#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 5.86 -0.19 1.61 0.15 -1.26 -5.08 113.70 114.79 1x47 s SER 2 Ca 0.00 0.32 -0.22 0.00 0.70 0.00 0.00 55.95 56.75 1x47 s SER 2 Cb 0.00 -1.80 -0.02 0.00 -1.71 0.00 0.00 66.02 62.49 1x47 s SER 2 CO 0.00 0.39 0.70 -0.55 1.20 0.00 0.00 173.24 174.99 1x47 s SER 3 N -0.95 6.78 1.39 5.45 0.15 -1.26 -4.88 113.70 120.39 1x47 s SER 3 Ca 0.14 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1x47 s SER 3 Cb -0.12 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1x47 s SER 3 CO 0.03 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1x47 n GLY 4 N 3.68 2.52 3.47 9.45 0.00 -1.26 -4.86 105.19 118.19 1x47 n GLY 4 Ca 0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1x47 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x47 s SER 5 N -4.00 -0.10 0.06 1.61 0.01 -1.26 -5.18 113.70 104.83 1x47 s SER 5 Ca 0.00 -0.74 -0.13 0.00 1.31 0.00 0.00 55.95 56.38 1x47 s SER 5 Cb 0.00 0.52 0.02 0.00 0.21 0.00 0.00 66.02 66.77 1x47 s SER 5 CO 0.00 -1.01 0.29 -0.44 0.41 0.00 0.00 173.24 172.49 1x47 s SER 6 N -2.95 -0.09 0.10 2.44 0.01 -1.26 -5.17 113.70 106.77 1x47 s SER 6 Ca 0.16 -0.27 0.07 0.00 1.31 0.00 0.00 55.95 57.22 1x47 s SER 6 Cb 0.01 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 1x47 s SER 6 CO 0.01 -0.64 -0.10 -0.83 0.41 0.00 0.00 173.24 172.09 1x47 s GLY 7 N -2.22 1.78 0.14 3.44 0.00 -1.26 -5.03 107.32 104.17 1x47 s GLY 7 Ca -0.03 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1x47 s GLY 7 CO -0.05 -1.20 0.00 1.18 0.00 0.00 0.00 173.10 173.03 1x47 n GLU 8 N 0.78 0.00 -4.06 2.90 -0.58 -1.26 -5.13 120.64 113.29 1x47 n GLU 8 Ca -0.14 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.52 1x47 n GLU 8 Cb 0.52 -0.38 -0.09 0.00 -0.57 0.00 0.00 31.44 30.92 1x47 n GLU 8 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1x47 s PHE 9 N -2.00 0.60 -0.81 -0.32 0.08 -1.26 -5.10 117.98 109.17 1x47 s PHE 9 Ca 0.00 -1.03 0.02 0.00 0.12 0.00 0.00 56.93 56.04 1x47 s PHE 9 Cb 0.00 -0.33 0.21 0.00 -0.57 0.00 0.00 43.02 42.33 1x47 s PHE 9 CO 0.00 -0.52 0.70 0.28 -0.10 0.00 0.00 175.22 175.58 1x47 n VAL 10 N -0.06 2.54 -2.14 -0.44 0.31 -1.26 -5.07 118.33 112.22 1x47 n VAL 10 Ca -0.09 -5.07 -0.33 0.00 -0.01 0.00 0.00 64.34 58.84 1x47 n VAL 10 Cb 0.63 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 1x47 n VAL 10 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1x47 s ILE 11 N -1.59 3.90 -0.28 2.52 -0.00 -1.26 -5.05 121.20 119.44 1x47 s ILE 11 Ca 0.28 0.93 0.01 0.00 -0.00 0.00 0.00 60.65 61.87 1x47 s ILE 11 Cb -0.03 -3.43 0.16 0.00 -0.00 0.00 0.00 42.46 39.15 1x47 s ILE 11 CO -0.12 -0.50 0.42 0.20 -0.00 0.00 0.00 174.94 174.93 1x47 s ASN 12 N -2.75 0.19 -0.95 4.36 0.01 -1.26 -5.09 114.94 109.45 1x47 s ASN 12 Ca 0.63 -0.14 -0.24 0.00 -0.71 0.00 0.00 52.86 52.41 1x47 s ASN 12 Cb -0.15 1.19 0.00 0.00 0.41 0.00 0.00 41.25 42.70 1x47 s ASN 12 CO 0.35 -0.33 1.69 -2.16 -1.51 0.00 0.00 177.10 175.13 1x47 s PRO 13 N 2.57 3.08 -0.16 -0.60 0.04 -1.26 -4.93 135.00 133.74 1x47 s PRO 13 Ca 0.11 -0.68 -0.40 0.00 0.04 0.00 0.00 61.00 60.07 1x47 s PRO 13 Cb -0.13 -5.18 -0.17 0.00 0.04 0.00 0.00 34.50 29.06 1x47 s PRO 13 CO -0.26 -2.77 1.49 0.09 0.04 0.00 0.00 177.00 175.60 1x47 n ASN 14 N 11.36 1.60 0.00 6.66 4.13 -1.26 -4.59 115.26 133.17 1x47 n ASN 14 Ca 0.36 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.74 1x47 n ASN 14 Cb 0.49 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 1x47 n ASN 14 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x47 n GLY 15 N 3.24 0.66 3.40 7.41 0.00 -1.26 -5.03 105.19 113.61 1x47 n GLY 15 Ca 0.24 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 1x47 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x47 s LYS 16 N -0.70 3.54 0.41 1.61 0.00 -1.26 -5.08 119.74 118.25 1x47 s LYS 16 Ca 0.00 -0.56 0.08 0.00 0.00 0.00 0.00 55.97 55.49 1x47 s LYS 16 Cb 0.00 -3.05 -0.00 0.00 0.00 0.00 0.00 37.83 34.77 1x47 s LYS 16 CO 0.00 -0.05 0.50 0.45 0.00 0.00 0.00 175.35 176.25 1x47 s SER 17 N 1.15 5.55 0.21 0.03 0.15 -1.26 -4.80 113.70 114.72 1x47 s SER 17 Ca 0.02 -0.47 -0.17 0.00 0.70 0.00 0.00 55.95 56.03 1x47 s SER 17 Cb -0.14 -0.72 0.21 0.00 -1.71 0.00 0.00 66.02 63.65 1x47 s SER 17 CO 0.01 -0.68 1.58 -0.08 1.20 0.00 0.00 173.24 175.27 1x47 h GLU 18 N 0.78 -0.08 -1.13 5.44 4.57 -1.97 1.67 114.58 123.86 1x47 h GLU 18 Ca -0.41 0.01 0.31 0.00 -1.18 0.00 0.00 59.36 58.09 1x47 h GLU 18 Cb 1.27 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.81 1x47 h GLU 18 CO 0.49 -0.05 0.77 -0.39 -1.18 0.00 0.00 179.01 178.65 1x47 h VAL 19 N -0.08 0.44 0.00 0.32 -1.51 -1.88 1.14 116.25 114.68 1x47 h VAL 19 Ca 0.30 -0.06 -0.01 0.00 -1.23 0.00 0.00 66.70 65.70 1x47 h VAL 19 Cb 0.57 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 29.99 1x47 h VAL 19 CO -0.77 0.03 -0.15 0.00 -1.23 0.00 0.00 177.57 175.44 1x47 h ILE 21 N -1.00 0.16 -0.45 0.00 5.03 0.19 0.73 117.51 122.16 1x47 h ILE 21 Ca -0.01 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.82 1x47 h ILE 21 Cb 0.25 0.16 -0.08 0.00 -3.03 0.00 0.00 36.82 34.12 1x47 h ILE 21 CO -0.01 0.00 -0.07 0.25 -0.68 0.00 0.00 178.15 177.65 1x47 h LEU 22 N -0.10 -0.33 0.69 1.44 7.12 0.11 0.12 115.31 124.37 1x47 h LEU 22 Ca 0.28 0.12 -0.03 0.00 0.13 0.00 0.00 57.88 58.39 1x47 h LEU 22 Cb 0.56 0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 40.93 1x47 h LEU 22 CO -0.76 -0.11 -0.43 -0.74 -0.13 0.00 0.00 178.44 176.27 1x47 h HIS 23 N 0.04 -1.13 0.00 1.25 2.76 -0.03 0.11 115.15 118.15 1x47 h HIS 23 Ca 0.22 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1x47 h HIS 23 Cb 0.33 0.40 0.00 0.00 1.55 0.00 0.00 27.41 29.70 1x47 h HIS 23 CO -0.35 -0.64 0.00 0.39 -1.30 0.00 0.00 177.93 176.03 1x47 n GLU 24 N -5.56 0.00 -0.30 5.26 1.02 0.20 0.68 120.64 121.94 1x47 n GLU 24 Ca -0.14 0.78 0.10 0.00 -0.02 0.00 0.00 57.16 57.88 1x47 n GLU 24 Cb 0.45 -1.42 0.23 0.00 -0.02 0.00 0.00 31.44 30.68 1x47 n GLU 24 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1x47 h TYR 25 N 0.00 0.01 0.61 -0.32 5.03 -0.81 0.89 116.97 122.37 1x47 h TYR 25 Ca 0.00 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 1x47 h TYR 25 Cb 0.00 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 1x47 h TYR 25 CO -0.51 -0.32 -0.46 0.52 -1.32 0.00 0.00 178.16 176.08 1x47 h MET 26 N 0.08 -0.99 0.00 1.82 2.86 0.47 1.28 114.93 120.46 1x47 h MET 26 Ca 0.51 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.22 1x47 h MET 26 Cb 1.00 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1x47 h MET 26 CO -0.78 -0.66 0.00 0.94 1.06 0.00 0.00 176.91 177.48 1x47 n GLN 27 N -5.26 0.13 -0.10 1.72 7.27 0.21 0.23 117.38 121.58 1x47 n GLN 27 Ca -0.12 0.21 -0.24 0.00 0.07 0.00 0.00 57.00 56.92 1x47 n GLN 27 Cb 0.44 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.48 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 -1.32 0.61 -0.11 3.69 0.63 0.30 -3.46 116.66 117.00 1x47 n ARG 28 Ca 0.05 0.40 -0.20 0.00 -0.92 0.00 0.00 57.85 57.17 1x47 n ARG 28 Cb 0.09 -1.65 -0.09 0.00 0.45 0.00 0.00 32.46 31.26 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 -4.12 1.51 -0.03 5.15 0.24 0.43 -4.56 118.33 116.95 1x47 n VAL 29 Ca -0.40 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.34 61.67 1x47 n VAL 29 Cb 0.83 -2.08 -0.11 0.00 -1.47 0.00 0.00 33.84 31.01 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 0.17 -1.22 1.34 3.38 0.27 -3.48 115.31 114.77 1x47 h LEU 30 Ca -0.37 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 56.90 1x47 h LEU 30 Cb 1.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1x47 h LEU 30 CO -0.23 0.84 0.00 1.17 0.09 0.00 0.00 178.44 180.32 1x47 n LYS 31 N -4.60 0.00 -3.83 1.13 4.81 0.53 -4.92 118.16 111.28 1x47 n LYS 31 Ca -0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.23 1x47 n LYS 31 Cb 0.43 -2.48 -0.10 0.00 0.02 0.00 0.00 35.03 32.89 1x47 n LYS 31 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1x47 s VAL 32 N -2.99 0.05 -0.31 3.15 -7.23 -1.25 -4.89 120.40 106.93 1x47 s VAL 32 Ca 0.00 -0.44 -0.25 0.00 -1.81 0.00 0.00 61.98 59.48 1x47 s VAL 32 Cb 0.00 -0.41 0.01 0.00 0.56 0.00 0.00 36.38 36.54 1x47 s VAL 32 CO 0.00 -0.24 0.87 -0.13 -0.31 0.00 0.00 175.10 175.29 1x47 s ARG 33 N -0.89 4.00 0.21 4.82 3.00 -1.26 -3.68 118.95 125.16 1x47 s ARG 33 Ca -0.10 0.74 -0.30 0.00 0.00 0.00 0.00 55.73 56.08 1x47 s ARG 33 Cb -0.05 -3.73 -0.08 0.00 0.00 0.00 0.00 34.95 31.09 1x47 s ARG 33 CO 0.01 -0.73 1.10 -1.25 0.00 0.00 0.00 175.30 174.44 1x47 s PRO 34 N 3.14 4.61 -0.21 3.54 0.04 -1.26 -4.59 135.00 140.26 1x47 s PRO 34 Ca 0.36 1.75 -0.10 0.00 0.04 0.00 0.00 61.00 63.05 1x47 s PRO 34 Cb -0.14 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1x47 s PRO 34 CO 0.13 0.11 0.13 0.08 0.04 0.00 0.00 177.00 177.49 1x47 s VAL 35 N -0.52 5.32 -0.40 -0.36 1.01 0.33 -4.95 120.40 120.83 1x47 s VAL 35 Ca 0.48 0.16 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 1x47 s VAL 35 Cb -0.30 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1x47 s VAL 35 CO 0.37 0.42 0.68 -0.31 0.00 0.00 0.00 175.10 176.26 1x47 s TYR 36 N 0.55 3.09 -0.10 5.22 1.51 -1.26 0.59 117.35 126.95 1x47 s TYR 36 Ca 0.07 0.23 -0.15 0.00 -1.01 0.00 0.00 57.07 56.21 1x47 s TYR 36 Cb -0.12 -3.32 -0.05 0.00 -0.11 0.00 0.00 41.96 38.36 1x47 s TYR 36 CO -0.00 -0.77 0.38 -0.80 -1.11 0.00 0.00 175.55 173.24 1x47 s ASN 37 N 1.92 6.62 0.05 2.29 0.02 0.42 -4.93 114.94 121.33 1x47 s ASN 37 Ca 0.26 0.73 0.06 0.00 -1.02 0.00 0.00 52.86 52.89 1x47 s ASN 37 Cb -0.14 -2.23 -0.03 0.00 0.02 0.00 0.00 41.25 38.88 1x47 s ASN 37 CO 0.18 0.15 -0.18 -0.36 0.02 0.00 0.00 177.10 176.91 1x47 s PHE 38 N -0.01 1.58 0.20 2.20 0.40 -1.26 0.96 117.98 122.06 1x47 s PHE 38 Ca 0.21 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 1x47 s PHE 38 Cb -0.15 -0.92 -0.00 0.00 0.51 0.00 0.00 43.02 42.46 1x47 s PHE 38 CO 0.09 0.09 0.40 -0.59 0.70 0.00 0.00 175.22 175.91 1x47 s PHE 39 N -0.90 0.30 0.06 0.36 -0.12 -1.16 -5.02 117.98 111.49 1x47 s PHE 39 Ca 0.05 -0.65 -0.28 0.00 -0.05 0.00 0.00 56.93 56.00 1x47 s PHE 39 Cb -0.09 0.12 -0.05 0.00 -0.63 0.00 0.00 43.02 42.37 1x47 s PHE 39 CO 0.02 -0.86 0.89 -1.83 -0.05 0.00 0.00 175.22 173.39 1x47 s GLU 40 N -3.97 4.60 -0.31 1.99 -1.05 -1.26 -4.03 118.70 114.66 1x47 s GLU 40 Ca 0.18 1.30 -0.04 0.00 -0.15 0.00 0.00 54.97 56.26 1x47 s GLU 40 Cb 0.01 -3.39 0.04 0.00 -0.44 0.00 0.00 34.13 30.35 1x47 s GLU 40 CO 0.03 0.18 0.05 0.00 0.95 0.00 0.00 175.26 176.47 1x47 n GLU 42 N 4.72 2.37 -4.38 0.00 1.02 -1.26 -4.34 120.64 118.77 1x47 n GLU 42 Ca -0.13 -1.44 -0.19 0.00 -0.02 0.00 0.00 57.16 55.38 1x47 n GLU 42 Cb 0.44 -2.36 -0.15 0.00 -0.02 0.00 0.00 31.44 29.36 1x47 n GLU 42 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1x47 s ASN 43 N 2.64 1.10 -0.06 1.62 3.84 -1.26 -5.05 114.94 117.76 1x47 s ASN 43 Ca 0.52 -0.17 -0.26 0.00 0.21 0.00 0.00 52.86 53.17 1x47 s ASN 43 Cb 0.17 -0.14 -0.23 0.00 -0.55 0.00 0.00 41.25 40.51 1x47 s ASN 43 CO -0.03 0.11 1.04 1.55 -2.79 0.00 0.00 177.10 176.98 1x47 h PRO 44 N 5.96 0.09 -0.21 0.43 0.13 -1.98 -2.03 132.00 134.39 1x47 h PRO 44 Ca -0.31 -0.09 0.05 0.00 -0.87 0.00 0.00 66.00 64.78 1x47 h PRO 44 Cb 1.18 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1x47 h PRO 44 CO 0.49 0.82 -0.43 0.77 -0.23 0.00 0.00 178.00 179.43 1x47 h SER 45 N -0.60 -1.36 -2.78 1.44 0.02 -1.98 -3.36 113.55 104.93 1x47 h SER 45 Ca -0.01 0.19 -0.58 0.00 -0.84 0.00 0.00 61.79 60.55 1x47 h SER 45 Cb 0.86 0.57 -0.39 0.00 0.14 0.00 0.00 62.40 63.57 1x47 h SER 45 CO 0.02 -0.41 -0.82 -1.61 -1.14 0.00 0.00 176.83 172.88 1x47 s GLU 46 N -5.87 0.60 0.47 3.45 8.01 -1.25 -4.51 118.70 119.60 1x47 s GLU 46 Ca -0.15 -1.28 0.26 0.00 0.01 0.00 0.00 54.97 53.81 1x47 s GLU 46 Cb 0.10 -1.46 0.79 0.00 -4.31 0.00 0.00 34.13 29.25 1x47 s GLU 46 CO 0.64 -1.16 1.77 -1.00 0.01 0.00 0.00 175.26 175.52 1x47 h PRO 47 N 7.26 0.00 -5.49 0.39 0.13 -1.52 -3.41 132.00 129.36 1x47 h PRO 47 Ca -0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 1x47 h PRO 47 Cb 0.97 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.99 1x47 h PRO 47 CO 0.33 0.09 0.06 -0.06 -0.23 0.00 0.00 178.00 178.19 1x47 s PHE 48 N -3.43 3.31 0.01 1.56 0.40 -1.23 -2.23 117.98 116.37 1x47 s PHE 48 Ca 0.03 0.77 -0.00 0.00 -0.60 0.00 0.00 56.93 57.13 1x47 s PHE 48 Cb 0.08 -2.76 -0.01 0.00 0.51 0.00 0.00 43.02 40.84 1x47 s PHE 48 CO 0.62 -0.24 -0.01 0.20 0.70 0.00 0.00 175.22 176.49 1x47 s GLY 49 N 1.39 0.10 0.19 4.36 0.00 -1.26 -0.99 107.32 111.11 1x47 s GLY 49 Ca 0.24 -0.25 -0.11 0.00 0.00 0.00 0.00 44.72 44.60 1x47 s GLY 49 CO 0.09 -0.29 0.36 0.00 0.00 0.00 0.00 173.10 173.26 1x47 s ALA 50 N -0.64 -0.17 0.19 3.20 0.00 -0.41 -3.01 121.76 120.93 1x47 s ALA 50 Ca -0.07 -0.80 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 1x47 s ALA 50 Cb -0.04 0.92 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1x47 s ALA 50 CO -0.00 -0.71 0.25 -1.54 0.00 0.00 0.00 175.76 173.75 1x47 s SER 51 N -2.97 0.08 -0.25 0.00 1.04 0.27 -1.51 113.70 110.37 1x47 s SER 51 Ca 0.18 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 55.51 1x47 s SER 51 Cb 0.02 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.62 1x47 s SER 51 CO 0.02 -0.91 -0.10 -0.69 0.98 0.00 0.00 173.24 172.54 1x47 s VAL 52 N -4.06 2.41 -0.26 5.02 1.01 0.44 -0.43 120.40 124.54 1x47 s VAL 52 Ca 0.27 -1.37 -0.10 0.00 0.00 0.00 0.00 61.98 60.78 1x47 s VAL 52 Cb 0.04 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1x47 s VAL 52 CO 0.07 0.09 0.16 0.42 0.00 0.00 0.00 175.10 175.83 1x47 s THR 53 N 1.20 5.16 -0.49 3.92 -4.23 0.20 -1.05 115.64 120.35 1x47 s THR 53 Ca -0.04 0.12 -0.17 0.00 -1.18 0.00 0.00 61.69 60.41 1x47 s THR 53 Cb -0.18 -3.43 0.07 0.00 1.34 0.00 0.00 72.50 70.30 1x47 s THR 53 CO -0.06 0.31 0.50 -0.63 -0.54 0.00 0.00 174.62 174.20 1x47 s ILE 54 N 1.41 5.08 -1.26 2.99 1.01 0.50 -0.52 121.20 130.42 1x47 s ILE 54 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1x47 s ILE 54 Cb -0.15 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.11 1x47 s ILE 54 CO 0.07 -0.70 0.00 -0.67 0.00 0.00 0.00 174.94 173.64 1x47 n ASP 55 N 5.62 -5.30 0.00 3.58 2.03 -1.26 -1.07 116.55 120.15 1x47 n ASP 55 Ca -0.10 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1x47 n ASP 55 Cb 0.44 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 37.00 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 -0.36 1.69 3.69 0.27 0.00 -1.26 -5.07 105.19 104.16 1x47 n GLY 56 Ca -0.12 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.14 3.68 0.24 1.61 1.01 -0.23 -4.88 120.40 120.70 1x47 s VAL 57 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 1x47 s VAL 57 Cb 0.00 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 1x47 s VAL 57 CO 0.00 0.01 1.05 -0.89 0.00 0.00 0.00 175.10 175.27 1x47 s THR 58 N 2.21 3.75 0.00 3.92 2.01 -1.26 0.19 115.64 126.46 1x47 s THR 58 Ca 0.64 1.70 0.00 0.00 0.31 0.00 0.00 61.69 64.34 1x47 s THR 58 Cb -0.32 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.11 1x47 s THR 58 CO 0.27 0.38 0.00 -1.22 -0.69 0.00 0.00 174.62 173.36 1x47 n TYR 59 N 1.57 0.00 -2.92 4.92 4.02 -0.21 -4.89 117.16 119.65 1x47 n TYR 59 Ca -0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 1x47 n TYR 59 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.73 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 -1.41 1.95 -0.04 2.72 0.00 -1.23 -4.83 107.32 104.48 1x47 s GLY 60 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1x47 s GLY 60 CO 0.00 1.68 0.09 -1.35 0.00 0.00 0.00 173.10 173.52 1x47 s SER 61 N 1.24 -0.04 0.17 1.64 1.04 -1.26 0.17 113.70 116.66 1x47 s SER 61 Ca 0.35 0.18 -0.23 0.00 0.48 0.00 0.00 55.95 56.73 1x47 s SER 61 Cb -0.16 0.08 0.08 0.00 0.10 0.00 0.00 66.02 66.12 1x47 s SER 61 CO 0.10 -0.12 1.04 -0.83 0.98 0.00 0.00 173.24 174.41 1x47 s GLY 62 N 0.94 0.03 0.34 7.32 0.00 -0.57 -4.85 107.32 110.52 1x47 s GLY 62 Ca -0.08 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 44.47 1x47 s GLY 62 CO -0.04 2.01 0.12 -0.51 0.00 0.00 0.00 173.10 174.68 1x47 s THR 63 N -2.37 0.65 0.14 0.90 -4.23 -1.26 -1.28 115.64 108.18 1x47 s THR 63 Ca 0.20 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.46 1x47 s THR 63 Cb -0.02 -2.54 0.07 0.00 1.34 0.00 0.00 72.50 71.35 1x47 s THR 63 CO 0.04 0.00 1.00 0.00 -0.54 0.00 0.00 174.62 175.12 1x47 s ALA 64 N -3.43 -1.70 0.33 3.99 0.00 -0.16 -4.59 121.76 116.20 1x47 s ALA 64 Ca 0.32 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.47 1x47 s ALA 64 Cb 0.05 0.62 0.59 0.00 0.00 0.00 0.00 23.12 24.39 1x47 s ALA 64 CO 0.16 -1.05 1.84 0.77 0.00 0.00 0.00 175.76 177.48 1x47 h SER 65 N 2.00 0.42 -1.65 0.00 0.02 -1.84 -3.26 113.55 109.23 1x47 h SER 65 Ca -0.25 -0.10 -0.52 0.00 -0.84 0.00 0.00 61.79 60.08 1x47 h SER 65 Cb 1.23 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 1x47 h SER 65 CO 0.26 0.56 -0.45 -0.55 -1.14 0.00 0.00 176.83 175.52 1x47 s SER 66 N -6.79 4.85 -0.03 3.07 0.15 -1.26 -4.73 113.70 108.96 1x47 s SER 66 Ca -0.07 -0.80 -0.25 0.00 0.70 0.00 0.00 55.95 55.54 1x47 s SER 66 Cb 0.15 -0.64 -0.21 0.00 -1.71 0.00 0.00 66.02 63.61 1x47 s SER 66 CO 0.76 -0.51 1.14 0.50 1.20 0.00 0.00 173.24 176.33 1x47 h LYS 67 N 1.26 0.13 0.22 5.44 3.64 -1.92 -3.02 116.57 122.32 1x47 h LYS 67 Ca -0.43 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1x47 h LYS 67 Cb 1.26 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.06 1x47 h LYS 67 CO 0.62 0.75 -0.52 -0.22 -2.27 0.00 0.00 179.45 177.81 1x47 h LYS 68 N -0.46 -0.78 -0.99 1.90 1.63 -1.97 -0.75 116.57 115.14 1x47 h LYS 68 Ca -0.01 0.05 0.13 0.00 -0.85 0.00 0.00 60.65 59.97 1x47 h LYS 68 Cb 0.77 0.18 -0.14 0.00 -0.60 0.00 0.00 32.23 32.43 1x47 h LYS 68 CO 0.02 -0.52 -0.47 -0.07 -3.45 0.00 0.00 179.45 174.96 1x47 h LEU 69 N -0.81 -1.74 -0.35 5.20 -0.00 -1.96 1.41 115.31 117.06 1x47 h LEU 69 Ca -0.02 0.32 0.07 0.00 -0.00 0.00 0.00 57.88 58.25 1x47 h LEU 69 Cb 0.79 0.84 -0.09 0.00 -0.00 0.00 0.00 40.66 42.20 1x47 h LEU 69 CO -0.23 -0.27 -0.35 0.00 -0.00 0.00 0.00 178.44 177.59 1x47 h ALA 70 N 1.01 -0.28 -0.69 1.53 0.00 -1.24 0.87 119.26 120.46 1x47 h ALA 70 Ca 0.27 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1x47 h ALA 70 Cb 0.52 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1x47 h ALA 70 CO -0.97 -0.78 0.39 -0.22 0.00 0.00 0.00 179.25 177.68 1x47 h LYS 71 N -0.30 0.71 -0.78 0.00 3.64 0.15 0.46 116.57 120.44 1x47 h LYS 71 Ca 0.15 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1x47 h LYS 71 Cb 0.55 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1x47 h LYS 71 CO -0.51 0.47 0.48 -0.91 -2.27 0.00 0.00 179.45 176.71 1x47 h ASN 72 N 0.73 0.78 0.03 4.20 2.35 0.43 0.82 115.58 124.93 1x47 h ASN 72 Ca 0.30 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1x47 h ASN 72 Cb 0.17 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1x47 h ASN 72 CO -0.17 0.52 -0.02 0.11 -1.65 0.00 0.00 177.43 176.23 1x47 h LYS 73 N 0.92 -0.04 -0.70 0.81 1.57 0.21 1.42 116.57 120.76 1x47 h LYS 73 Ca 0.32 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.26 1x47 h LYS 73 Cb 0.08 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.29 1x47 h LYS 73 CO -0.14 0.28 0.15 0.00 -0.57 0.00 0.00 179.45 179.17 1x47 h ALA 74 N 0.59 0.87 0.18 3.86 0.00 0.37 0.89 119.26 126.03 1x47 h ALA 74 Ca -0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1x47 h ALA 74 Cb 0.34 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x47 h ALA 74 CO 0.01 -0.34 -0.09 0.00 0.00 0.00 0.00 179.25 178.83 1x47 h ALA 75 N 1.59 -0.25 -0.94 0.00 0.00 -0.70 -2.12 119.26 116.85 1x47 h ALA 75 Ca 0.39 -0.20 0.28 0.00 0.00 0.00 0.00 54.91 55.38 1x47 h ALA 75 Cb 0.65 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.38 1x47 h ALA 75 CO -0.50 -0.29 0.33 -0.09 0.00 0.00 0.00 179.25 178.70 1x47 h ARG 76 N -0.94 0.19 0.13 0.00 2.43 0.26 0.44 114.38 116.88 1x47 h ARG 76 Ca -0.03 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1x47 h ARG 76 Cb 0.47 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1x47 h ARG 76 CO 0.04 0.13 -0.06 0.00 -1.51 0.00 0.00 179.97 178.57 1x47 h ALA 77 N 1.85 -0.17 -0.92 2.80 0.00 0.77 -1.95 119.26 121.62 1x47 h ALA 77 Ca 0.64 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.58 1x47 h ALA 77 Cb 1.39 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 19.14 1x47 h ALA 77 CO -0.68 -0.45 0.50 1.15 0.00 0.00 0.00 179.25 179.76 1x47 h THR 78 N -0.46 0.64 0.61 0.00 2.02 0.39 0.01 112.91 116.12 1x47 h THR 78 Ca -0.02 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1x47 h THR 78 Cb 0.37 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1x47 h THR 78 CO 0.03 0.11 -0.29 -0.07 0.37 0.00 0.00 175.52 175.67 1x47 h LEU 79 N 0.61 -0.69 -0.90 2.58 3.38 -0.31 -2.50 115.31 117.47 1x47 h LEU 79 Ca 0.54 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.74 1x47 h LEU 79 Cb 0.89 0.18 -0.17 0.00 0.09 0.00 0.00 40.66 41.65 1x47 h LEU 79 CO -0.42 -0.49 -0.13 -0.33 0.09 0.00 0.00 178.44 177.17 1x47 h GLU 80 N -0.84 0.02 -0.50 1.13 5.08 -0.64 1.59 114.58 120.42 1x47 h GLU 80 Ca -0.08 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1x47 h GLU 80 Cb 0.63 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.77 1x47 h GLU 80 CO 0.14 0.01 -0.31 0.82 -1.00 0.00 0.00 179.01 178.67 1x47 h ILE 81 N 0.02 0.23 0.29 3.13 2.04 -0.86 -2.89 117.51 119.48 1x47 h ILE 81 Ca 0.47 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.32 1x47 h ILE 81 Cb 0.81 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1x47 h ILE 81 CO -0.88 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 177.05 1x47 h LEU 82 N -0.19 -0.33 -8.80 1.44 3.38 0.39 -3.42 115.31 107.78 1x47 h LEU 82 Ca 0.21 0.01 -0.60 0.00 0.09 0.00 0.00 57.88 57.59 1x47 h LEU 82 Cb 0.53 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.26 1x47 h LEU 82 CO -0.60 0.02 0.50 -0.63 0.09 0.00 0.00 178.44 177.82 1x47 s ILE 83 N -2.85 4.64 0.14 1.22 1.01 0.49 -4.91 121.20 120.94 1x47 s ILE 83 Ca -0.06 1.00 -0.04 0.00 0.00 0.00 0.00 60.65 61.55 1x47 s ILE 83 Cb 0.01 -4.29 -0.16 0.00 0.01 0.00 0.00 42.46 38.03 1x47 s ILE 83 CO 0.17 -0.53 1.35 1.55 0.00 0.00 0.00 174.94 177.48 1x47 h PRO 84 N 8.55 0.43 -2.27 2.79 0.13 -1.81 -3.31 132.00 136.51 1x47 h PRO 84 Ca -0.24 -0.42 -0.62 0.00 -0.87 0.00 0.00 66.00 63.85 1x47 h PRO 84 Cb 1.08 0.11 -0.41 0.00 0.13 0.00 0.00 31.00 31.92 1x47 h PRO 84 CO 0.96 1.07 -0.45 -0.40 -0.23 0.00 0.00 178.00 178.95 1x47 n ASP 85 N -3.78 4.13 -0.08 1.44 5.68 -1.26 -4.84 116.55 117.84 1x47 n ASP 85 Ca -0.06 -3.47 -0.12 0.00 -0.50 0.00 0.00 54.79 50.64 1x47 n ASP 85 Cb 0.79 -0.72 -0.08 0.00 -1.14 0.00 0.00 41.12 39.97 1x47 n ASP 85 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1x47 h PHE 86 N 4.18 0.00 -4.67 2.11 3.57 -1.93 -3.49 116.94 116.71 1x47 h PHE 86 Ca 0.20 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 61.22 1x47 h PHE 86 Cb 0.64 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.28 1x47 h PHE 86 CO 0.77 0.75 -0.37 1.33 -2.23 0.00 0.00 178.31 178.55 1x47 n VAL 87 N -4.59 0.00 -3.37 1.41 0.24 -1.26 -5.11 118.33 105.64 1x47 n VAL 87 Ca -0.14 -1.87 -0.26 0.00 -2.04 0.00 0.00 64.34 60.03 1x47 n VAL 87 Cb 0.40 0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 33.19 1x47 n VAL 87 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1x47 n LYS 88 N -0.86 0.38 0.13 7.34 5.02 -1.26 -4.91 118.16 123.99 1x47 n LYS 88 Ca -0.11 -3.25 0.00 0.00 -2.02 0.00 0.00 58.31 52.94 1x47 n LYS 88 Cb 0.49 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1x47 n LYS 88 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1x47 n GLN 89 N 2.49 0.00 -2.92 1.97 0.00 -1.26 -5.12 117.38 112.55 1x47 n GLN 89 Ca 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 57.28 1x47 n GLN 89 Cb 0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 30.24 30.70 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 -3.39 -7.77 0.02 1.69 -1.04 -1.26 -5.01 114.28 97.52 1x47 n THR 90 Ca 0.00 1.29 -0.01 0.00 -2.04 0.00 0.00 64.05 63.29 1x47 n THR 90 Cb 0.00 -5.24 -0.00 0.00 -1.82 0.00 0.00 70.33 63.26 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 0.99 0.92 -4.65 8.00 2.88 -1.26 -4.99 113.62 115.51 1x47 n SER 91 Ca -0.01 0.13 -0.43 0.00 -1.33 0.00 0.00 58.87 57.23 1x47 n SER 91 Cb 0.22 -0.32 -0.02 0.00 -0.75 0.00 0.00 64.21 63.33 1x47 n SER 91 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x47 s GLU 92 N -1.85 4.12 0.04 -1.46 2.56 -1.26 -5.00 118.70 115.85 1x47 s GLU 92 Ca -0.04 1.80 0.07 0.00 0.00 0.00 0.00 54.97 56.81 1x47 s GLU 92 Cb 0.01 -3.89 -0.02 0.00 2.00 0.00 0.00 34.13 32.22 1x47 s GLU 92 CO 0.05 -0.88 -0.21 -1.12 -0.56 0.00 0.00 175.26 172.54 1x47 s SER 93 N 2.86 2.51 0.00 -1.70 0.01 -1.26 -5.00 113.70 111.12 1x47 s SER 93 Ca 0.64 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1x47 s SER 93 Cb -0.26 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1x47 s SER 93 CO 0.23 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1x47 n GLY 94 N 1.91 -1.93 3.61 3.44 0.00 -1.26 -4.95 105.19 106.01 1x47 n GLY 94 Ca -0.17 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.36 3.72 0.88 1.61 0.04 -1.26 -5.01 135.00 133.62 1x47 s PRO 95 Ca 0.00 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 62.00 1x47 s PRO 95 Cb 0.00 -3.97 0.13 0.00 0.04 0.00 0.00 34.50 30.70 1x47 s PRO 95 CO 0.00 -1.38 1.21 0.45 0.04 0.00 0.00 177.00 177.32 1x47 s SER 96 N 3.51 3.85 -0.17 6.66 0.15 -1.26 -4.71 113.70 121.72 1x47 s SER 96 Ca 0.60 0.67 -0.05 0.00 0.70 0.00 0.00 55.95 57.86 1x47 s SER 96 Cb -0.15 -1.04 0.02 0.00 -1.71 0.00 0.00 66.02 63.14 1x47 s SER 96 CO 0.29 -2.31 0.10 -1.20 1.20 0.00 0.00 173.24 171.32 1x47 n SER 97 N -3.56 -4.70 0.00 5.45 7.64 -1.26 -5.16 113.62 112.03 1x47 n SER 97 Ca 0.10 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1x47 n SER 97 Cb 0.60 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 1x47 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64