#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 6.96 0.13 1.61 0.15 -1.26 -4.93 113.70 116.37 1x47 s SER 2 Ca 0.00 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1x47 s SER 2 Cb 0.00 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1x47 s SER 2 CO 0.00 -0.02 0.00 -1.20 1.20 0.00 0.00 173.24 173.22 1x47 n SER 3 N 3.33 0.70 0.00 5.45 7.64 -1.26 -5.17 113.62 124.32 1x47 n SER 3 Ca -0.04 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1x47 n SER 3 Cb 0.51 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1x47 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x47 n GLY 4 N 2.97 -0.59 3.21 0.23 0.00 -1.26 -5.17 105.19 104.58 1x47 n GLY 4 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 1.57 -1.28 1.61 0.01 -1.26 -5.00 113.70 105.34 1x47 s SER 5 Ca 0.00 -0.95 -0.19 0.00 1.31 0.00 0.00 55.95 56.12 1x47 s SER 5 Cb 0.00 0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.29 1x47 s SER 5 CO 0.00 -0.33 1.76 -0.44 0.41 0.00 0.00 173.24 174.64 1x47 s SER 6 N -2.92 6.56 0.43 2.44 0.01 -1.26 -4.86 113.70 114.11 1x47 s SER 6 Ca 0.12 -2.32 0.00 0.00 1.31 0.00 0.00 55.95 55.06 1x47 s SER 6 Cb 0.01 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1x47 s SER 6 CO -0.01 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 172.79 1x47 n GLY 7 N 5.48 -2.37 0.08 3.44 0.00 -1.26 -4.80 105.19 105.76 1x47 n GLY 7 Ca 0.48 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 1x47 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x47 n GLU 8 N -4.28 0.48 -3.91 1.61 4.71 -1.26 -4.89 120.64 113.10 1x47 n GLU 8 Ca -0.02 0.47 -0.35 0.00 -0.01 0.00 0.00 57.16 57.24 1x47 n GLU 8 Cb 0.67 -1.65 -0.14 0.00 -1.01 0.00 0.00 31.44 29.31 1x47 n GLU 8 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1x47 s PHE 9 N -2.39 3.00 -0.76 -0.32 5.36 -1.26 -5.05 117.98 116.56 1x47 s PHE 9 Ca -0.20 -1.11 -0.26 0.00 -0.96 0.00 0.00 56.93 54.40 1x47 s PHE 9 Cb 0.03 -2.11 0.04 0.00 -0.34 0.00 0.00 43.02 40.64 1x47 s PHE 9 CO 0.31 -0.60 1.26 0.08 -1.46 0.00 0.00 175.22 174.80 1x47 s VAL 10 N 1.44 3.82 0.32 3.12 1.01 -1.26 -4.97 120.40 123.88 1x47 s VAL 10 Ca 0.04 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 1x47 s VAL 10 Cb -0.15 -4.90 -0.13 0.00 0.00 0.00 0.00 36.38 31.19 1x47 s VAL 10 CO -0.03 -1.82 1.13 2.30 0.00 0.00 0.00 175.10 176.69 1x47 n ILE 11 N 6.36 2.02 -3.74 2.22 -5.35 -1.26 -4.95 119.36 114.67 1x47 n ILE 11 Ca 0.05 -0.50 -0.38 0.00 -0.27 0.00 0.00 62.75 61.65 1x47 n ILE 11 Cb 0.49 -1.26 -0.12 0.00 -1.74 0.00 0.00 39.64 37.00 1x47 n ILE 11 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1x47 s ASN 12 N -0.46 5.31 -0.07 7.28 -0.87 -1.26 -4.98 114.94 119.89 1x47 s ASN 12 Ca 0.57 -1.00 -0.18 0.00 -1.57 0.00 0.00 52.86 50.69 1x47 s ASN 12 Cb -0.63 -1.89 -0.13 0.00 -0.02 0.00 0.00 41.25 38.57 1x47 s ASN 12 CO 0.61 -0.29 0.67 1.55 -2.57 0.00 0.00 177.10 177.07 1x47 h PRO 13 N 8.25 -0.18 -2.77 -0.60 0.13 -2.03 -3.47 132.00 131.34 1x47 h PRO 13 Ca -0.26 0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.74 1x47 h PRO 13 Cb 1.10 0.04 -0.27 0.00 0.13 0.00 0.00 31.00 32.00 1x47 h PRO 13 CO 0.61 0.22 -0.35 1.21 -0.23 0.00 0.00 178.00 179.46 1x47 s ASN 14 N -5.53 -0.43 0.41 1.44 3.84 -1.26 -5.12 114.94 108.29 1x47 s ASN 14 Ca -0.11 0.77 0.00 0.00 0.21 0.00 0.00 52.86 53.74 1x47 s ASN 14 Cb -0.00 0.66 0.00 0.00 -0.55 0.00 0.00 41.25 41.36 1x47 s ASN 14 CO 0.39 -0.18 0.00 0.61 -2.79 0.00 0.00 177.10 175.13 1x47 n GLY 15 N 4.14 1.12 3.39 1.21 0.00 -1.26 -4.54 105.19 109.25 1x47 n GLY 15 Ca -0.23 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1x47 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x47 s LYS 16 N 0.00 3.07 0.27 1.61 3.01 -1.26 -4.95 119.74 121.49 1x47 s LYS 16 Ca 0.00 -0.70 -0.02 0.00 -1.01 0.00 0.00 55.97 54.24 1x47 s LYS 16 Cb 0.00 -2.53 -0.04 0.00 -1.01 0.00 0.00 37.83 34.25 1x47 s LYS 16 CO 0.00 0.35 0.49 -1.12 0.51 0.00 0.00 175.35 175.57 1x47 s SER 17 N -0.00 6.39 0.08 2.83 0.01 -1.26 -4.76 113.70 116.98 1x47 s SER 17 Ca -0.04 0.52 -0.16 0.00 1.31 0.00 0.00 55.95 57.58 1x47 s SER 17 Cb -0.14 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 1x47 s SER 17 CO 0.04 -0.16 1.26 1.21 0.41 0.00 0.00 173.24 176.01 1x47 n GLU 18 N -1.03 -0.22 -0.33 12.44 4.07 -1.26 0.18 120.64 134.49 1x47 n GLU 18 Ca -0.04 1.25 0.26 0.00 -0.06 0.00 0.00 57.16 58.57 1x47 n GLU 18 Cb 0.54 -1.85 0.49 0.00 -0.06 0.00 0.00 31.44 30.56 1x47 n GLU 18 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 1x47 h VAL 19 N 0.00 0.08 0.28 6.31 -1.51 -1.85 0.91 116.25 120.47 1x47 h VAL 19 Ca 0.08 -0.02 -0.01 0.00 -1.23 0.00 0.00 66.70 65.51 1x47 h VAL 19 Cb 0.21 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.37 1x47 h VAL 19 CO -0.48 0.01 -0.14 0.00 -1.23 0.00 0.00 177.57 175.74 1x47 h ILE 21 N -0.81 0.00 -0.95 0.00 2.04 0.46 0.92 117.51 119.16 1x47 h ILE 21 Ca -0.04 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.05 1x47 h ILE 21 Cb 0.29 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.19 1x47 h ILE 21 CO 0.06 0.00 -0.07 0.25 0.00 0.00 0.00 178.15 178.39 1x47 h LEU 22 N -0.02 -0.62 0.76 1.44 7.12 0.60 0.30 115.31 124.89 1x47 h LEU 22 Ca 0.12 0.27 -0.03 0.00 0.13 0.00 0.00 57.88 58.37 1x47 h LEU 22 Cb 0.32 0.51 -0.00 0.00 -0.53 0.00 0.00 40.66 40.96 1x47 h LEU 22 CO -0.69 -0.32 -0.45 -0.74 -0.13 0.00 0.00 178.44 176.11 1x47 h HIS 23 N 0.02 -1.19 -0.01 1.25 2.76 0.95 0.41 115.15 119.34 1x47 h HIS 23 Ca 0.53 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.69 1x47 h HIS 23 Cb 0.98 0.42 -0.00 0.00 1.55 0.00 0.00 27.41 30.36 1x47 h HIS 23 CO -0.58 -0.68 -0.01 -1.91 -1.30 0.00 0.00 177.93 173.45 1x47 n GLU 24 N -5.59 -0.00 -0.34 5.26 0.00 0.96 0.17 120.64 121.09 1x47 n GLU 24 Ca -0.14 1.00 0.18 0.00 0.00 0.00 0.00 57.16 58.20 1x47 n GLU 24 Cb 0.47 -1.50 0.42 0.00 0.00 0.00 0.00 31.44 30.82 1x47 n GLU 24 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 1x47 h TYR 25 N 0.00 0.90 0.33 4.31 5.03 -1.23 1.48 116.97 127.79 1x47 h TYR 25 Ca 0.00 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1x47 h TYR 25 Cb 0.00 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.02 1x47 h TYR 25 CO -0.94 0.10 -0.16 0.52 -1.32 0.00 0.00 178.16 176.36 1x47 h MET 26 N 0.55 -0.42 0.00 1.82 2.86 0.22 1.14 114.93 121.10 1x47 h MET 26 Ca 0.61 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.28 1x47 h MET 26 Cb 1.25 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1x47 h MET 26 CO -0.39 -0.16 0.00 0.94 1.06 0.00 0.00 176.91 178.36 1x47 n GLN 27 N -5.19 0.07 -0.05 1.72 -0.06 0.45 0.19 117.38 114.51 1x47 n GLN 27 Ca -0.10 0.11 -0.18 0.00 -2.00 0.00 0.00 57.00 54.83 1x47 n GLN 27 Cb 0.25 -1.50 -0.13 0.00 -4.06 0.00 0.00 30.24 24.79 1x47 n GLN 27 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1x47 n ARG 28 N -1.46 0.71 -0.05 3.69 0.63 0.49 -3.58 116.66 117.10 1x47 n ARG 28 Ca 0.06 0.21 -0.05 0.00 -0.92 0.00 0.00 57.85 57.16 1x47 n ARG 28 Cb 0.24 -1.64 -0.02 0.00 0.45 0.00 0.00 32.46 31.49 1x47 n ARG 28 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1x47 n VAL 29 N -3.33 0.86 -0.12 5.15 0.31 0.39 -4.62 118.33 116.97 1x47 n VAL 29 Ca -0.35 0.30 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 1x47 n VAL 29 Cb 1.04 -2.00 -0.02 0.00 -0.91 0.00 0.00 33.84 31.94 1x47 n VAL 29 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x47 h LEU 30 N -0.58 0.62 -1.82 7.52 3.38 0.11 -3.48 115.31 121.06 1x47 h LEU 30 Ca 0.00 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1x47 h LEU 30 Cb 0.52 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.13 1x47 h LEU 30 CO 0.00 0.77 -0.11 0.29 0.09 0.00 0.00 178.44 179.48 1x47 n LYS 31 N -4.50 -0.99 -3.76 1.13 5.02 0.49 -4.94 118.16 110.61 1x47 n LYS 31 Ca -0.02 0.12 -0.11 0.00 -2.02 0.00 0.00 58.31 56.29 1x47 n LYS 31 Cb 0.27 -2.99 -0.07 0.00 -0.02 0.00 0.00 35.03 32.22 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 -3.05 0.09 -0.19 -0.18 -7.23 -1.24 -4.92 120.40 103.68 1x47 s VAL 32 Ca 0.01 -0.73 -0.25 0.00 -1.81 0.00 0.00 61.98 59.20 1x47 s VAL 32 Cb -0.01 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.93 1x47 s VAL 32 CO 0.11 -0.41 0.81 -0.60 -0.31 0.00 0.00 175.10 174.70 1x47 s ARG 33 N -2.78 4.26 0.10 4.82 3.52 -1.26 -3.74 118.95 123.87 1x47 s ARG 33 Ca -0.03 0.96 -0.30 0.00 -0.13 0.00 0.00 55.73 56.23 1x47 s ARG 33 Cb -0.00 -3.60 -0.06 0.00 -1.56 0.00 0.00 34.95 29.73 1x47 s ARG 33 CO -0.05 -0.38 1.15 -1.25 -0.81 0.00 0.00 175.30 173.96 1x47 s PRO 34 N 2.33 4.50 -0.18 5.12 0.04 -1.26 -4.51 135.00 141.04 1x47 s PRO 34 Ca 0.36 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 63.05 1x47 s PRO 34 Cb -0.16 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 1x47 s PRO 34 CO 0.11 -0.12 0.09 0.08 0.04 0.00 0.00 177.00 177.19 1x47 s VAL 35 N 0.57 5.04 -0.25 -0.36 1.01 0.58 -4.97 120.40 122.03 1x47 s VAL 35 Ca 0.55 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.46 1x47 s VAL 35 Cb -0.29 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1x47 s VAL 35 CO 0.31 0.46 0.25 -0.31 0.00 0.00 0.00 175.10 175.81 1x47 s TYR 36 N 0.28 3.29 -0.21 5.22 1.51 -1.26 0.18 117.35 126.37 1x47 s TYR 36 Ca 0.06 0.30 -0.08 0.00 -1.01 0.00 0.00 57.07 56.34 1x47 s TYR 36 Cb -0.12 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 1x47 s TYR 36 CO -0.01 -0.06 0.07 -0.80 -1.11 0.00 0.00 175.55 173.65 1x47 s ASN 37 N 1.34 5.52 0.14 2.29 0.01 0.11 -4.91 114.94 119.45 1x47 s ASN 37 Ca 0.11 -0.00 0.10 0.00 -0.71 0.00 0.00 52.86 52.36 1x47 s ASN 37 Cb -0.15 -1.96 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 1x47 s ASN 37 CO 0.08 0.10 -0.23 -0.36 -1.51 0.00 0.00 177.10 175.18 1x47 s PHE 38 N 0.79 2.39 0.24 2.20 0.40 -1.26 0.63 117.98 123.37 1x47 s PHE 38 Ca 0.04 -0.33 -0.18 0.00 -0.60 0.00 0.00 56.93 55.85 1x47 s PHE 38 Cb -0.13 -1.26 0.02 0.00 0.51 0.00 0.00 43.02 42.16 1x47 s PHE 38 CO 0.02 0.40 0.59 -0.59 0.70 0.00 0.00 175.22 176.34 1x47 s PHE 39 N -1.25 -0.05 -0.01 0.36 -0.12 -1.21 -5.02 117.98 110.68 1x47 s PHE 39 Ca 0.17 -0.34 -0.28 0.00 -0.05 0.00 0.00 56.93 56.43 1x47 s PHE 39 Cb -0.10 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1x47 s PHE 39 CO 0.08 -1.06 0.90 -1.83 -0.05 0.00 0.00 175.22 173.26 1x47 s GLU 40 N -3.92 4.54 -0.26 1.99 -1.05 -1.26 -4.16 118.70 114.57 1x47 s GLU 40 Ca 0.13 1.27 -0.05 0.00 -0.15 0.00 0.00 54.97 56.16 1x47 s GLU 40 Cb -0.03 -3.45 0.00 0.00 -0.44 0.00 0.00 34.13 30.22 1x47 s GLU 40 CO 0.03 0.01 0.03 0.00 0.95 0.00 0.00 175.26 176.28 1x47 n GLU 42 N 4.83 2.54 -4.39 0.00 1.02 -1.26 -4.49 120.64 118.89 1x47 n GLU 42 Ca -0.16 -1.47 -0.20 0.00 -0.02 0.00 0.00 57.16 55.32 1x47 n GLU 42 Cb 0.49 -2.34 -0.15 0.00 -0.02 0.00 0.00 31.44 29.42 1x47 n GLU 42 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x47 s ASN 43 N 2.35 1.15 -0.08 1.62 -0.87 -1.26 -5.06 114.94 112.80 1x47 s ASN 43 Ca 0.60 -0.18 -0.22 0.00 -1.57 0.00 0.00 52.86 51.49 1x47 s ASN 43 Cb 0.21 -0.23 -0.18 0.00 -0.02 0.00 0.00 41.25 41.04 1x47 s ASN 43 CO -0.03 0.09 0.82 1.55 -2.57 0.00 0.00 177.10 176.96 1x47 h PRO 44 N 6.17 -0.10 -0.75 -0.60 0.13 -1.98 -2.14 132.00 132.73 1x47 h PRO 44 Ca -0.32 0.01 0.08 0.00 -0.87 0.00 0.00 66.00 64.89 1x47 h PRO 44 Cb 1.17 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1x47 h PRO 44 CO 0.49 0.45 -0.55 1.03 -0.23 0.00 0.00 178.00 179.19 1x47 h SER 45 N -0.86 -1.96 -2.75 1.44 0.87 -1.98 -3.33 113.55 104.98 1x47 h SER 45 Ca -0.01 0.29 -0.57 0.00 -1.23 0.00 0.00 61.79 60.27 1x47 h SER 45 Cb 0.60 0.85 -0.39 0.00 -0.44 0.00 0.00 62.40 63.02 1x47 h SER 45 CO 0.02 -0.30 -0.82 -1.61 -0.53 0.00 0.00 176.83 173.58 1x47 s GLU 46 N -5.61 0.57 0.44 2.24 2.02 -1.25 -4.63 118.70 112.47 1x47 s GLU 46 Ca -0.13 -1.25 0.24 0.00 0.02 0.00 0.00 54.97 53.86 1x47 s GLU 46 Cb 0.11 -1.42 0.71 0.00 0.10 0.00 0.00 34.13 33.64 1x47 s GLU 46 CO 0.63 -1.16 1.74 -1.00 0.02 0.00 0.00 175.26 175.48 1x47 h PRO 47 N 7.28 0.00 -5.97 0.39 0.13 -1.50 -3.42 132.00 128.91 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 0.16 0.49 -0.06 -0.23 0.00 0.00 178.00 178.68 1x47 s PHE 48 N -3.41 3.01 0.03 1.56 0.40 -1.22 -2.73 117.98 115.62 1x47 s PHE 48 Ca 0.03 0.45 0.05 0.00 -0.60 0.00 0.00 56.93 56.86 1x47 s PHE 48 Cb 0.08 -3.71 -0.02 0.00 0.51 0.00 0.00 43.02 39.88 1x47 s PHE 48 CO 0.64 -0.93 -0.14 0.20 0.70 0.00 0.00 175.22 175.69 1x47 s GLY 49 N 2.06 0.78 0.12 4.36 0.00 -1.26 -0.45 107.32 112.93 1x47 s GLY 49 Ca 0.34 -0.80 -0.11 0.00 0.00 0.00 0.00 44.72 44.16 1x47 s GLY 49 CO 0.22 -0.76 0.28 0.00 0.00 0.00 0.00 173.10 172.83 1x47 s ALA 50 N -0.79 -0.37 0.14 3.20 0.00 0.08 -3.36 121.76 120.66 1x47 s ALA 50 Ca 0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1x47 s ALA 50 Cb -0.08 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1x47 s ALA 50 CO 0.01 -0.59 0.06 0.45 0.00 0.00 0.00 175.76 175.69 1x47 s SER 51 N -2.88 0.41 -0.31 0.00 0.15 0.21 -1.35 113.70 109.93 1x47 s SER 51 Ca 0.08 -1.22 0.01 0.00 0.70 0.00 0.00 55.95 55.52 1x47 s SER 51 Cb 0.03 0.28 0.07 0.00 -1.71 0.00 0.00 66.02 64.70 1x47 s SER 51 CO -0.08 -0.72 0.00 -0.69 1.20 0.00 0.00 173.24 172.95 1x47 s VAL 52 N -4.01 2.58 -0.23 4.45 1.01 0.92 -0.71 120.40 124.41 1x47 s VAL 52 Ca 0.26 -1.80 -0.13 0.00 0.00 0.00 0.00 61.98 60.30 1x47 s VAL 52 Cb 0.07 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1x47 s VAL 52 CO 0.03 -0.28 0.29 0.42 0.00 0.00 0.00 175.10 175.56 1x47 s THR 53 N 1.10 5.27 -0.50 3.92 -4.23 0.49 -2.48 115.64 119.20 1x47 s THR 53 Ca -0.01 0.45 -0.17 0.00 -1.18 0.00 0.00 61.69 60.79 1x47 s THR 53 Cb -0.20 -3.62 0.08 0.00 1.34 0.00 0.00 72.50 70.10 1x47 s THR 53 CO -0.05 0.28 0.49 -0.63 -0.54 0.00 0.00 174.62 174.18 1x47 s ILE 54 N 1.29 5.12 -1.10 2.99 1.01 0.49 -0.30 121.20 130.69 1x47 s ILE 54 Ca 0.13 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1x47 s ILE 54 Cb -0.14 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1x47 s ILE 54 CO 0.07 -0.73 0.00 -0.67 0.00 0.00 0.00 174.94 173.60 1x47 n ASP 55 N 5.52 -4.98 0.00 3.58 2.03 -1.26 -0.92 116.55 120.52 1x47 n ASP 55 Ca -0.11 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1x47 n ASP 55 Cb 0.43 -3.39 0.00 0.00 -0.72 0.00 0.00 41.12 37.44 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 -0.74 2.48 3.68 0.27 0.00 -1.26 -5.06 105.19 104.56 1x47 n GLY 56 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.41 4.83 0.45 1.61 1.01 -0.09 -4.94 120.40 120.85 1x47 s VAL 57 Ca 0.00 1.82 -0.22 0.00 0.00 0.00 0.00 61.98 63.59 1x47 s VAL 57 Cb 0.00 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1x47 s VAL 57 CO 0.00 0.00 1.05 -0.89 0.00 0.00 0.00 175.10 175.26 1x47 s THR 58 N 2.17 3.74 0.00 3.92 2.01 -1.26 0.18 115.64 126.40 1x47 s THR 58 Ca 0.43 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.61 1x47 s THR 58 Cb -0.17 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1x47 s THR 58 CO 0.14 -0.14 0.00 -1.22 -0.69 0.00 0.00 174.62 172.71 1x47 n TYR 59 N -0.60 0.00 -3.65 4.92 4.02 -1.04 -4.87 117.16 115.95 1x47 n TYR 59 Ca 0.08 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.60 1x47 n TYR 59 Cb 0.51 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.76 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 -1.60 2.22 -0.14 2.72 0.00 -1.25 -4.79 107.32 104.48 1x47 s GLY 60 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 44.72 44.11 1x47 s GLY 60 CO 0.00 0.13 0.36 -1.35 0.00 0.00 0.00 173.10 172.24 1x47 s SER 61 N -0.19 -0.38 0.25 1.64 1.04 -1.26 -0.06 113.70 114.74 1x47 s SER 61 Ca 0.16 0.73 -0.18 0.00 0.48 0.00 0.00 55.95 57.14 1x47 s SER 61 Cb -0.13 0.72 0.07 0.00 0.10 0.00 0.00 66.02 66.77 1x47 s SER 61 CO 0.05 -0.13 0.88 0.61 0.98 0.00 0.00 173.24 175.62 1x47 n GLY 62 N 3.10 0.80 3.29 7.32 0.00 -0.46 -4.84 105.19 114.40 1x47 n GLY 62 Ca -0.15 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 1x47 n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x47 s THR 63 N -2.12 0.46 0.26 2.61 -4.23 -1.26 -0.74 115.64 110.62 1x47 s THR 63 Ca 0.19 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.59 1x47 s THR 63 Cb -0.03 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.27 1x47 s THR 63 CO 0.08 -0.03 0.57 0.00 -0.54 0.00 0.00 174.62 174.69 1x47 n ALA 64 N -0.41 -1.30 0.19 3.99 0.00 0.40 -4.65 120.51 118.72 1x47 n ALA 64 Ca -0.00 -0.86 0.07 0.00 0.00 0.00 0.00 53.44 52.65 1x47 n ALA 64 Cb 0.66 0.67 0.27 0.00 0.00 0.00 0.00 19.45 21.04 1x47 n ALA 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x47 h SER 65 N 1.37 0.00 -0.72 0.00 0.87 -1.85 -3.24 113.55 109.98 1x47 h SER 65 Ca -0.23 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.67 1x47 h SER 65 Cb 0.85 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.69 1x47 h SER 65 CO 0.29 0.34 -0.52 -0.55 -0.53 0.00 0.00 176.83 175.86 1x47 s SER 66 N -6.33 4.13 -0.04 6.23 0.15 -1.26 -4.83 113.70 111.74 1x47 s SER 66 Ca 0.02 -1.54 -0.21 0.00 0.70 0.00 0.00 55.95 54.92 1x47 s SER 66 Cb 0.09 0.26 -0.32 0.00 -1.71 0.00 0.00 66.02 64.35 1x47 s SER 66 CO 0.69 -0.77 0.90 0.50 1.20 0.00 0.00 173.24 175.76 1x47 h LYS 67 N 1.40 0.32 0.53 5.44 3.64 -1.91 -3.21 116.57 122.78 1x47 h LYS 67 Ca -0.43 -0.54 -0.02 0.00 -1.27 0.00 0.00 60.65 58.39 1x47 h LYS 67 Cb 1.29 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.30 1x47 h LYS 67 CO 0.74 1.26 -0.51 -0.22 -2.27 0.00 0.00 179.45 178.45 1x47 h LYS 68 N -0.33 -1.00 -1.00 1.90 3.64 -1.98 -1.22 116.57 116.58 1x47 h LYS 68 Ca -0.15 0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1x47 h LYS 68 Cb 1.69 0.23 -0.14 0.00 -0.41 0.00 0.00 32.23 33.59 1x47 h LYS 68 CO 0.16 -0.67 -0.49 -0.07 -2.27 0.00 0.00 179.45 176.11 1x47 h LEU 69 N -1.04 -1.80 -0.45 5.20 -0.00 -1.98 1.19 115.31 116.43 1x47 h LEU 69 Ca -0.07 0.32 0.08 0.00 -0.00 0.00 0.00 57.88 58.22 1x47 h LEU 69 Cb 0.89 0.86 -0.10 0.00 -0.00 0.00 0.00 40.66 42.32 1x47 h LEU 69 CO -0.05 -0.26 -0.35 0.00 -0.00 0.00 0.00 178.44 177.77 1x47 h ALA 70 N 0.93 -0.21 -0.95 1.53 0.00 -1.46 1.23 119.26 120.33 1x47 h ALA 70 Ca 0.25 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.33 1x47 h ALA 70 Cb 0.50 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1x47 h ALA 70 CO -0.96 -0.75 0.62 -0.22 0.00 0.00 0.00 179.25 177.94 1x47 h LYS 71 N -0.25 1.09 -0.47 0.00 3.64 0.13 0.87 116.57 121.58 1x47 h LYS 71 Ca 0.18 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1x47 h LYS 71 Cb 0.55 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1x47 h LYS 71 CO -0.58 0.72 0.19 -0.91 -2.27 0.00 0.00 179.45 176.59 1x47 h ASN 72 N 1.12 0.65 -0.21 4.20 2.35 0.57 -0.70 115.58 123.55 1x47 h ASN 72 Ca 0.40 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1x47 h ASN 72 Cb 0.15 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1x47 h ASN 72 CO -0.15 0.64 -0.05 0.11 -1.65 0.00 0.00 177.43 176.33 1x47 h LYS 73 N 0.61 0.40 -0.52 0.81 1.57 0.26 0.78 116.57 120.48 1x47 h LYS 73 Ca 0.16 -0.15 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 1x47 h LYS 73 Cb 0.19 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.39 1x47 h LYS 73 CO -0.01 0.65 -0.04 0.00 -0.57 0.00 0.00 179.45 179.47 1x47 h ALA 74 N 0.74 0.45 0.04 3.86 0.00 0.94 0.67 119.26 125.96 1x47 h ALA 74 Ca 0.05 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1x47 h ALA 74 Cb 0.50 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1x47 h ALA 74 CO 0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 179.25 178.84 1x47 h ALA 75 N 1.49 -0.05 -0.86 0.00 0.00 -1.00 -2.38 119.26 116.46 1x47 h ALA 75 Ca 0.26 -0.28 0.22 0.00 0.00 0.00 0.00 54.91 55.12 1x47 h ALA 75 Cb 0.41 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.08 1x47 h ALA 75 CO -0.48 -0.24 0.21 -0.09 0.00 0.00 0.00 179.25 178.66 1x47 h ARG 76 N -0.63 0.20 0.46 0.00 2.43 0.13 0.16 114.38 117.13 1x47 h ARG 76 Ca -0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1x47 h ARG 76 Cb 0.57 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1x47 h ARG 76 CO 0.01 0.13 -0.22 0.00 -1.51 0.00 0.00 179.97 178.38 1x47 h ALA 77 N 1.76 -0.62 -1.16 2.80 0.00 0.33 -2.01 119.26 120.36 1x47 h ALA 77 Ca 0.53 -0.17 0.33 0.00 0.00 0.00 0.00 54.91 55.59 1x47 h ALA 77 Cb 1.04 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 1x47 h ALA 77 CO -0.64 -0.77 0.78 1.15 0.00 0.00 0.00 179.25 179.77 1x47 h THR 78 N -0.78 0.41 0.47 0.00 2.02 -0.36 0.24 112.91 114.90 1x47 h THR 78 Ca -0.06 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1x47 h THR 78 Cb 0.55 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1x47 h THR 78 CO 0.10 0.04 -0.22 -0.07 0.37 0.00 0.00 175.52 175.74 1x47 h LEU 79 N 0.21 -0.53 -0.82 2.58 3.38 -0.33 -2.69 115.31 117.10 1x47 h LEU 79 Ca 0.63 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.81 1x47 h LEU 79 Cb 1.98 0.14 -0.15 0.00 0.09 0.00 0.00 40.66 42.71 1x47 h LEU 79 CO -0.22 -0.28 -0.03 -0.33 0.09 0.00 0.00 178.44 177.67 1x47 h GLU 80 N -0.83 0.06 -0.47 1.13 5.08 -0.42 1.55 114.58 120.69 1x47 h GLU 80 Ca -0.06 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1x47 h GLU 80 Cb 0.48 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.62 1x47 h GLU 80 CO 0.11 0.04 -0.29 0.82 -1.00 0.00 0.00 179.01 178.69 1x47 h ILE 81 N 0.07 0.26 0.11 3.13 2.04 -1.01 -3.09 117.51 119.01 1x47 h ILE 81 Ca 0.45 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.31 1x47 h ILE 81 Cb 0.81 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1x47 h ILE 81 CO -0.76 0.00 -0.05 -0.07 0.00 0.00 0.00 178.15 177.27 1x47 h LEU 82 N -0.19 -0.12 -8.89 1.44 3.38 -0.07 -3.42 115.31 107.44 1x47 h LEU 82 Ca 0.20 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.61 1x47 h LEU 82 Cb 0.52 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1x47 h LEU 82 CO -0.57 0.04 0.89 -0.63 0.09 0.00 0.00 178.44 178.26 1x47 s ILE 83 N -2.02 4.36 0.14 1.22 1.01 0.49 -4.89 121.20 121.50 1x47 s ILE 83 Ca -0.02 1.51 -0.04 0.00 0.00 0.00 0.00 60.65 62.11 1x47 s ILE 83 Cb 0.00 -4.42 -0.16 0.00 0.01 0.00 0.00 42.46 37.89 1x47 s ILE 83 CO 0.06 -0.63 1.35 1.55 0.00 0.00 0.00 174.94 177.27 1x47 h PRO 84 N 8.64 0.43 -2.80 2.79 0.13 -1.82 -3.32 132.00 136.04 1x47 h PRO 84 Ca -0.22 -0.41 -0.61 0.00 -0.87 0.00 0.00 66.00 63.88 1x47 h PRO 84 Cb 1.07 0.11 -0.41 0.00 0.13 0.00 0.00 31.00 31.89 1x47 h PRO 84 CO 1.06 1.07 -0.66 -3.47 -0.23 0.00 0.00 178.00 175.77 1x47 n ASP 85 N -3.78 2.48 -0.11 1.44 2.03 -1.26 -4.87 116.55 112.47 1x47 n ASP 85 Ca -0.06 -3.10 -0.24 0.00 0.52 0.00 0.00 54.79 51.91 1x47 n ASP 85 Cb 0.79 -0.71 -0.11 0.00 -0.72 0.00 0.00 41.12 40.37 1x47 n ASP 85 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1x47 n PHE 86 N 1.91 0.33 -4.02 -0.67 7.35 -1.26 -4.98 117.46 116.12 1x47 n PHE 86 Ca 0.23 0.11 -0.25 0.00 -0.76 0.00 0.00 57.45 56.79 1x47 n PHE 86 Cb 0.39 -1.04 -0.04 0.00 0.35 0.00 0.00 39.48 39.14 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 -2.49 4.89 -0.01 -2.13 1.01 -1.26 -5.05 120.40 115.36 1x47 s VAL 87 Ca -0.34 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.44 1x47 s VAL 87 Cb 0.11 -3.56 -0.11 0.00 0.00 0.00 0.00 36.38 32.82 1x47 s VAL 87 CO 0.57 -0.18 0.88 0.50 0.00 0.00 0.00 175.10 176.87 1x47 h LYS 88 N 1.95 -0.72 -3.75 2.72 3.64 -2.01 -3.34 116.57 115.06 1x47 h LYS 88 Ca -0.49 0.05 -0.76 0.00 -1.27 0.00 0.00 60.65 58.18 1x47 h LYS 88 Cb 1.21 0.16 -0.18 0.00 -0.41 0.00 0.00 32.23 33.01 1x47 h LYS 88 CO 0.64 -0.48 1.63 1.04 -2.27 0.00 0.00 179.45 180.01 1x47 n GLN 89 N -5.12 3.66 -2.45 1.90 1.13 -1.26 -5.00 117.38 110.24 1x47 n GLN 89 Ca -0.09 -3.78 -0.34 0.00 -1.94 0.00 0.00 57.00 50.84 1x47 n GLN 89 Cb 0.29 -2.88 -0.02 0.00 0.11 0.00 0.00 30.24 27.74 1x47 n GLN 89 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1x47 s THR 90 N 0.21 3.58 -0.10 5.09 2.01 -1.25 -5.06 115.64 120.12 1x47 s THR 90 Ca 0.39 0.99 -0.26 0.00 0.31 0.00 0.00 61.69 63.13 1x47 s THR 90 Cb 0.05 -3.40 0.06 0.00 0.01 0.00 0.00 72.50 69.21 1x47 s THR 90 CO 0.01 -0.20 0.60 -0.55 -0.69 0.00 0.00 174.62 173.79 1x47 s SER 91 N -1.90 -0.58 -0.08 3.53 0.15 -1.26 -5.15 113.70 108.42 1x47 s SER 91 Ca 0.69 0.77 -0.30 0.00 0.70 0.00 0.00 55.95 57.81 1x47 s SER 91 Cb -0.19 0.72 0.12 0.00 -1.71 0.00 0.00 66.02 64.95 1x47 s SER 91 CO 0.22 -0.47 0.97 -1.83 1.20 0.00 0.00 173.24 173.34 1x47 s GLU 92 N -0.77 0.67 -0.16 5.44 -1.05 -1.26 -5.08 118.70 116.48 1x47 s GLU 92 Ca -0.08 -0.15 -0.12 0.00 -0.15 0.00 0.00 54.97 54.47 1x47 s GLU 92 Cb -0.02 0.31 -0.07 0.00 -0.44 0.00 0.00 34.13 33.91 1x47 s GLU 92 CO 0.06 -0.27 -0.10 -1.13 0.95 0.00 0.00 175.26 174.78 1x47 n SER 93 N 0.05 1.82 0.00 0.83 3.41 -1.26 -5.08 113.62 113.39 1x47 n SER 93 Ca -0.08 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1x47 n SER 93 Cb 0.60 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1x47 n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x47 n GLY 94 N 1.57 1.08 3.77 5.00 0.00 -1.26 -5.17 105.19 110.17 1x47 n GLY 94 Ca -0.14 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 0.26 0.27 1.61 0.04 -1.26 -5.03 135.00 128.88 1x47 s PRO 95 Ca 0.00 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.00 1x47 s PRO 95 Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1x47 s PRO 95 CO 0.00 -2.73 0.00 0.43 0.04 0.00 0.00 177.00 174.74 1x47 n SER 96 N -4.07 -0.07 0.00 6.66 7.64 -1.26 -5.02 113.62 117.50 1x47 n SER 96 Ca 0.11 0.45 -0.03 0.00 1.01 0.00 0.00 58.87 60.41 1x47 n SER 96 Cb 0.59 0.34 -0.01 0.00 -1.01 0.00 0.00 64.21 64.12 1x47 n SER 96 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x47 n SER 97 N -3.44 1.11 -0.90 6.43 7.64 -1.26 -5.31 113.62 117.88 1x47 n SER 97 Ca 0.00 0.16 0.11 0.00 1.01 0.00 0.00 58.87 60.15 1x47 n SER 97 Cb 0.00 -0.38 0.09 0.00 -1.01 0.00 0.00 64.21 62.92 1x47 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64