#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x47 s SER 2 N 0.00 -0.07 0.05 1.61 0.15 -1.26 -4.80 113.70 109.38 1x47 s SER 2 Ca 0.00 -0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.67 1x47 s SER 2 Cb 0.00 0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.37 1x47 s SER 2 CO 0.00 -0.14 -0.11 -0.55 1.20 0.00 0.00 173.24 173.64 1x47 s SER 3 N -2.30 1.27 0.15 5.45 0.15 -1.26 -5.12 113.70 112.04 1x47 s SER 3 Ca 0.11 -0.53 -0.31 0.00 0.70 0.00 0.00 55.95 55.93 1x47 s SER 3 Cb 0.01 -0.02 -0.09 0.00 -1.71 0.00 0.00 66.02 64.21 1x47 s SER 3 CO -0.04 -0.10 1.40 -0.83 1.20 0.00 0.00 173.24 174.87 1x47 s GLY 4 N -1.47 2.05 0.52 9.45 0.00 -1.26 -4.76 107.32 111.85 1x47 s GLY 4 Ca -0.04 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.85 1x47 s GLY 4 CO 0.01 2.32 0.00 1.44 0.00 0.00 0.00 173.10 176.87 1x47 n SER 5 N 3.52 -8.78 -5.00 1.64 7.64 -1.26 -4.92 113.62 106.45 1x47 n SER 5 Ca 0.10 1.12 -0.18 0.00 1.01 0.00 0.00 58.87 60.92 1x47 n SER 5 Cb 0.42 -4.83 0.01 0.00 -1.01 0.00 0.00 64.21 58.80 1x47 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x47 s SER 6 N -7.31 5.64 -0.28 6.43 0.15 -1.26 -5.12 113.70 111.96 1x47 s SER 6 Ca 0.00 -0.29 -0.12 0.00 0.70 0.00 0.00 55.95 56.24 1x47 s SER 6 Cb 0.00 -0.81 0.10 0.00 -1.71 0.00 0.00 66.02 63.60 1x47 s SER 6 CO 0.00 -0.78 0.63 -0.83 1.20 0.00 0.00 173.24 173.46 1x47 s GLY 7 N -4.33 -0.64 -0.18 9.45 0.00 -1.26 -5.16 107.32 105.20 1x47 s GLY 7 Ca 0.54 2.26 -0.15 0.00 0.00 0.00 0.00 44.72 47.37 1x47 s GLY 7 CO 0.34 2.70 0.46 1.85 0.00 0.00 0.00 173.10 178.45 1x47 s GLU 8 N 2.34 0.53 0.12 2.90 2.56 -1.26 -4.75 118.70 121.15 1x47 s GLU 8 Ca -0.07 0.67 0.00 0.00 0.00 0.00 0.00 54.97 55.57 1x47 s GLU 8 Cb -0.09 0.23 -0.04 0.00 2.00 0.00 0.00 34.13 36.22 1x47 s GLU 8 CO -0.18 -0.08 0.01 -0.06 -0.56 0.00 0.00 175.26 174.38 1x47 s PHE 9 N 0.41 0.91 0.03 5.30 0.08 -1.26 -5.17 117.98 118.28 1x47 s PHE 9 Ca -0.01 -1.09 0.03 0.00 0.12 0.00 0.00 56.93 55.97 1x47 s PHE 9 Cb -0.04 -0.53 -0.02 0.00 -0.57 0.00 0.00 43.02 41.86 1x47 s PHE 9 CO -0.01 -0.35 -0.09 0.54 -0.10 0.00 0.00 175.22 175.21 1x47 s VAL 10 N -3.85 0.70 -0.04 -0.44 0.11 -1.26 -5.07 120.40 110.55 1x47 s VAL 10 Ca 0.19 -0.84 -0.06 0.00 -2.93 0.00 0.00 61.98 58.34 1x47 s VAL 10 Cb 0.07 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1x47 s VAL 10 CO -0.01 -0.13 -0.12 -0.38 -3.33 0.00 0.00 175.10 171.13 1x47 n ILE 11 N 1.98 0.83 0.00 7.04 -0.00 -1.26 -5.08 119.36 122.87 1x47 n ILE 11 Ca -0.19 0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.83 1x47 n ILE 11 Cb 0.56 -1.74 0.00 0.00 -0.00 0.00 0.00 39.64 38.46 1x47 n ILE 11 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1x47 n ASN 12 N -3.43 0.00 -4.82 4.38 2.85 -1.26 -5.17 115.26 107.81 1x47 n ASN 12 Ca -0.05 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.11 1x47 n ASN 12 Cb 0.18 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.25 1x47 n ASN 12 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1x47 s PRO 13 N 0.00 2.98 0.13 1.20 0.04 -1.26 -4.96 135.00 133.13 1x47 s PRO 13 Ca 0.00 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1x47 s PRO 13 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1x47 s PRO 13 CO 0.00 -1.07 0.00 0.09 0.04 0.00 0.00 177.00 176.06 1x47 n ASN 14 N -3.04 -0.81 -4.53 6.66 4.13 -1.26 -5.15 115.26 111.27 1x47 n ASN 14 Ca 0.08 0.25 -0.28 0.00 1.68 0.00 0.00 54.58 56.30 1x47 n ASN 14 Cb 0.53 0.96 -0.09 0.00 -1.54 0.00 0.00 39.78 39.64 1x47 n ASN 14 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1x47 s GLY 15 N -3.43 2.60 -0.34 7.41 0.00 -1.26 -5.12 107.32 107.19 1x47 s GLY 15 Ca 0.00 -1.43 -0.14 0.00 0.00 0.00 0.00 44.72 43.15 1x47 s GLY 15 CO 0.00 -2.02 0.33 0.54 0.00 0.00 0.00 173.10 171.95 1x47 s LYS 16 N -3.80 3.59 0.51 2.90 3.01 -1.26 -4.99 119.74 119.70 1x47 s LYS 16 Ca 0.24 -0.44 0.04 0.00 -1.01 0.00 0.00 55.97 54.80 1x47 s LYS 16 Cb 0.06 -3.79 0.04 0.00 -1.01 0.00 0.00 37.83 33.12 1x47 s LYS 16 CO 0.12 -0.48 0.32 0.43 0.51 0.00 0.00 175.35 176.25 1x47 n SER 17 N 5.31 2.76 -0.37 2.83 7.64 -1.26 -4.88 113.62 125.66 1x47 n SER 17 Ca -0.10 -2.83 0.03 0.00 1.01 0.00 0.00 58.87 56.98 1x47 n SER 17 Cb 0.50 0.02 0.18 0.00 -1.01 0.00 0.00 64.21 63.90 1x47 n SER 17 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1x47 h GLU 18 N 0.00 1.11 -0.32 1.43 4.57 -1.97 1.20 114.58 120.60 1x47 h GLU 18 Ca -0.34 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 1x47 h GLU 18 Cb 1.20 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1x47 h GLU 18 CO 0.54 0.73 0.13 -0.39 -1.18 0.00 0.00 179.01 178.84 1x47 h VAL 19 N 1.14 1.12 0.00 0.32 -1.51 -1.88 0.40 116.25 115.85 1x47 h VAL 19 Ca 0.44 -0.38 -0.02 0.00 -1.23 0.00 0.00 66.70 65.51 1x47 h VAL 19 Cb 0.21 0.74 -0.00 0.00 -2.13 0.00 0.00 31.29 30.11 1x47 h VAL 19 CO -0.19 0.15 -0.10 0.00 -1.23 0.00 0.00 177.57 176.20 1x47 h ILE 21 N -1.00 0.00 -0.98 0.00 2.04 0.16 0.22 117.51 117.94 1x47 h ILE 21 Ca -0.02 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.15 1x47 h ILE 21 Cb 0.79 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.69 1x47 h ILE 21 CO -0.01 0.00 0.21 0.25 0.00 0.00 0.00 178.15 178.59 1x47 h LEU 22 N -0.54 -0.19 0.81 1.44 7.12 -0.36 0.28 115.31 123.87 1x47 h LEU 22 Ca 0.01 0.27 -0.04 0.00 0.13 0.00 0.00 57.88 58.25 1x47 h LEU 22 Cb 0.58 0.40 0.01 0.00 -0.53 0.00 0.00 40.66 41.12 1x47 h LEU 22 CO -0.29 -0.36 -0.39 -0.74 -0.13 0.00 0.00 178.44 176.53 1x47 h HIS 23 N 0.03 -1.01 -0.11 1.25 2.76 -0.89 -0.47 115.15 116.72 1x47 h HIS 23 Ca 0.67 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.83 1x47 h HIS 23 Cb 1.54 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 30.82 1x47 h HIS 23 CO -0.33 -0.63 -0.06 0.93 -1.30 0.00 0.00 177.93 176.54 1x47 h GLU 24 N -1.17 -0.00 -0.87 5.26 4.39 0.25 1.09 114.58 123.53 1x47 h GLU 24 Ca -0.11 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.81 1x47 h GLU 24 Cb 0.83 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.36 1x47 h GLU 24 CO 0.18 -0.00 0.32 -0.92 -1.16 0.00 0.00 179.01 177.43 1x47 h TYR 25 N -0.00 0.52 0.94 4.33 5.03 -1.21 1.50 116.97 128.07 1x47 h TYR 25 Ca 0.02 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.32 1x47 h TYR 25 Cb 0.05 -0.09 0.01 0.00 1.55 0.00 0.00 36.73 38.24 1x47 h TYR 25 CO -0.94 -0.10 -0.45 0.52 -1.32 0.00 0.00 178.16 175.87 1x47 h MET 26 N 0.33 -1.22 0.00 1.82 2.86 0.13 0.82 114.93 119.67 1x47 h MET 26 Ca 0.54 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 58.26 1x47 h MET 26 Cb 1.04 0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1x47 h MET 26 CO -0.56 -0.81 0.00 0.94 1.06 0.00 0.00 176.91 177.54 1x47 n GLN 27 N -5.47 0.20 -0.09 1.72 7.27 0.34 0.21 117.38 121.56 1x47 n GLN 27 Ca -0.16 0.15 -0.23 0.00 0.07 0.00 0.00 57.00 56.84 1x47 n GLN 27 Cb 0.50 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.53 1x47 n GLN 27 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1x47 n ARG 28 N -1.30 0.62 -0.12 3.69 0.63 0.50 -3.33 116.66 117.36 1x47 n ARG 28 Ca 0.07 0.42 -0.25 0.00 -0.92 0.00 0.00 57.85 57.17 1x47 n ARG 28 Cb 0.12 -1.68 -0.10 0.00 0.45 0.00 0.00 32.46 31.25 1x47 n ARG 28 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1x47 n VAL 29 N -4.09 1.53 -0.01 5.15 0.24 0.28 -4.55 118.33 116.87 1x47 n VAL 29 Ca -0.37 -0.20 -0.17 0.00 -2.04 0.00 0.00 64.34 61.57 1x47 n VAL 29 Cb 0.83 -1.99 -0.11 0.00 -1.47 0.00 0.00 33.84 31.10 1x47 n VAL 29 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1x47 h LEU 30 N -1.00 0.44 -1.27 1.34 3.38 0.24 -3.48 115.31 114.95 1x47 h LEU 30 Ca -0.51 -0.74 -0.10 0.00 0.09 0.00 0.00 57.88 56.62 1x47 h LEU 30 Cb 1.42 -0.13 0.04 0.00 0.09 0.00 0.00 40.66 42.08 1x47 h LEU 30 CO -0.31 1.13 -0.19 0.29 0.09 0.00 0.00 178.44 179.45 1x47 n LYS 31 N -4.31 -2.04 -3.84 1.13 5.02 0.46 -4.91 118.16 109.66 1x47 n LYS 31 Ca -0.10 0.23 -0.12 0.00 -2.02 0.00 0.00 58.31 56.30 1x47 n LYS 31 Cb 0.61 -3.41 -0.10 0.00 -0.02 0.00 0.00 35.03 32.10 1x47 n LYS 31 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1x47 s VAL 32 N -3.09 0.05 -0.30 -0.18 -7.23 -1.25 -4.90 120.40 103.50 1x47 s VAL 32 Ca 0.11 -0.45 -0.25 0.00 -1.81 0.00 0.00 61.98 59.58 1x47 s VAL 32 Cb -0.05 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.50 1x47 s VAL 32 CO 0.20 -0.25 0.87 -0.13 -0.31 0.00 0.00 175.10 175.48 1x47 s ARG 33 N -0.90 4.01 0.19 4.82 3.00 -1.26 -3.82 118.95 124.99 1x47 s ARG 33 Ca -0.10 0.75 -0.30 0.00 0.00 0.00 0.00 55.73 56.09 1x47 s ARG 33 Cb -0.05 -3.72 -0.08 0.00 0.00 0.00 0.00 34.95 31.10 1x47 s ARG 33 CO 0.01 -0.72 1.12 -1.25 0.00 0.00 0.00 175.30 174.46 1x47 s PRO 34 N 3.12 4.58 -0.17 3.54 0.04 -1.26 -4.55 135.00 140.31 1x47 s PRO 34 Ca 0.36 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 1x47 s PRO 34 Cb -0.14 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1x47 s PRO 34 CO 0.13 0.06 0.48 0.08 0.04 0.00 0.00 177.00 177.78 1x47 s VAL 35 N -0.29 5.16 -0.52 -0.36 1.01 0.14 -4.93 120.40 120.60 1x47 s VAL 35 Ca 0.49 0.90 -0.19 0.00 0.00 0.00 0.00 61.98 63.18 1x47 s VAL 35 Cb -0.30 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1x47 s VAL 35 CO 0.36 0.25 0.65 -0.31 0.00 0.00 0.00 175.10 176.05 1x47 s TYR 36 N 1.14 3.03 0.10 5.22 1.51 -1.26 0.24 117.35 127.33 1x47 s TYR 36 Ca 0.24 -0.56 -0.12 0.00 -1.01 0.00 0.00 57.07 55.62 1x47 s TYR 36 Cb -0.15 -3.61 -0.06 0.00 -0.11 0.00 0.00 41.96 38.03 1x47 s TYR 36 CO 0.09 -1.08 0.46 -0.80 -1.11 0.00 0.00 175.55 173.11 1x47 s ASN 37 N 2.80 6.72 0.07 2.29 0.01 0.53 -4.91 114.94 122.45 1x47 s ASN 37 Ca 0.15 0.91 0.06 0.00 -0.71 0.00 0.00 52.86 53.27 1x47 s ASN 37 Cb -0.19 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 1x47 s ASN 37 CO 0.12 0.16 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.33 1x47 s PHE 38 N -1.40 1.46 0.30 2.20 0.08 -1.26 0.19 117.98 119.54 1x47 s PHE 38 Ca 0.34 -0.41 -0.15 0.00 0.12 0.00 0.00 56.93 56.83 1x47 s PHE 38 Cb -0.14 -0.83 0.02 0.00 -0.57 0.00 0.00 43.02 41.50 1x47 s PHE 38 CO 0.18 0.10 0.64 -0.59 -0.10 0.00 0.00 175.22 175.45 1x47 s PHE 39 N -1.09 0.18 0.62 0.36 -0.12 -0.86 -4.98 117.98 112.09 1x47 s PHE 39 Ca 0.02 -0.63 -0.08 0.00 -0.05 0.00 0.00 56.93 56.19 1x47 s PHE 39 Cb -0.09 0.50 -0.00 0.00 -0.63 0.00 0.00 43.02 42.80 1x47 s PHE 39 CO 0.03 -1.23 0.96 -1.83 -0.05 0.00 0.00 175.22 173.10 1x47 s GLU 40 N -3.50 3.05 -0.09 1.99 -1.05 -1.26 -2.78 118.70 115.05 1x47 s GLU 40 Ca 0.17 0.25 0.02 0.00 -0.15 0.00 0.00 54.97 55.26 1x47 s GLU 40 Cb -0.04 -2.18 -0.02 0.00 -0.44 0.00 0.00 34.13 31.45 1x47 s GLU 40 CO 0.10 -0.73 -0.14 0.00 0.95 0.00 0.00 175.26 175.44 1x47 h GLU 42 N 6.10 0.78 -6.64 0.00 5.08 -1.93 -3.42 114.58 114.55 1x47 h GLU 42 Ca -0.35 -0.09 -0.51 0.00 -1.00 0.00 0.00 59.36 57.42 1x47 h GLU 42 Cb 1.19 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1x47 h GLU 42 CO 0.53 0.59 0.22 1.21 -1.00 0.00 0.00 179.01 180.56 1x47 s ASN 43 N -6.55 7.34 0.49 1.42 2.47 -1.26 -4.95 114.94 113.90 1x47 s ASN 43 Ca -0.10 1.67 0.28 0.00 0.42 0.00 0.00 52.86 55.14 1x47 s ASN 43 Cb 0.17 -2.51 0.84 0.00 -1.45 0.00 0.00 41.25 38.30 1x47 s ASN 43 CO 0.77 0.11 1.79 1.55 -3.72 0.00 0.00 177.10 177.60 1x47 h PRO 44 N 3.86 0.00 0.09 0.43 0.13 -2.01 -3.31 132.00 131.18 1x47 h PRO 44 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1x47 h PRO 44 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1x47 h PRO 44 CO 0.66 0.03 -0.31 0.77 -0.23 0.00 0.00 178.00 178.91 1x47 h SER 45 N 0.00 -0.94 -4.01 1.44 0.02 -1.94 -3.35 113.55 104.77 1x47 h SER 45 Ca -0.00 0.10 -0.63 0.00 -0.84 0.00 0.00 61.79 60.41 1x47 h SER 45 Cb 0.77 0.34 -0.41 0.00 0.14 0.00 0.00 62.40 63.25 1x47 h SER 45 CO 0.00 -0.34 -0.68 -1.61 -1.14 0.00 0.00 176.83 173.07 1x47 s GLU 46 N -4.64 1.67 0.40 3.45 2.02 -1.25 -4.74 118.70 115.62 1x47 s GLU 46 Ca -0.10 -2.28 0.22 0.00 0.02 0.00 0.00 54.97 52.83 1x47 s GLU 46 Cb 0.03 -3.01 0.63 0.00 0.10 0.00 0.00 34.13 31.88 1x47 s GLU 46 CO 0.36 -1.09 1.70 -1.00 0.02 0.00 0.00 175.26 175.25 1x47 h PRO 47 N 6.82 0.00 -6.32 0.39 0.13 -1.70 -3.40 132.00 127.90 1x47 h PRO 47 Ca -0.06 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.49 1x47 h PRO 47 Cb 0.93 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.97 1x47 h PRO 47 CO 0.60 0.26 0.81 -0.06 -0.23 0.00 0.00 178.00 179.38 1x47 s PHE 48 N -3.40 2.70 0.05 1.56 0.40 -1.21 -2.65 117.98 115.43 1x47 s PHE 48 Ca 0.02 0.29 0.08 0.00 -0.60 0.00 0.00 56.93 56.73 1x47 s PHE 48 Cb 0.09 -4.33 -0.03 0.00 0.51 0.00 0.00 43.02 39.26 1x47 s PHE 48 CO 0.67 -1.45 -0.22 0.20 0.70 0.00 0.00 175.22 175.12 1x47 s GLY 49 N 2.84 1.17 -0.01 4.36 0.00 -1.12 -0.47 107.32 114.09 1x47 s GLY 49 Ca 0.39 -1.11 -0.08 0.00 0.00 0.00 0.00 44.72 43.92 1x47 s GLY 49 CO 0.24 -1.03 0.17 0.00 0.00 0.00 0.00 173.10 172.48 1x47 s ALA 50 N -0.83 -0.41 0.13 3.20 0.00 -0.36 -2.03 121.76 121.46 1x47 s ALA 50 Ca 0.08 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.11 1x47 s ALA 50 Cb -0.09 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1x47 s ALA 50 CO 0.02 -0.20 -0.12 -1.54 0.00 0.00 0.00 175.76 173.92 1x47 s SER 51 N -1.18 1.87 -0.39 0.00 1.04 0.49 -1.46 113.70 114.07 1x47 s SER 51 Ca -0.13 -0.86 -0.04 0.00 0.48 0.00 0.00 55.95 55.40 1x47 s SER 51 Cb -0.06 -0.04 0.09 0.00 0.10 0.00 0.00 66.02 66.10 1x47 s SER 51 CO 0.02 -0.21 0.19 -0.69 0.98 0.00 0.00 173.24 173.53 1x47 s VAL 52 N -2.48 3.45 -0.25 5.02 1.01 -0.15 -0.34 120.40 126.67 1x47 s VAL 52 Ca 0.10 -1.80 -0.13 0.00 0.00 0.00 0.00 61.98 60.15 1x47 s VAL 52 Cb -0.03 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1x47 s VAL 52 CO 0.02 -0.56 0.30 0.42 0.00 0.00 0.00 175.10 175.28 1x47 s THR 53 N 1.22 5.24 -0.52 3.92 -4.23 0.14 -1.96 115.64 119.46 1x47 s THR 53 Ca 0.05 0.45 -0.17 0.00 -1.18 0.00 0.00 61.69 60.84 1x47 s THR 53 Cb -0.22 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 70.06 1x47 s THR 53 CO -0.02 0.24 0.54 -0.63 -0.54 0.00 0.00 174.62 174.21 1x47 s ILE 54 N 1.60 5.04 -1.21 2.99 1.01 0.49 0.25 121.20 131.38 1x47 s ILE 54 Ca 0.13 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1x47 s ILE 54 Cb -0.15 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.04 1x47 s ILE 54 CO 0.08 -0.80 0.00 -0.67 0.00 0.00 0.00 174.94 173.56 1x47 n ASP 55 N 5.72 -5.32 0.00 3.58 2.03 -1.26 -0.67 116.55 120.64 1x47 n ASP 55 Ca -0.10 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1x47 n ASP 55 Cb 0.43 -3.82 0.00 0.00 -0.72 0.00 0.00 41.12 37.02 1x47 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x47 n GLY 56 N -0.33 2.01 3.67 0.27 0.00 -1.26 -5.06 105.19 104.50 1x47 n GLY 56 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1x47 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x47 s VAL 57 N -2.04 4.64 0.23 1.61 1.01 0.15 -4.64 120.40 121.37 1x47 s VAL 57 Ca 0.00 1.95 -0.30 0.00 0.00 0.00 0.00 61.98 63.63 1x47 s VAL 57 Cb 0.00 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 1x47 s VAL 57 CO 0.00 -0.08 1.09 -0.89 0.00 0.00 0.00 175.10 175.22 1x47 s THR 58 N 2.61 3.71 0.00 3.92 2.01 -1.26 0.18 115.64 126.82 1x47 s THR 58 Ca 0.48 1.60 0.00 0.00 0.31 0.00 0.00 61.69 64.08 1x47 s THR 58 Cb -0.18 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.31 1x47 s THR 58 CO 0.14 0.33 0.00 -1.22 -0.69 0.00 0.00 174.62 173.18 1x47 n TYR 59 N 1.77 0.00 -4.20 4.92 4.02 -0.83 -4.90 117.16 117.94 1x47 n TYR 59 Ca 0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 1x47 n TYR 59 Cb 0.46 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.66 1x47 n TYR 59 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x47 s GLY 60 N -1.56 1.79 0.02 2.72 0.00 -1.25 -4.80 107.32 104.24 1x47 s GLY 60 Ca 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 44.72 43.84 1x47 s GLY 60 CO 0.00 0.03 0.09 -1.35 0.00 0.00 0.00 173.10 171.87 1x47 s SER 61 N 0.49 0.13 0.06 1.64 1.04 -1.26 -0.98 113.70 114.82 1x47 s SER 61 Ca -0.01 -0.40 -0.28 0.00 0.48 0.00 0.00 55.95 55.75 1x47 s SER 61 Cb -0.14 0.19 0.10 0.00 0.10 0.00 0.00 66.02 66.27 1x47 s SER 61 CO 0.02 -0.42 1.16 -0.83 0.98 0.00 0.00 173.24 174.15 1x47 s GLY 62 N -1.72 -0.26 0.43 7.32 0.00 -0.54 -4.74 107.32 107.81 1x47 s GLY 62 Ca -0.11 0.33 0.03 0.00 0.00 0.00 0.00 44.72 44.97 1x47 s GLY 62 CO -0.01 0.95 0.06 -0.51 0.00 0.00 0.00 173.10 173.59 1x47 s THR 63 N -2.60 1.02 0.15 0.90 -4.23 -1.26 -1.22 115.64 108.39 1x47 s THR 63 Ca 0.16 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.53 1x47 s THR 63 Cb 0.02 -2.43 0.05 0.00 1.34 0.00 0.00 72.50 71.48 1x47 s THR 63 CO -0.01 0.00 0.70 0.00 -0.54 0.00 0.00 174.62 174.77 1x47 n ALA 64 N -0.99 -1.79 -0.09 3.99 0.00 0.38 -4.53 120.51 117.48 1x47 n ALA 64 Ca -0.10 -0.73 -0.14 0.00 0.00 0.00 0.00 53.44 52.47 1x47 n ALA 64 Cb 0.66 0.43 -0.04 0.00 0.00 0.00 0.00 19.45 20.50 1x47 n ALA 64 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x47 h SER 65 N 1.37 0.93 -0.76 0.00 0.02 -1.85 -3.20 113.55 110.06 1x47 h SER 65 Ca -0.19 -0.52 -0.58 0.00 -0.84 0.00 0.00 61.79 59.67 1x47 h SER 65 Cb 0.83 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 1x47 h SER 65 CO 0.26 1.27 -0.34 -0.55 -1.14 0.00 0.00 176.83 176.33 1x47 s SER 66 N -6.85 4.63 -0.05 3.07 0.15 -1.26 -4.62 113.70 108.78 1x47 s SER 66 Ca -0.11 -1.19 -0.19 0.00 0.70 0.00 0.00 55.95 55.15 1x47 s SER 66 Cb 0.10 0.23 -0.14 0.00 -1.71 0.00 0.00 66.02 64.50 1x47 s SER 66 CO 0.88 -0.99 0.80 0.50 1.20 0.00 0.00 173.24 175.62 1x47 h LYS 67 N 0.87 -0.28 -0.31 5.44 3.64 -1.89 -2.91 116.57 121.13 1x47 h LYS 67 Ca -0.38 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.05 1x47 h LYS 67 Cb 1.29 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.12 1x47 h LYS 67 CO 0.59 0.08 -0.35 0.87 -2.27 0.00 0.00 179.45 178.37 1x47 h LYS 68 N -0.93 -0.20 -1.00 1.90 1.57 -1.98 0.24 116.57 116.18 1x47 h LYS 68 Ca -0.03 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1x47 h LYS 68 Cb 0.49 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.72 1x47 h LYS 68 CO 0.05 -0.14 -0.57 1.28 -0.57 0.00 0.00 179.45 179.50 1x47 n LEU 69 N -4.36 -1.02 -0.13 2.94 7.99 -1.25 0.19 117.00 121.35 1x47 n LEU 69 Ca -0.02 1.77 -0.09 0.00 -0.01 0.00 0.00 56.01 57.66 1x47 n LEU 69 Cb 0.20 -0.25 -0.03 0.00 -0.11 0.00 0.00 43.42 43.24 1x47 n LEU 69 CO -0.01 -1.46 0.60 0.00 -1.51 0.00 0.00 177.39 175.01 1x47 h ALA 70 N 0.58 -0.33 -0.28 -1.18 0.00 -0.96 0.54 119.26 117.64 1x47 h ALA 70 Ca 0.18 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1x47 h ALA 70 Cb 0.43 0.84 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1x47 h ALA 70 CO -0.94 -0.81 -0.01 -0.22 0.00 0.00 0.00 179.25 177.26 1x47 h LYS 71 N -0.29 0.06 -0.95 0.00 3.64 0.31 0.38 116.57 119.71 1x47 h LYS 71 Ca 0.16 -0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.71 1x47 h LYS 71 Cb 0.57 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 1x47 h LYS 71 CO -0.57 0.04 0.61 -0.91 -2.27 0.00 0.00 179.45 176.34 1x47 h ASN 72 N 0.07 0.65 0.09 4.20 2.35 0.43 0.25 115.58 123.61 1x47 h ASN 72 Ca 0.13 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1x47 h ASN 72 Cb 0.18 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1x47 h ASN 72 CO -0.24 0.27 -0.04 0.11 -1.65 0.00 0.00 177.43 175.88 1x47 h LYS 73 N 0.66 -0.11 -0.56 0.81 1.57 0.22 0.71 116.57 119.86 1x47 h LYS 73 Ca 0.51 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.42 1x47 h LYS 73 Cb 0.93 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.16 1x47 h LYS 73 CO -0.27 0.36 -0.11 0.00 -0.57 0.00 0.00 179.45 178.86 1x47 h ALA 74 N 0.19 0.42 -0.01 3.86 0.00 0.11 1.47 119.26 125.30 1x47 h ALA 74 Ca -0.01 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1x47 h ALA 74 Cb 0.52 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1x47 h ALA 74 CO 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 179.25 178.84 1x47 h ALA 75 N 1.55 0.02 -0.38 0.00 0.00 -0.58 -2.01 119.26 117.86 1x47 h ALA 75 Ca 0.28 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1x47 h ALA 75 Cb 0.43 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1x47 h ALA 75 CO -0.56 -0.24 0.35 -0.09 0.00 0.00 0.00 179.25 178.71 1x47 h ARG 76 N -0.44 0.00 0.28 0.00 2.43 0.16 -0.95 114.38 115.87 1x47 h ARG 76 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1x47 h ARG 76 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1x47 h ARG 76 CO 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 179.97 178.33 1x47 h ALA 77 N 1.67 -0.41 -0.83 2.80 0.00 0.23 -3.02 119.26 119.69 1x47 h ALA 77 Ca 0.18 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.21 1x47 h ALA 77 Cb 0.87 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 1x47 h ALA 77 CO -0.00 -0.38 0.03 1.15 0.00 0.00 0.00 179.25 180.04 1x47 h THR 78 N -0.99 0.25 -0.01 0.00 2.02 -0.68 0.69 112.91 114.19 1x47 h THR 78 Ca -0.04 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1x47 h THR 78 Cb 0.29 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 66.79 1x47 h THR 78 CO 0.06 0.02 -0.53 -0.07 0.37 0.00 0.00 175.52 175.37 1x47 h LEU 79 N 0.09 -1.65 -0.65 2.58 3.38 -1.28 -1.35 115.31 116.43 1x47 h LEU 79 Ca 0.47 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.74 1x47 h LEU 79 Cb 0.88 0.63 -0.12 0.00 0.09 0.00 0.00 40.66 42.14 1x47 h LEU 79 CO -0.74 -0.52 -0.35 -0.33 0.09 0.00 0.00 178.44 176.60 1x47 h GLU 80 N -0.67 -0.14 -0.70 1.13 5.08 -0.75 1.51 114.58 120.04 1x47 h GLU 80 Ca 0.02 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 1x47 h GLU 80 Cb 0.72 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.87 1x47 h GLU 80 CO -0.36 -0.09 -0.28 0.82 -1.00 0.00 0.00 179.01 178.09 1x47 h ILE 81 N -0.14 0.18 0.00 3.13 2.04 -0.46 -3.00 117.51 119.27 1x47 h ILE 81 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1x47 h ILE 81 Cb 0.56 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1x47 h ILE 81 CO -0.72 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.61 1x47 n LEU 82 N -5.47 0.36 -4.63 1.44 4.77 0.64 -4.64 117.00 109.48 1x47 n LEU 82 Ca 0.07 0.60 -0.43 0.00 -0.03 0.00 0.00 56.01 56.22 1x47 n LEU 82 Cb 0.37 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1x47 n LEU 82 CO -0.02 -0.40 1.08 -0.63 -1.33 0.00 0.00 177.39 176.09 1x47 s ILE 83 N -1.52 4.24 0.19 -0.08 1.01 0.48 -4.89 121.20 120.63 1x47 s ILE 83 Ca 0.00 1.38 0.04 0.00 0.00 0.00 0.00 60.65 62.07 1x47 s ILE 83 Cb 0.00 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 38.05 1x47 s ILE 83 CO 0.00 -0.58 1.43 1.55 0.00 0.00 0.00 174.94 177.35 1x47 h PRO 84 N 9.04 0.18 -2.51 2.79 0.13 -1.82 -3.33 132.00 136.48 1x47 h PRO 84 Ca -0.24 -0.18 -0.60 0.00 -0.87 0.00 0.00 66.00 64.11 1x47 h PRO 84 Cb 1.08 0.05 -0.41 0.00 0.13 0.00 0.00 31.00 31.85 1x47 h PRO 84 CO 1.05 0.89 -0.68 -0.25 -0.23 0.00 0.00 178.00 178.78 1x47 n ASP 85 N -3.71 2.69 -0.10 1.44 9.92 -1.26 -4.88 116.55 120.65 1x47 n ASP 85 Ca -0.03 -3.18 -0.18 0.00 -0.53 0.00 0.00 54.79 50.88 1x47 n ASP 85 Cb 0.75 -0.69 -0.08 0.00 -0.64 0.00 0.00 41.12 40.46 1x47 n ASP 85 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1x47 n PHE 86 N 1.50 0.85 -1.36 1.24 7.35 -1.26 -4.94 117.46 120.84 1x47 n PHE 86 Ca 0.25 0.37 -0.33 0.00 -0.76 0.00 0.00 57.45 56.98 1x47 n PHE 86 Cb 0.41 -0.98 0.10 0.00 0.35 0.00 0.00 39.48 39.35 1x47 n PHE 86 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1x47 s VAL 87 N -2.37 2.56 -0.36 -2.13 1.01 -1.26 -5.02 120.40 112.84 1x47 s VAL 87 Ca -0.26 0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1x47 s VAL 87 Cb 0.06 -2.71 0.15 0.00 0.00 0.00 0.00 36.38 33.88 1x47 s VAL 87 CO 0.47 -0.18 0.35 -0.75 0.00 0.00 0.00 175.10 175.00 1x47 s LYS 88 N -4.17 0.60 -0.03 2.72 2.20 -1.26 -5.03 119.74 114.77 1x47 s LYS 88 Ca 0.70 -0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 55.45 1x47 s LYS 88 Cb -0.25 -0.78 0.01 0.00 -1.51 0.00 0.00 37.83 35.30 1x47 s LYS 88 CO 0.48 -1.18 0.05 0.94 -0.36 0.00 0.00 175.35 175.27 1x47 n GLN 89 N 4.33 -1.27 0.07 4.03 0.00 -1.26 -5.08 117.38 118.20 1x47 n GLN 89 Ca 0.10 1.31 0.00 0.00 -0.00 0.00 0.00 57.00 58.41 1x47 n GLN 89 Cb 0.44 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.76 1x47 n GLN 89 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1x47 n THR 90 N 0.46 0.24 -2.91 1.69 -1.04 -1.26 -5.10 114.28 106.37 1x47 n THR 90 Ca -0.08 0.08 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1x47 n THR 90 Cb 0.12 -0.65 0.01 0.00 -1.82 0.00 0.00 70.33 67.99 1x47 n THR 90 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1x47 n SER 91 N -3.07 -7.85 -4.25 8.00 2.88 -1.26 -4.99 113.62 103.08 1x47 n SER 91 Ca 0.00 0.42 -0.35 0.00 -1.33 0.00 0.00 58.87 57.60 1x47 n SER 91 Cb 0.00 -5.25 -0.14 0.00 -0.75 0.00 0.00 64.21 58.07 1x47 n SER 91 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1x47 s GLU 92 N -2.68 2.88 -0.03 -1.46 0.41 -1.26 -5.00 118.70 111.57 1x47 s GLU 92 Ca 0.22 -0.96 -0.07 0.00 -0.41 0.00 0.00 54.97 53.74 1x47 s GLU 92 Cb -0.06 -3.13 -0.04 0.00 -1.78 0.00 0.00 34.13 29.12 1x47 s GLU 92 CO 0.77 -0.43 0.45 0.66 -0.49 0.00 0.00 175.26 176.22 1x47 h SER 93 N 8.08 -0.22 0.00 -0.19 4.64 -2.00 -3.38 113.55 120.48 1x47 h SER 93 Ca -0.31 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1x47 h SER 93 Cb 1.11 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1x47 h SER 93 CO 0.58 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 1x47 n GLY 94 N 0.77 -1.70 3.56 -0.77 0.00 -1.26 -3.51 105.19 102.27 1x47 n GLY 94 Ca -0.03 0.36 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 1x47 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x47 s PRO 95 N -0.48 3.04 -0.04 1.61 0.04 -1.26 -4.92 135.00 132.98 1x47 s PRO 95 Ca 0.00 -0.46 -0.00 0.00 0.04 0.00 0.00 61.00 60.57 1x47 s PRO 95 Cb 0.00 -4.95 0.03 0.00 0.04 0.00 0.00 34.50 29.62 1x47 s PRO 95 CO 0.00 -2.68 0.00 -1.54 0.04 0.00 0.00 177.00 172.82 1x47 s SER 96 N 6.30 0.91 -0.82 6.66 1.04 -1.23 -4.76 113.70 121.80 1x47 s SER 96 Ca 0.56 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.84 1x47 s SER 96 Cb -0.05 -0.30 0.21 0.00 0.10 0.00 0.00 66.02 65.98 1x47 s SER 96 CO 0.01 -0.14 0.73 -0.44 0.98 0.00 0.00 173.24 174.39 1x47 s SER 97 N 1.41 6.45 0.00 7.02 0.01 -1.26 -5.13 113.70 122.19 1x47 s SER 97 Ca -0.04 -2.88 0.00 0.00 1.31 0.00 0.00 55.95 54.34 1x47 s SER 97 Cb -0.13 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1x47 s SER 97 CO -0.03 -0.48 0.02 0.61 0.41 0.00 0.00 173.24 173.77