -0.36 0.00 0.00 175.35 175.74 2x7n s ILE 13 N -1.60 4.04 0.28 5.43 1.01 -0.47 -4.84 121.20 125.05 2x7n s ILE 13 Ca 0.58 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 2x7n s ILE 13 Cb -0.24 -2.80 -0.11 0.00 0.01 0.00 0.00 42.46 39.32 2x7n s ILE 13 CO 0.30 0.47 1.56 -0.31 0.00 0.00 0.00 174.94 176.96 2x7n s TYR 14 N 0.58 2.81 0.61 3.97 1.51 -1.26 -4.57 117.35 121.00 2x7n s TYR 14 Ca -0.01 0.83 -0.18 0.00 -1.01 0.00 0.00 57.07 56.70 2x7n s TYR 14 Cb -0.14 -4.02 -0.03 0.00 -0.11 0.00 0.00 41.96 37.67 2x7n s TYR 14 CO 0.02 -3.40 1.18 -2.14 -1.11 0.00 0.00 175.55 170.10 2x7n s PRO 15 N -0.45 2.92 0.00 -1.71 0.02 -1.26 -2.81 135.00 131.71 2x7n s PRO 15 Ca 0.63 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.36 2x7n s PRO 15 Cb -0.46 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.12 2x7n s PRO 15 CO 0.47 -1.22 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 2x7n n GLY 16 N 0.28 0.75 2.00 0.52 0.00 -1.26 -5.00 105.19 102.48 2x7n n GLY 16 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 2x7n n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x7n n ARG 17 N -2.31 0.40 0.00 1.61 1.74 -1.12 -5.13 116.66 111.84 2x7n n ARG 17 Ca 0.00 -1.70 0.00 0.00 -0.77 0.00 0.00 57.85 55.38 2x7n n ARG 17 Cb 0.00 1.61 0.00 0.00 -1.02 0.00 0.00 32.46 33.05 2x7n n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x7n n GLY 18 N -0.35 0.22 3.24 -0.13 0.00 -1.26 -4.86 105.19 102.05 2x7n n GLY 18 Ca 0.01 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 43.97 2x7n n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x7n s THR 19 N -1.72 1.35 -0.10 2.61 2.01 -0.10 -4.99 115.64 114.70 2x7n s THR 19 Ca 0.00 -1.64 0.03 0.00 0.31 0.00 0.00 61.69 60.40 2x7n s THR 19 Cb 0.00 -1.47 -0.00 0.00 0.01 0.00 0.00 72.50 71.04 2x7n s THR 19 CO 0.00 -0.34 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.61 2x7n s LEU 20 N -2.29 2.22 -0.14 4.42 1.43 -1.26 -0.19 118.68 122.87 2x7n s LEU 20 Ca 0.07 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 2x7n s LEU 20 Cb -0.06 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2x7n s LEU 20 CO 0.03 0.17 0.08 0.12 0.23 0.00 0.00 176.35 176.98 2x7n s PHE 21 N 0.27 3.35 -0.24 0.29 5.36 1.00 -4.95 117.98 123.06 2x7n s PHE 21 Ca -0.15 0.27 -0.09 0.00 -0.96 0.00 0.00 56.93 56.00 2x7n s PHE 21 Cb -0.17 -1.96 -0.04 0.00 -0.34 0.00 0.00 43.02 40.51 2x7n s PHE 21 CO 0.08 0.44 0.11 0.08 -1.46 0.00 0.00 175.22 174.46 2x7n s VAL 22 N -0.42 4.79 0.33 3.12 1.01 -1.26 -1.77 120.40 126.20 2x7n s VAL 22 Ca 0.10 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.14 2x7n s VAL 22 Cb -0.12 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 33.10 2x7n s VAL 22 CO 0.02 0.34 1.76 0.03 0.00 0.00 0.00 175.10 177.25 2x7n h ARG 23 N 7.85 0.20 0.00 2.72 2.47 -1.25 -3.47 114.38 122.90 2x7n h ARG 23 Ca -0.37 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 2x7n h ARG 23 Cb 1.18 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 2x7n h ARG 23 CO 0.61 0.53 0.00 0.41 0.56 0.00 0.00 179.97 182.07 2x7n n GLY 24 N -0.37 2.70 1.95 0.04 0.00 -1.26 -4.63 105.19 103.62 2x7n n GLY 24 Ca -0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 2x7n n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x7n n ASP 25 N 0.33 5.15 -1.44 1.61 5.75 -1.26 -4.87 116.55 121.82 2x7n n ASP 25 Ca 0.00 -3.08 -0.15 0.00 -0.01 0.00 0.00 54.79 51.55 2x7n n ASP 25 Cb 0.00 -0.72 -0.04 0.00 -1.03 0.00 0.00 41.12 39.33 2x7n n ASP 25 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2x7n n SER 26 N 0.17 -4.68 -4.88 -1.12 7.64 -1.26 -5.01 113.62 104.48 2x7n n SER 26 Ca 0.35 0.18 -0.30 0.00 1.01 0.00 0.00 58.87 60.11 2x7n n SER 26 Cb 1.30 -3.66 0.01 0.00 -1.01 0.00 0.00 64.21 60.84 2x7n n SER 26 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2x7n s LYS 27 N -4.02 3.54 -0.04 1.43 2.47 -1.26 -4.79 119.74 117.08 2x7n s LYS 27 Ca 0.00 0.63 0.03 0.00 -1.56 0.00 0.00 55.97 55.08 2x7n s LYS 27 Cb 0.00 -2.13 0.00 0.00 -1.46 0.00 0.00 37.83 34.24 2x7n s LYS 27 CO 0.00 -0.54 -0.14 0.96 0.16 0.00 0.00 175.35 175.80 2x7n s ILE 28 N -3.11 1.16 -0.12 5.43 -4.36 -1.26 -0.75 121.20 118.18 2x7n s ILE 28 Ca 0.54 -0.56 0.01 0.00 -0.26 0.00 0.00 60.65 60.38 2x7n s ILE 28 Cb -0.11 -1.01 0.02 0.00 1.25 0.00 0.00 42.46 42.61 2x7n s ILE 28 CO 0.52 0.34 -0.15 -0.36 0.24 0.00 0.00 174.94 175.53 2x7n s PHE 29 N 0.13 2.05 -0.26 1.37 0.08 -0.73 -4.97 117.98 115.66 2x7n s PHE 29 Ca -0.04 -1.02 -0.11 0.00 0.12 0.00 0.00 56.93 55.88 2x7n s PHE 29 Cb -0.11 -1.49 -0.05 0.00 -0.57 0.00 0.00 43.02 40.81 2x7n s PHE 29 CO 0.02 -0.54 0.17 1.03 -0.10 0.00 0.00 175.22 175.80 2x7n s ARG 30 N 1.13 4.02 -0.10 0.44 0.52 -1.26 -0.00 118.95 123.69 2x7n s ARG 30 Ca -0.03 -0.29 -0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2x7n s ARG 30 Cb -0.14 -3.59 -0.03 0.00 0.52 0.00 0.00 34.95 31.71 2x7n s ARG 30 CO -0.04 -0.04 -0.07 -0.06 0.02 0.00 0.00 175.30 175.10 2x7n s PHE 31 N 1.36 2.94 0.11 -0.53 0.40 0.73 -1.15 117.98 121.85 2x7n s PHE 31 Ca 0.07 -0.15 -0.13 0.00 -0.60 0.00 0.00 56.93 56.13 2x7n s PHE 31 Cb -0.15 -1.79 -0.11 0.00 0.51 0.00 0.00 43.02 41.48 2x7n s PHE 31 CO 0.07 0.16 1.37 0.37 0.70 0.00 0.00 175.22 177.90 2x7n h GLN 32 N 5.82 0.83 0.00 0.44 4.15 -1.94 -0.25 115.11 124.16 2x7n h GLN 32 Ca -0.41 -0.56 -0.10 0.00 0.77 0.00 0.00 58.65 58.35 2x7n h GLN 32 Cb 1.18 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 2x7n h GLN 32 CO 0.56 1.18 0.11 0.27 -1.93 0.00 0.00 178.83 179.02 2x7n n ASN 33 N -4.03 -1.68 -0.01 -0.69 6.94 -1.26 -4.25 115.26 110.28 2x7n n ASN 33 Ca -0.05 -2.45 -0.03 0.00 -0.02 0.00 0.00 54.58 52.03 2x7n n ASN 33 Cb 0.64 2.88 0.22 0.00 -2.36 0.00 0.00 39.78 41.15 2x7n n ASN 33 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 2x7n h SER 34 N 1.68 0.53 -0.68 0.53 0.87 -1.99 -2.79 113.55 111.71 2x7n h SER 34 Ca -0.27 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 2x7n h SER 34 Cb 1.04 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.82 2x7n h SER 34 CO 0.35 0.71 0.38 0.07 -0.53 0.00 0.00 176.83 177.81 2x7n h LYS 35 N 0.49 0.94 -0.26 2.24 2.10 -1.98 0.67 116.57 120.77 2x7n h LYS 35 Ca 0.09 -0.10 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2x7n h LYS 35 Cb 0.55 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 2x7n h LYS 35 CO 0.04 0.70 0.09 0.77 -2.00 0.00 0.00 179.45 179.04 2x7n h SER 36 N 0.93 0.38 -0.91 7.07 0.02 -1.95 -1.05 113.55 118.03 2x7n h SER 36 Ca 0.24 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2x7n h SER 36 Cb 0.02 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 2x7n h SER 36 CO -0.04 0.46 0.57 0.00 -1.14 0.00 0.00 176.83 176.68 2x7n h ALA 37 N 0.93 1.16 -0.69 3.77 0.00 -1.04 -0.08 119.26 123.31 2x7n h ALA 37 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x7n h ALA 37 Cb 0.21 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2x7n h ALA 37 CO -0.00 0.60 0.43 1.03 0.00 0.00 0.00 179.25 181.30 2x7n h SER 38 N 1.25 0.81 -0.64 0.00 0.87 0.76 0.15 113.55 116.75 2x7n h SER 38 Ca 0.33 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.79 2x7n h SER 38 Cb -0.09 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.64 2x7n h SER 38 CO -0.07 0.62 0.21 -0.07 -0.53 0.00 0.00 176.83 176.99 2x7n h LEU 39 N 0.94 0.92 -0.68 2.23 3.38 0.02 -1.30 115.31 120.81 2x7n h LEU 39 Ca 0.25 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2x7n h LEU 39 Cb -0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 2x7n h LEU 39 CO -0.05 0.87 0.26 0.15 0.09 0.00 0.00 178.44 179.76 2x7n h PHE 40 N 0.91 1.05 -0.32 1.13 3.57 -0.12 -0.28 116.94 122.88 2x7n h PHE 40 Ca 0.21 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2x7n h PHE 40 Cb 0.28 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2x7n h PHE 40 CO 0.02 0.82 0.14 0.87 -2.23 0.00 0.00 178.31 177.93 2x7n h LYS 41 N 0.97 0.44 0.00 1.11 1.79 -0.28 0.62 116.57 121.22 2x7n h LYS 41 Ca 0.23 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 2x7n h LYS 41 Cb 0.23 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2x7n h LYS 41 CO -0.02 0.35 -0.06 1.96 -1.08 0.00 0.00 179.45 180.61 2x7n h GLN 42 N 0.44 0.00 -0.30 3.15 1.08 0.09 -3.46 115.11 116.12 2x7n h GLN 42 Ca 0.11 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 2x7n h GLN 42 Cb 0.07 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2x7n h GLN 42 CO -0.01 0.06 -0.05 0.54 -0.95 0.00 0.00 178.83 178.42 2x7n n ARG 43 N -3.59 -0.16 -3.18 1.46 5.12 0.22 -5.05 116.66 111.47 2x7n n ARG 43 Ca -0.02 0.09 -0.27 0.00 -1.93 0.00 0.00 57.85 55.72 2x7n n ARG 43 Cb 0.18 -3.68 -0.02 0.00 -1.16 0.00 0.00 32.46 27.77 2x7n n ARG 43 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2x7n s LYS 44 N -4.12 3.60 -0.10 5.56 1.02 -1.05 -5.04 119.74 119.61 2x7n s LYS 44 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.99 2x7n s LYS 44 Cb -0.00 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 2x7n s LYS 44 CO 0.00 0.11 -0.04 -0.80 -0.92 0.00 0.00 175.35 173.69 2x7n s ASN 45 N -3.51 4.82 0.49 2.83 -0.87 -1.26 -4.57 114.94 112.87 2x7n s ASN 45 Ca 0.44 -0.01 0.22 0.00 -1.57 0.00 0.00 52.86 51.95 2x7n s ASN 45 Cb -0.10 -1.40 1.27 0.00 -0.02 0.00 0.00 41.25 40.99 2x7n s ASN 45 CO 0.34 0.32 1.94 1.55 -2.57 0.00 0.00 177.10 178.68 2x7n h PRO 46 N 5.61 0.17 -0.33 -0.60 0.13 -1.93 0.67 132.00 135.72 2x7n h PRO 46 Ca -0.44 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 2x7n h PRO 46 Cb 1.18 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2x7n h PRO 46 CO 0.55 0.11 -0.04 0.07 -0.23 0.00 0.00 178.00 178.47 2x7n h ARG 47 N 0.18 0.52 -0.08 0.86 0.11 -1.91 -2.35 114.38 111.71 2x7n h ARG 47 Ca 0.34 -0.12 -0.07 0.00 0.10 0.00 0.00 59.98 60.22 2x7n h ARG 47 Cb 1.08 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.08 2x7n h ARG 47 CO -0.06 0.58 -0.29 0.00 0.10 0.00 0.00 179.97 180.30 2x7n h ARG 48 N 0.49 0.14 -5.89 0.08 3.08 -1.27 -3.41 114.38 107.61 2x7n h ARG 48 Ca 0.10 -0.05 -0.58 0.00 0.07 0.00 0.00 59.98 59.52 2x7n h ARG 48 Cb 0.38 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 2x7n h ARG 48 CO 0.02 0.42 0.43 0.42 -1.07 0.00 0.00 179.97 180.19 2x7n s ILE 49 N -4.38 4.86 0.21 2.04 -1.09 -0.88 -4.94 121.20 117.01 2x7n s ILE 49 Ca -0.04 1.61 -0.08 0.00 -2.23 0.00 0.00 60.65 59.91 2x7n s ILE 49 Cb 0.15 -4.13 0.14 0.00 -1.58 0.00 0.00 42.46 37.04 2x7n s ILE 49 CO 0.74 -0.02 1.77 0.00 -1.23 0.00 0.00 174.94 176.20 2x7n h ALA 50 N 7.47 1.00 0.00 9.38 0.00 -1.84 -2.66 119.26 132.61 2x7n h ALA 50 Ca -0.27 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2x7n h ALA 50 Cb 1.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2x7n h ALA 50 CO 0.85 0.63 -0.25 0.11 0.00 0.00 0.00 179.25 180.60 2x7n h TRP 51 N 1.12 0.00 -4.06 0.00 5.08 -1.93 -3.37 115.95 112.78 2x7n h TRP 51 Ca 0.25 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 59.68 2x7n h TRP 51 Cb 0.23 0.00 0.13 0.00 -3.00 0.00 0.00 29.16 26.52 2x7n h TRP 51 CO 0.02 0.25 0.55 -0.08 -1.28 0.00 0.00 178.44 177.90 2x7n s THR 52 N -4.44 2.30 0.25 0.12 -1.32 -1.00 -4.86 115.64 106.68 2x7n s THR 52 Ca -0.03 0.21 -0.03 0.00 -1.21 0.00 0.00 61.69 60.63 2x7n s THR 52 Cb 0.15 -3.10 0.11 0.00 -1.51 0.00 0.00 72.50 68.15 2x7n s THR 52 CO 0.70 -0.02 1.74 0.58 -2.21 0.00 0.00 174.62 175.42 2x7n h VAL 53 N 1.23 1.25 -0.31 5.08 2.07 -1.78 -1.33 116.25 122.47 2x7n h VAL 53 Ca -0.51 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.00 2x7n h VAL 53 Cb 1.30 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 2x7n h VAL 53 CO 0.56 0.37 0.15 0.25 0.02 0.00 0.00 177.57 178.92 2x7n h LEU 54 N 0.77 0.21 -0.13 2.57 7.12 -1.07 -2.03 115.31 122.75 2x7n h LEU 54 Ca 0.15 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 2x7n h LEU 54 Cb 0.47 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 2x7n h LEU 54 CO 0.02 0.16 0.03 0.15 -0.13 0.00 0.00 178.44 178.68 2x7n h PHE 55 N 0.31 0.22 0.00 1.25 3.57 -1.65 -3.47 116.94 117.17 2x7n h PHE 55 Ca 0.13 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2x7n h PHE 55 Cb 0.05 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2x7n h PHE 55 CO -0.10 0.36 0.00 0.54 -2.23 0.00 0.00 178.31 176.88