#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fpe n SER 0 N 0.00 -1.12 -1.79 1.61 2.88 -1.26 -5.14 113.62 108.80 2fpe n SER 0 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2fpe n SER 0 Cb 0.00 -0.56 -0.01 0.00 -0.75 0.00 0.00 64.21 62.89 2fpe n SER 0 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2fpe n GLU 1 N 0.83 0.88 -1.76 -1.46 2.13 -1.26 -5.12 120.64 114.87 2fpe n GLU 1 Ca 0.00 -0.48 -0.41 0.00 0.66 0.00 0.00 57.16 56.94 2fpe n GLU 1 Cb 0.00 0.26 0.01 0.00 0.27 0.00 0.00 31.44 31.98 2fpe n GLU 1 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2fpe n GLN 2 N -0.13 2.43 0.00 5.31 7.27 -1.26 -4.78 117.38 126.22 2fpe n GLN 2 Ca -0.01 0.86 0.00 0.00 0.07 0.00 0.00 57.00 57.92 2fpe n GLN 2 Cb 0.08 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.12 2fpe n GLN 2 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2fpe n THR 3 N 0.12 0.00 -4.26 1.69 -2.24 0.24 -4.93 114.28 104.90 2fpe n THR 3 Ca 0.03 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.62 2fpe n THR 3 Cb 0.40 -0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 67.84 2fpe n THR 3 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2fpe n HIS 4 N -1.74 -0.86 -3.74 4.78 8.25 -0.60 -1.41 115.22 119.91 2fpe n HIS 4 Ca 0.00 -2.75 -0.13 0.00 -0.26 0.00 0.00 57.72 54.58 2fpe n HIS 4 Cb 0.38 0.32 -0.13 0.00 1.12 0.00 0.00 29.99 31.68 2fpe n HIS 4 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2fpe s ARG 5 N -3.29 0.18 0.23 -0.41 6.06 -0.34 -1.27 118.95 120.11 2fpe s ARG 5 Ca 0.39 0.49 -0.30 0.00 -2.50 0.00 0.00 55.73 53.81 2fpe s ARG 5 Cb 0.02 -0.12 -0.09 0.00 0.06 0.00 0.00 34.95 34.82 2fpe s ARG 5 CO 0.27 -0.16 1.15 0.00 -2.50 0.00 0.00 175.30 174.06 2fpe s ALA 6 N 1.19 3.42 -0.16 6.12 0.00 -0.59 -0.88 121.76 130.85 2fpe s ALA 6 Ca -0.09 0.92 0.04 0.00 0.00 0.00 0.00 51.96 52.83 2fpe s ALA 6 Cb -0.10 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 2fpe s ALA 6 CO -0.08 -0.27 0.16 0.44 0.00 0.00 0.00 175.76 176.01 2fpe n ILE 7 N 1.87 0.00 -4.16 0.00 -5.35 0.37 0.02 119.36 112.12 2fpe n ILE 7 Ca 0.02 -0.36 -0.18 0.00 -0.27 0.00 0.00 62.75 61.96 2fpe n ILE 7 Cb 0.45 0.91 -0.12 0.00 -1.74 0.00 0.00 39.64 39.14 2fpe n ILE 7 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2fpe s PHE 8 N -1.51 1.12 0.09 4.28 0.08 -1.24 -4.78 117.98 116.02 2fpe s PHE 8 Ca 0.01 -0.46 -0.31 0.00 0.12 0.00 0.00 56.93 56.29 2fpe s PHE 8 Cb 0.03 -0.64 -0.07 0.00 -0.57 0.00 0.00 43.02 41.77 2fpe s PHE 8 CO 0.16 0.03 1.39 0.50 -0.10 0.00 0.00 175.22 177.20 2fpe s ARG 9 N -1.68 4.32 -0.20 0.44 6.06 -1.26 -4.47 118.95 122.16 2fpe s ARG 9 Ca -0.03 2.04 -0.01 0.00 -2.50 0.00 0.00 55.73 55.23 2fpe s ARG 9 Cb -0.10 -3.33 0.05 0.00 0.06 0.00 0.00 34.95 31.64 2fpe s ARG 9 CO 0.02 -0.46 -0.02 0.12 -2.50 0.00 0.00 175.30 172.46 2fpe s PHE 10 N 1.38 1.72 -0.34 5.12 5.36 -0.35 -4.98 117.98 125.89 2fpe s PHE 10 Ca 0.64 -1.23 -0.11 0.00 -0.96 0.00 0.00 56.93 55.27 2fpe s PHE 10 Cb -0.35 -1.31 0.01 0.00 -0.34 0.00 0.00 43.02 41.03 2fpe s PHE 10 CO 0.30 -0.67 0.18 0.08 -1.46 0.00 0.00 175.22 173.66 2fpe s VAL 11 N 1.62 4.63 0.46 3.12 1.01 -1.26 -0.94 120.40 129.05 2fpe s VAL 11 Ca -0.02 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 2fpe s VAL 11 Cb -0.17 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 2fpe s VAL 11 CO -0.07 -0.09 1.14 -2.65 0.00 0.00 0.00 175.10 173.43 2fpe n PRO 12 N 5.00 1.55 -0.00 2.72 -0.02 -1.26 -4.91 135.00 138.08 2fpe n PRO 12 Ca -0.13 0.56 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 2fpe n PRO 12 Cb 0.48 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 2fpe n PRO 12 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2fpe n ARG 13 N -0.17 1.18 -4.78 -0.52 1.74 -1.26 -5.03 116.66 107.81 2fpe n ARG 13 Ca 0.09 -0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.84 2fpe n ARG 13 Cb 0.41 -1.02 -0.14 0.00 -1.02 0.00 0.00 32.46 30.69 2fpe n ARG 13 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2fpe s HIS 14 N -2.11 2.33 0.40 -1.55 3.76 -1.26 -5.05 115.29 111.82 2fpe s HIS 14 Ca -0.01 -0.40 0.17 0.00 -0.15 0.00 0.00 55.06 54.67 2fpe s HIS 14 Cb 0.03 -1.37 1.06 0.00 1.11 0.00 0.00 32.58 33.41 2fpe s HIS 14 CO 0.16 0.18 1.80 1.49 -0.85 0.00 0.00 174.74 177.52 2fpe h GLU 15 N 4.58 0.42 -0.01 1.40 4.81 -2.03 -1.71 114.58 122.05 2fpe h GLU 15 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2fpe h GLU 15 Cb 1.15 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2fpe h GLU 15 CO 0.43 0.28 -0.06 -0.40 -0.73 0.00 0.00 179.01 178.53 2fpe n ASP 16 N -4.59 0.62 -4.86 1.04 5.75 -1.26 -4.93 116.55 108.32 2fpe n ASP 16 Ca 0.23 -0.90 -0.31 0.00 -0.01 0.00 0.00 54.79 53.80 2fpe n ASP 16 Cb 0.78 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.80 2fpe n ASP 16 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2fpe s GLU 17 N -2.26 3.90 -0.27 0.11 2.02 -0.65 -0.96 118.70 120.60 2fpe s GLU 17 Ca 0.35 0.64 -0.10 0.00 0.02 0.00 0.00 54.97 55.89 2fpe s GLU 17 Cb 0.21 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 2fpe s GLU 17 CO 0.42 -0.01 0.15 -1.17 0.02 0.00 0.00 175.26 174.67 2fpe s LEU 18 N -3.57 3.83 0.27 1.80 2.96 0.58 -4.54 118.68 120.01 2fpe s LEU 18 Ca 0.54 -0.07 -0.29 0.00 -0.22 0.00 0.00 54.13 54.08 2fpe s LEU 18 Cb -0.10 -2.06 -0.10 0.00 0.50 0.00 0.00 46.19 44.44 2fpe s LEU 18 CO 0.26 -0.04 1.26 -0.70 -1.32 0.00 0.00 176.35 175.80 2fpe s GLU 19 N 1.71 4.43 -0.02 1.98 2.12 -1.26 -4.78 118.70 122.88 2fpe s GLU 19 Ca 0.07 2.06 0.04 0.00 0.36 0.00 0.00 54.97 57.50 2fpe s GLU 19 Cb -0.16 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 2fpe s GLU 19 CO 0.09 -0.12 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.03 2fpe s LEU 20 N -1.07 1.98 0.03 2.70 1.43 -0.11 -4.98 118.68 118.65 2fpe s LEU 20 Ca 0.51 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 2fpe s LEU 20 Cb -0.37 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 2fpe s LEU 20 CO 0.45 0.16 -0.17 -1.61 0.23 0.00 0.00 176.35 175.41 2fpe s GLU 21 N -0.22 2.15 0.14 1.70 0.41 -1.26 -1.21 118.70 120.40 2fpe s GLU 21 Ca 0.03 -0.93 -0.34 0.00 -0.41 0.00 0.00 54.97 53.31 2fpe s GLU 21 Cb -0.07 -2.22 -0.16 0.00 -1.78 0.00 0.00 34.13 29.90 2fpe s GLU 21 CO -0.00 0.55 1.28 0.28 -0.49 0.00 0.00 175.26 176.88 2fpe n VAL 22 N 1.67 0.46 -1.05 2.63 0.31 -1.26 -1.71 118.33 119.37 2fpe n VAL 22 Ca -0.16 -0.11 -0.02 0.00 -0.01 0.00 0.00 64.34 64.04 2fpe n VAL 22 Cb 0.52 -0.91 -0.01 0.00 -0.91 0.00 0.00 33.84 32.53 2fpe n VAL 22 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2fpe n ASP 23 N 2.33 -3.68 -4.74 4.52 2.03 0.10 -5.00 116.55 112.11 2fpe n ASP 23 Ca 0.16 0.05 -0.42 0.00 0.52 0.00 0.00 54.79 55.10 2fpe n ASP 23 Cb 0.23 -1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 39.26 2fpe n ASP 23 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2fpe s ASP 24 N -2.34 6.71 0.10 1.67 1.01 -0.69 -4.70 116.67 118.43 2fpe s ASP 24 Ca 0.00 2.57 -0.30 0.00 0.71 0.00 0.00 52.55 55.53 2fpe s ASP 24 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 2fpe s ASP 24 CO 0.00 -0.68 1.16 -2.16 0.21 0.00 0.00 175.17 173.70 2fpe s PRO 25 N 0.05 4.49 0.08 8.23 0.04 -1.26 -1.55 135.00 145.08 2fpe s PRO 25 Ca 0.61 1.75 0.07 0.00 0.04 0.00 0.00 61.00 63.47 2fpe s PRO 25 Cb -0.40 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 2fpe s PRO 25 CO 0.39 -0.14 -0.19 -0.51 0.04 0.00 0.00 177.00 176.59 2fpe s LEU 26 N 0.52 2.26 -0.33 -3.56 1.43 -0.39 -4.08 118.68 114.53 2fpe s LEU 26 Ca 0.55 -0.63 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2fpe s LEU 26 Cb -0.29 -0.83 0.10 0.00 0.03 0.00 0.00 46.19 45.19 2fpe s LEU 26 CO 0.32 0.06 0.04 -0.22 0.23 0.00 0.00 176.35 176.77 2fpe s LEU 27 N -1.68 4.54 -0.20 1.79 0.20 -0.69 -0.59 118.68 122.04 2fpe s LEU 27 Ca 0.05 -2.07 -0.24 0.00 0.69 0.00 0.00 54.13 52.56 2fpe s LEU 27 Cb -0.10 -1.59 -0.01 0.00 -0.43 0.00 0.00 46.19 44.06 2fpe s LEU 27 CO 0.03 -0.36 0.79 -0.69 -0.29 0.00 0.00 176.35 175.82 2fpe s VAL 28 N 0.95 4.90 -0.03 1.68 1.01 -1.26 -1.17 120.40 126.47 2fpe s VAL 28 Ca 0.09 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.56 2fpe s VAL 28 Cb -0.19 -4.09 -0.27 0.00 0.00 0.00 0.00 36.38 31.83 2fpe s VAL 28 CO -0.08 0.02 0.71 -0.33 0.00 0.00 0.00 175.10 175.41 2fpe h GLU 29 N 7.47 0.23 -3.04 2.72 5.08 -0.99 -3.48 114.58 122.58 2fpe h GLU 29 Ca -0.28 -0.40 -0.14 0.00 -1.00 0.00 0.00 59.36 57.54 2fpe h GLU 29 Cb 1.12 0.15 -0.24 0.00 0.50 0.00 0.00 28.75 30.29 2fpe h GLU 29 CO 0.83 1.07 -0.35 -1.17 -1.00 0.00 0.00 179.01 178.40 2fpe s LEU 30 N -6.91 0.88 -0.87 1.33 2.96 -0.98 -5.00 118.68 110.09 2fpe s LEU 30 Ca -0.12 0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 54.22 2fpe s LEU 30 Cb 0.07 1.08 0.24 0.00 0.50 0.00 0.00 46.19 48.08 2fpe s LEU 30 CO 0.83 -0.21 0.88 0.00 -1.32 0.00 0.00 176.35 176.54 2fpe n GLN 31 N 2.42 2.89 -1.16 1.98 6.02 -1.26 -1.31 117.38 126.96 2fpe n GLN 31 Ca -0.16 -4.54 -0.37 0.00 -0.01 0.00 0.00 57.00 51.93 2fpe n GLN 31 Cb 0.57 -2.39 0.05 0.00 1.02 0.00 0.00 30.24 29.49 2fpe n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2fpe n ALA 32 N 1.80 -3.07 0.09 -1.58 0.00 -0.62 -4.88 120.51 112.24 2fpe n ALA 32 Ca 0.24 -0.33 0.02 0.00 0.00 0.00 0.00 53.44 53.38 2fpe n ALA 32 Cb 0.37 -1.54 0.37 0.00 0.00 0.00 0.00 19.45 18.65 2fpe n ALA 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2fpe h GLU 33 N -0.51 0.30 -0.85 0.00 4.11 -1.98 -2.62 114.58 113.02 2fpe h GLU 33 Ca -0.44 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2fpe h GLU 33 Cb 1.36 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2fpe h GLU 33 CO 0.37 0.41 0.00 -0.40 0.07 0.00 0.00 179.01 179.46 2fpe n ASP 34 N -4.27 1.30 -1.84 3.06 5.75 -1.26 -4.85 116.55 114.44 2fpe n ASP 34 Ca -0.00 -2.07 -0.15 0.00 -0.01 0.00 0.00 54.79 52.56 2fpe n ASP 34 Cb 0.26 -0.46 0.01 0.00 -1.03 0.00 0.00 41.12 39.90 2fpe n ASP 34 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2fpe n TYR 35 N 0.01 -0.97 -4.76 2.11 4.01 -0.99 -5.01 117.16 111.56 2fpe n TYR 35 Ca 0.02 0.16 -0.30 0.00 -0.16 0.00 0.00 57.90 57.62 2fpe n TYR 35 Cb 0.30 -3.17 -0.14 0.00 -0.31 0.00 0.00 39.34 36.02 2fpe n TYR 35 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2fpe s TRP 36 N -2.82 2.42 -0.08 -0.72 0.52 -1.26 -1.73 118.94 115.28 2fpe s TRP 36 Ca 0.09 -0.34 -0.02 0.00 0.02 0.00 0.00 56.10 55.85 2fpe s TRP 36 Cb -0.04 -1.41 -0.03 0.00 -1.15 0.00 0.00 33.47 30.83 2fpe s TRP 36 CO 0.11 0.20 0.02 0.71 0.02 0.00 0.00 176.95 178.01 2fpe s TYR 37 N -0.87 3.22 -0.21 -1.98 1.51 0.43 -1.59 117.35 117.84 2fpe s TYR 37 Ca 0.13 0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 56.38 2fpe s TYR 37 Cb -0.10 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 2fpe s TYR 37 CO 0.04 0.51 -0.05 -1.21 -1.11 0.00 0.00 175.55 173.72 2fpe s GLU 38 N -1.01 3.38 0.39 -0.62 2.02 -0.43 -1.36 118.70 121.07 2fpe s GLU 38 Ca 0.15 -0.63 -0.14 0.00 0.02 0.00 0.00 54.97 54.37 2fpe s GLU 38 Cb -0.11 -2.97 0.05 0.00 0.10 0.00 0.00 34.13 31.19 2fpe s GLU 38 CO 0.04 -0.15 0.75 0.00 0.02 0.00 0.00 175.26 175.92 2fpe s ALA 39 N 1.36 -0.52 -0.13 5.21 0.00 -0.23 -0.24 121.76 127.20 2fpe s ALA 39 Ca 0.04 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 2fpe s ALA 39 Cb -0.14 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 2fpe s ALA 39 CO -0.03 -0.96 -0.05 0.71 0.00 0.00 0.00 175.76 175.43 2fpe s TYR 40 N -2.34 2.99 0.47 0.00 1.51 -0.32 -1.43 117.35 118.24 2fpe s TYR 40 Ca 0.18 -0.25 -0.03 0.00 -1.01 0.00 0.00 57.07 55.96 2fpe s TYR 40 Cb -0.04 -1.89 0.10 0.00 -0.11 0.00 0.00 41.96 40.01 2fpe s TYR 40 CO 0.13 0.04 0.65 -1.71 -1.11 0.00 0.00 175.55 173.55 2fpe n ASN 41 N 3.21 0.56 0.00 2.29 2.85 0.11 -1.71 115.26 122.58 2fpe n ASN 41 Ca -0.18 -1.55 0.00 0.00 -0.11 0.00 0.00 54.58 52.75 2fpe n ASN 41 Cb 0.53 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.10 2fpe n ASN 41 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2fpe n ARG 43 N -2.26 0.00 0.09 1.20 0.63 -1.26 0.13 116.66 115.19 2fpe n ARG 43 Ca 0.10 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.11 2fpe n ARG 43 Cb 0.34 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.23 2fpe n ARG 43 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2fpe n THR 44 N 0.00 0.76 -0.09 5.15 -2.24 -1.26 -4.96 114.28 111.64 2fpe n THR 44 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2fpe n THR 44 Cb 0.00 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 2fpe n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fpe n GLY 45 N 1.23 2.02 3.78 3.38 0.00 0.35 -5.03 105.19 110.92 2fpe n GLY 45 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2fpe n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fpe s ALA 46 N -2.82 2.44 0.08 4.61 0.00 -1.22 -4.68 121.76 120.17 2fpe s ALA 46 Ca 0.00 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.36 2fpe s ALA 46 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2fpe s ALA 46 CO 0.00 -1.44 -0.20 0.50 0.00 0.00 0.00 175.76 174.62 2fpe s ARG 47 N -4.62 1.19 0.00 0.00 3.52 -1.26 0.09 118.95 117.87 2fpe s ARG 47 Ca 0.62 -1.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2fpe s ARG 47 Cb -0.17 -1.37 0.00 0.00 -1.56 0.00 0.00 34.95 31.85 2fpe s ARG 47 CO 0.50 0.33 0.00 0.41 -0.81 0.00 0.00 175.30 175.73 2fpe n GLY 48 N 1.42 -1.26 3.55 8.12 0.00 -0.51 -4.72 105.19 111.79 2fpe n GLY 48 Ca -0.19 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 2fpe n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fpe s VAL 49 N -3.00 3.01 0.14 1.61 -7.23 -0.13 -1.07 120.40 113.73 2fpe s VAL 49 Ca 0.00 -1.94 -0.21 0.00 -1.81 0.00 0.00 61.98 58.02 2fpe s VAL 49 Cb 0.00 -2.54 0.06 0.00 0.56 0.00 0.00 36.38 34.46 2fpe s VAL 49 CO 0.00 -0.25 0.55 0.72 -0.31 0.00 0.00 175.10 175.81 2fpe s PHE 50 N -2.05 -0.45 0.13 2.82 -0.12 -0.46 -0.31 117.98 117.54 2fpe s PHE 50 Ca 0.27 0.23 -0.31 0.00 -0.05 0.00 0.00 56.93 57.07 2fpe s PHE 50 Cb -0.07 0.47 -0.11 0.00 -0.63 0.00 0.00 43.02 42.68 2fpe s PHE 50 CO 0.16 -0.80 1.84 -2.30 -0.05 0.00 0.00 175.22 174.07 2fpe n PRO 51 N -0.29 2.82 -0.30 1.99 -0.02 -1.26 -0.43 135.00 137.52 2fpe n PRO 51 Ca -0.17 1.03 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 2fpe n PRO 51 Cb 0.64 -2.92 0.27 0.00 -0.02 0.00 0.00 33.50 31.47 2fpe n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fpe h ALA 52 N 8.53 1.18 0.00 3.55 0.00 -1.65 -0.97 119.26 129.90 2fpe h ALA 52 Ca -0.46 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2fpe h ALA 52 Cb 1.22 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2fpe h ALA 52 CO 0.95 -0.49 0.00 0.66 0.00 0.00 0.00 179.25 180.37 2fpe n TYR 53 N -5.30 0.00 1.60 0.00 4.01 -1.26 -2.54 117.16 113.67 2fpe n TYR 53 Ca 0.20 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.08 2fpe n TYR 53 Cb 0.67 0.00 0.59 0.00 -0.31 0.00 0.00 39.34 40.29 2fpe n TYR 53 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2fpe n TYR 54 N -0.94 0.04 -3.97 -0.72 4.02 -0.37 -4.86 117.16 110.36 2fpe n TYR 54 Ca 0.11 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.90 57.89 2fpe n TYR 54 Cb 0.05 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.27 2fpe n TYR 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2fpe s ALA 55 N -1.96 0.09 0.30 -0.72 0.00 -1.05 -0.48 121.76 117.95 2fpe s ALA 55 Ca 0.38 -0.64 0.11 0.00 0.00 0.00 0.00 51.96 51.80 2fpe s ALA 55 Cb 0.20 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 2fpe s ALA 55 CO 0.32 -0.25 -0.11 0.96 0.00 0.00 0.00 175.76 176.68 2fpe s ILE 56 N -2.21 2.58 0.34 0.00 -4.36 -0.06 -4.91 121.20 112.59 2fpe s ILE 56 Ca -0.09 -2.22 -0.25 0.00 -0.26 0.00 0.00 60.65 57.83 2fpe s ILE 56 Cb -0.04 -2.54 -0.10 0.00 1.25 0.00 0.00 42.46 41.02 2fpe s ILE 56 CO -0.03 -0.31 0.94 -1.61 0.24 0.00 0.00 174.94 174.16 2fpe s GLU 57 N -3.59 4.52 -0.09 0.37 2.02 -1.26 -1.20 118.70 119.47 2fpe s GLU 57 Ca 0.32 1.28 -0.02 0.00 0.02 0.00 0.00 54.97 56.57 2fpe s GLU 57 Cb -0.03 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 2fpe s GLU 57 CO 0.17 0.23 -0.01 0.08 0.02 0.00 0.00 175.26 175.75 2fpe s VAL 58 N -1.70 4.20 -0.22 2.63 1.01 -0.50 -4.85 120.40 120.96 2fpe s VAL 58 Ca 0.52 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 2fpe s VAL 58 Cb -0.17 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.45 2fpe s VAL 58 CO 0.22 0.60 1.16 -0.89 0.00 0.00 0.00 175.10 176.18 2fpe s THR 59 N -0.77 4.45 -0.52 3.92 2.01 -1.26 -4.84 115.64 118.63 2fpe s THR 59 Ca 0.12 1.74 0.00 0.00 0.31 0.00 0.00 61.69 63.85 2fpe s THR 59 Cb -0.11 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.20 2fpe s THR 59 CO 0.02 -0.23 0.13 0.29 -0.69 0.00 0.00 174.62 174.14