#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x65 n SER 2 N 0.00 0.71 -4.79 1.61 7.64 -1.26 -5.09 113.62 112.44 1x65 n SER 2 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1x65 n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1x65 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x65 s SER 3 N -4.20 6.55 -0.06 6.43 0.01 -1.26 -5.06 113.70 116.10 1x65 s SER 3 Ca 0.00 1.96 -0.04 0.00 1.31 0.00 0.00 55.95 59.18 1x65 s SER 3 Cb 0.00 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1x65 s SER 3 CO 0.00 -0.64 0.15 -0.83 0.41 0.00 0.00 173.24 172.33 1x65 s GLY 4 N -1.83 -0.07 0.03 3.44 0.00 -1.26 -5.16 107.32 102.47 1x65 s GLY 4 Ca 0.63 0.60 0.04 0.00 0.00 0.00 0.00 44.72 45.99 1x65 s GLY 4 CO 0.22 0.77 -0.12 -0.45 0.00 0.00 0.00 173.10 173.52 1x65 s SER 5 N 0.75 1.42 0.00 1.64 0.15 -1.26 -5.02 113.70 111.38 1x65 s SER 5 Ca -0.06 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1x65 s SER 5 Cb -0.07 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1x65 s SER 5 CO -0.04 0.03 0.00 -0.24 1.20 0.00 0.00 173.24 174.19 1x65 n SER 6 N 2.11 0.00 -3.81 5.45 2.88 -1.26 -5.05 113.62 113.94 1x65 n SER 6 Ca -0.17 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.07 1x65 n SER 6 Cb 0.55 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.86 1x65 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x65 s GLY 7 N -2.69 1.05 -0.26 0.46 0.00 -1.26 -5.11 107.32 99.50 1x65 s GLY 7 Ca 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 44.72 43.36 1x65 s GLY 7 CO 0.00 1.31 0.14 1.09 0.00 0.00 0.00 173.10 175.64 1x65 s ARG 8 N 1.60 3.86 0.18 2.90 3.03 -1.26 -4.76 118.95 124.51 1x65 s ARG 8 Ca 0.01 -0.37 0.04 0.00 2.03 0.00 0.00 55.73 57.44 1x65 s ARG 8 Cb -0.18 -3.52 -0.03 0.00 -1.03 0.00 0.00 34.95 30.19 1x65 s ARG 8 CO -0.13 -0.15 0.26 -1.21 -1.13 0.00 0.00 175.30 172.94 1x65 s GLU 9 N 1.61 3.26 0.20 3.89 0.41 -1.09 -4.97 118.70 122.01 1x65 s GLU 9 Ca 0.07 -0.74 0.09 0.00 -0.41 0.00 0.00 54.97 53.97 1x65 s GLU 9 Cb -0.15 -2.83 -0.05 0.00 -1.78 0.00 0.00 34.13 29.32 1x65 s GLU 9 CO 0.08 0.48 -0.17 -1.64 -0.49 0.00 0.00 175.26 173.52 1x65 s MET 10 N -3.42 1.38 0.16 1.61 -1.94 -1.26 -2.70 119.30 113.13 1x65 s MET 10 Ca 0.33 -1.56 -0.25 0.00 -1.71 0.00 0.00 55.69 52.51 1x65 s MET 10 Cb -0.10 -1.35 0.06 0.00 2.01 0.00 0.00 34.83 35.45 1x65 s MET 10 CO 0.27 0.25 0.92 0.20 -0.01 0.00 0.00 175.02 176.65 1x65 s GLY 11 N -3.09 -0.24 -0.06 -0.03 0.00 -1.16 -4.24 107.32 98.49 1x65 s GLY 11 Ca 0.21 0.14 -0.01 0.00 0.00 0.00 0.00 44.72 45.07 1x65 s GLY 11 CO 0.08 0.02 -0.00 -1.34 0.00 0.00 0.00 173.10 171.86 1x65 s VAL 12 N -3.37 4.21 -0.98 1.40 -7.23 -1.22 -1.86 120.40 111.35 1x65 s VAL 12 Ca 0.11 -0.37 -0.23 0.00 -1.81 0.00 0.00 61.98 59.68 1x65 s VAL 12 Cb -0.02 -2.80 0.01 0.00 0.56 0.00 0.00 36.38 34.14 1x65 s VAL 12 CO 0.02 0.54 1.64 -0.63 -0.31 0.00 0.00 175.10 176.36 1x65 s ILE 13 N -0.94 3.75 0.55 -0.62 -1.09 -1.20 -0.98 121.20 120.67 1x65 s ILE 13 Ca 0.15 -0.64 0.26 0.00 -2.23 0.00 0.00 60.65 58.19 1x65 s ILE 13 Cb -0.11 -4.67 0.32 0.00 -1.58 0.00 0.00 42.46 36.41 1x65 s ILE 13 CO 0.05 -1.57 2.20 0.00 -1.23 0.00 0.00 174.94 174.38 1x65 h ALA 14 N 10.30 1.59 -2.09 9.38 0.00 -1.67 -1.44 119.26 135.33 1x65 h ALA 14 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1x65 h ALA 14 Cb 1.00 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.61 1x65 h ALA 14 CO 1.35 0.03 0.26 0.00 0.00 0.00 0.00 179.25 180.89 1x65 s ALA 15 N -4.66 -1.77 -0.44 0.00 0.00 -1.22 -4.88 121.76 108.79 1x65 s ALA 15 Ca -0.05 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.22 1x65 s ALA 15 Cb 0.15 0.04 0.30 0.00 0.00 0.00 0.00 23.12 23.61 1x65 s ALA 15 CO 0.58 -0.43 0.93 0.00 0.00 0.00 0.00 175.76 176.84 1x65 n MET 16 N 0.65 0.92 -0.27 0.00 3.85 -1.26 0.21 117.12 121.22 1x65 n MET 16 Ca -0.17 -2.30 -0.31 0.00 -1.00 0.00 0.00 57.70 53.92 1x65 n MET 16 Cb 0.58 -1.29 0.30 0.00 -1.05 0.00 0.00 33.22 31.76 1x65 n MET 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1x65 s ARG 17 N -0.31 -3.41 -1.11 3.17 1.81 -0.36 -4.84 118.95 113.91 1x65 s ARG 17 Ca 0.29 0.07 -0.21 0.00 -1.72 0.00 0.00 55.73 54.16 1x65 s ARG 17 Cb 0.28 -1.33 0.06 0.00 -0.45 0.00 0.00 34.95 33.51 1x65 s ARG 17 CO -0.11 -5.17 1.52 -0.51 -0.68 0.00 0.00 175.30 170.35 1x65 s ASP 18 N -3.16 6.63 0.00 0.23 1.01 -1.26 -3.33 116.67 116.78 1x65 s ASP 18 Ca 0.68 -1.84 0.00 0.00 0.71 0.00 0.00 52.55 52.10 1x65 s ASP 18 Cb -0.12 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.25 1x65 s ASP 18 CO 0.57 -1.36 0.00 0.61 0.21 0.00 0.00 175.17 175.20 1x65 n GLY 19 N 6.27 1.88 1.96 0.21 0.00 -1.26 -5.12 105.19 109.13 1x65 n GLY 19 Ca 0.38 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 1x65 n GLY 19 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1x65 n PHE 20 N 0.00 -1.45 -2.51 1.61 -1.74 -1.21 -4.39 117.46 107.78 1x65 n PHE 20 Ca 0.00 -1.12 0.00 0.00 -0.56 0.00 0.00 57.45 55.77 1x65 n PHE 20 Cb 0.00 0.42 0.00 0.00 1.52 0.00 0.00 39.48 41.42 1x65 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1x65 n GLY 21 N -0.30 2.34 3.42 4.97 0.00 -1.16 -1.22 105.19 113.24 1x65 n GLY 21 Ca -0.03 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 1x65 n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x65 s PHE 22 N -4.65 -0.51 -0.26 1.61 0.08 0.13 -3.77 117.98 110.61 1x65 s PHE 22 Ca 0.00 1.01 -0.01 0.00 0.12 0.00 0.00 56.93 58.04 1x65 s PHE 22 Cb 0.00 0.26 0.08 0.00 -0.57 0.00 0.00 43.02 42.79 1x65 s PHE 22 CO 0.00 -0.45 0.06 0.42 -0.10 0.00 0.00 175.22 175.15 1x65 s ILE 23 N -0.76 0.82 -0.20 0.64 1.01 -1.21 -1.63 121.20 119.87 1x65 s ILE 23 Ca -0.08 -1.09 -0.29 0.00 0.00 0.00 0.00 60.65 59.19 1x65 s ILE 23 Cb -0.03 -1.46 -0.06 0.00 0.01 0.00 0.00 42.46 40.92 1x65 s ILE 23 CO 0.05 -0.45 2.18 1.17 0.00 0.00 0.00 174.94 177.90 1x65 n LYS 24 N 4.90 2.00 -2.57 2.79 4.81 -0.15 -0.93 118.16 129.02 1x65 n LYS 24 Ca -0.06 0.58 -0.43 0.00 -0.87 0.00 0.00 58.31 57.54 1x65 n LYS 24 Cb 0.44 -3.13 -0.02 0.00 0.02 0.00 0.00 35.03 32.34 1x65 n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x65 h VAL 26 N 5.30 1.14 -0.00 0.00 2.07 -1.92 -2.84 116.25 120.00 1x65 h VAL 26 Ca -0.26 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 66.46 1x65 h VAL 26 Cb 1.11 1.17 0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1x65 h VAL 26 CO 0.93 0.19 -0.66 -0.78 0.02 0.00 0.00 177.57 177.27 1x65 h ASP 27 N 0.17 0.59 -1.07 0.57 1.82 -1.91 -3.46 116.42 113.13 1x65 h ASP 27 Ca 0.04 -0.76 -0.49 0.00 -0.39 0.00 0.00 57.03 55.43 1x65 h ASP 27 Cb 0.29 -0.18 0.05 0.00 0.68 0.00 0.00 39.33 40.17 1x65 h ASP 27 CO 0.02 1.27 -0.02 -0.13 -1.61 0.00 0.00 179.24 178.77 1x65 s ARG 28 N -3.23 2.02 -0.02 0.28 1.81 -1.07 -5.04 118.95 113.71 1x65 s ARG 28 Ca -0.13 -1.56 0.20 0.00 -1.72 0.00 0.00 55.73 52.52 1x65 s ARG 28 Cb 0.04 -2.54 -0.27 0.00 -0.45 0.00 0.00 34.95 31.73 1x65 s ARG 28 CO 0.84 -1.13 0.60 -0.40 -0.68 0.00 0.00 175.30 174.52 1x65 n ASP 29 N -2.48 0.63 -4.74 0.23 5.75 -1.26 -4.57 116.55 110.11 1x65 n ASP 29 Ca 0.17 -0.39 -0.29 0.00 -0.01 0.00 0.00 54.79 54.27 1x65 n ASP 29 Cb 0.62 1.54 -0.07 0.00 -1.03 0.00 0.00 41.12 42.18 1x65 n ASP 29 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1x65 s VAL 30 N -3.16 4.23 0.16 2.12 -7.23 -1.26 -4.91 120.40 110.36 1x65 s VAL 30 Ca -0.01 -1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 59.10 1x65 s VAL 30 Cb 0.14 -3.08 0.04 0.00 0.56 0.00 0.00 36.38 34.04 1x65 s VAL 30 CO 0.82 0.02 0.14 0.54 -0.31 0.00 0.00 175.10 176.30 1x65 n ARG 31 N 0.17 -1.46 -3.63 4.82 1.74 -1.26 -3.49 116.66 113.56 1x65 n ARG 31 Ca -0.09 -0.22 -0.29 0.00 -0.77 0.00 0.00 57.85 56.47 1x65 n ARG 31 Cb 0.53 -0.22 -0.14 0.00 -1.02 0.00 0.00 32.46 31.61 1x65 n ARG 31 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1x65 s MET 32 N -3.31 0.57 0.10 5.56 -2.45 -0.10 -4.74 119.30 114.92 1x65 s MET 32 Ca 0.09 -1.02 -0.36 0.00 -1.25 0.00 0.00 55.69 53.15 1x65 s MET 32 Cb -0.01 -1.65 -0.17 0.00 1.25 0.00 0.00 34.83 34.25 1x65 s MET 32 CO 0.07 -1.05 1.27 0.34 1.05 0.00 0.00 175.02 176.70 1x65 n PHE 33 N 4.73 1.36 -4.09 4.11 7.35 -1.26 -3.31 117.46 126.34 1x65 n PHE 33 Ca -0.00 0.69 -0.14 0.00 -0.76 0.00 0.00 57.45 57.24 1x65 n PHE 33 Cb 0.40 -2.29 -0.12 0.00 0.35 0.00 0.00 39.48 37.82 1x65 n PHE 33 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 1x65 s PHE 34 N 0.28 0.59 0.21 -5.13 -0.12 -1.25 -4.52 117.98 108.04 1x65 s PHE 34 Ca 0.83 -0.35 0.00 0.00 -0.05 0.00 0.00 56.93 57.35 1x65 s PHE 34 Cb -0.97 -0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 41.02 1x65 s PHE 34 CO 0.49 -0.06 0.39 -1.01 -0.05 0.00 0.00 175.22 174.98 1x65 s HIS 35 N -0.93 3.48 -0.02 3.49 3.76 -1.26 -3.01 115.29 120.80 1x65 s HIS 35 Ca -0.06 0.30 -0.02 0.00 -0.15 0.00 0.00 55.06 55.13 1x65 s HIS 35 Cb -0.07 -1.82 -0.06 0.00 1.11 0.00 0.00 32.58 31.74 1x65 s HIS 35 CO 0.00 0.38 2.45 1.19 -0.85 0.00 0.00 174.74 177.91 1x65 n PHE 36 N -0.75 0.10 0.00 1.40 3.01 -1.26 -3.30 117.46 116.67 1x65 n PHE 36 Ca -0.05 -1.20 0.00 0.00 1.01 0.00 0.00 57.45 57.21 1x65 n PHE 36 Cb 0.54 -0.83 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 1x65 n PHE 36 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1x65 n SER 37 N 1.70 3.66 0.06 4.37 7.64 -1.26 -4.69 113.62 125.10 1x65 n SER 37 Ca 0.14 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.15 1x65 n SER 37 Cb 0.62 0.52 0.40 0.00 -1.01 0.00 0.00 64.21 64.74 1x65 n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x65 n GLU 38 N -1.39 0.17 0.00 1.43 4.71 -1.21 -3.43 120.64 120.93 1x65 n GLU 38 Ca 0.00 0.11 0.08 0.00 -0.01 0.00 0.00 57.16 57.34 1x65 n GLU 38 Cb 0.21 -1.67 0.49 0.00 -1.01 0.00 0.00 31.44 29.47 1x65 n GLU 38 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1x65 n ILE 39 N -1.95 0.00 0.20 -3.67 5.41 -1.26 -0.82 119.36 117.26 1x65 n ILE 39 Ca 0.05 0.00 0.18 0.00 1.00 0.00 0.00 62.75 63.98 1x65 n ILE 39 Cb 0.40 -0.72 0.77 0.00 -0.71 0.00 0.00 39.64 39.38 1x65 n ILE 39 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1x65 h LEU 40 N 0.00 0.00 -1.85 1.39 8.10 -1.83 -1.68 115.31 119.44 1x65 h LEU 40 Ca 0.00 0.00 0.47 0.00 0.11 0.00 0.00 57.88 58.46 1x65 h LEU 40 Cb 0.00 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.14 1x65 h LEU 40 CO 0.00 0.00 1.11 -0.78 -4.11 0.00 0.00 178.44 174.66 1x65 h ASP 41 N 0.00 0.07 0.00 0.17 1.82 -1.70 -3.44 116.42 113.34 1x65 h ASP 41 Ca 0.11 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1x65 h ASP 41 Cb 0.91 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1x65 h ASP 41 CO -0.00 -0.04 0.00 0.61 -1.61 0.00 0.00 179.24 178.20 1x65 n GLY 42 N -1.78 0.67 0.00 -0.78 0.00 -0.63 -5.04 105.19 97.63 1x65 n GLY 42 Ca 0.37 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1x65 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x65 n ASN 43 N 0.00 0.00 -4.56 1.61 3.02 -1.26 -4.86 115.26 109.22 1x65 n ASN 43 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 1x65 n ASN 43 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1x65 n ASN 43 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1x65 s GLN 44 N 0.00 3.09 0.94 3.52 0.74 -1.26 -4.84 119.66 121.85 1x65 s GLN 44 Ca 0.00 0.19 -0.13 0.00 0.05 0.00 0.00 55.36 55.47 1x65 s GLN 44 Cb 0.00 -4.21 0.03 0.00 1.10 0.00 0.00 33.01 29.93 1x65 s GLN 44 CO 0.00 -2.22 0.39 1.28 -0.55 0.00 0.00 175.29 174.19 1x65 n LEU 45 N 10.25 -0.26 -3.93 3.68 4.77 -1.26 -5.03 117.00 125.22 1x65 n LEU 45 Ca 0.10 0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 56.32 1x65 n LEU 45 Cb 0.50 -1.20 -0.10 0.00 -2.33 0.00 0.00 43.42 40.29 1x65 n LEU 45 CO 0.71 -3.65 -0.26 -1.00 -1.33 0.00 0.00 177.39 171.86 1x65 s HIS 46 N -2.36 0.16 -0.48 -1.77 3.76 -1.26 -5.09 115.29 108.25 1x65 s HIS 46 Ca 0.57 -0.36 -0.35 0.00 -0.15 0.00 0.00 55.06 54.76 1x65 s HIS 46 Cb -0.22 -0.13 -0.14 0.00 1.11 0.00 0.00 32.58 33.21 1x65 s HIS 46 CO 0.67 -0.26 2.28 -0.89 -0.85 0.00 0.00 174.74 175.69 1x65 n ILE 47 N 1.38 0.10 -1.78 0.60 2.08 -1.26 -1.95 119.36 118.53 1x65 n ILE 47 Ca -0.23 -0.23 -0.02 0.00 0.56 0.00 0.00 62.75 62.84 1x65 n ILE 47 Cb 0.56 -1.38 0.01 0.00 -0.75 0.00 0.00 39.64 38.08 1x65 n ILE 47 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x65 n ALA 48 N 10.11 -1.11 -3.01 -1.39 0.00 -0.54 -4.97 120.51 119.60 1x65 n ALA 48 Ca 0.47 0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.71 1x65 n ALA 48 Cb 0.18 -1.01 -0.16 0.00 0.00 0.00 0.00 19.45 18.47 1x65 n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x65 s ASP 49 N -2.76 1.38 0.33 0.00 1.11 -0.82 -4.81 116.67 111.09 1x65 s ASP 49 Ca 0.05 -0.22 -0.29 0.00 0.18 0.00 0.00 52.55 52.28 1x65 s ASP 49 Cb -0.01 -0.37 -0.11 0.00 1.07 0.00 0.00 42.92 43.51 1x65 s ASP 49 CO 0.12 0.08 1.46 -1.61 1.18 0.00 0.00 175.17 176.41 1x65 s GLU 50 N 0.16 4.19 0.06 8.23 2.02 -1.26 -3.28 118.70 128.83 1x65 s GLU 50 Ca -0.03 2.45 0.00 0.00 0.02 0.00 0.00 54.97 57.41 1x65 s GLU 50 Cb -0.09 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 1x65 s GLU 50 CO 0.01 -0.46 -0.05 0.14 0.02 0.00 0.00 175.26 174.92 1x65 s VAL 51 N -0.70 0.37 -0.12 2.63 -7.23 -0.78 -0.63 120.40 113.94 1x65 s VAL 51 Ca 0.55 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 59.18 1x65 s VAL 51 Cb -0.45 -1.19 -0.00 0.00 0.56 0.00 0.00 36.38 35.30 1x65 s VAL 51 CO 0.54 -0.79 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.64 1x65 s GLU 52 N -3.10 3.13 0.06 4.82 2.12 0.11 -2.99 118.70 122.85 1x65 s GLU 52 Ca 0.01 -0.82 -0.11 0.00 0.36 0.00 0.00 54.97 54.42 1x65 s GLU 52 Cb 0.01 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.99 1x65 s GLU 52 CO -0.05 0.14 0.23 -0.59 -0.54 0.00 0.00 175.26 174.45 1x65 s PHE 53 N 0.46 0.03 -0.03 5.30 -0.12 -1.10 -1.92 117.98 120.60 1x65 s PHE 53 Ca -0.14 -0.29 -0.19 0.00 -0.05 0.00 0.00 56.93 56.26 1x65 s PHE 53 Cb -0.17 0.01 -0.12 0.00 -0.63 0.00 0.00 43.02 42.11 1x65 s PHE 53 CO 0.06 -0.49 0.82 1.15 -0.05 0.00 0.00 175.22 176.71 1x65 h THR 54 N 3.17 0.33 -5.34 -4.49 2.02 -1.86 -2.89 112.91 103.86 1x65 h THR 54 Ca -0.33 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1x65 h THR 54 Cb 1.20 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.07 1x65 h THR 54 CO 0.50 0.08 -1.16 0.52 0.37 0.00 0.00 175.52 175.83 1x65 n VAL 55 N -5.10-10.03 -3.78 3.16 0.31 -1.21 -4.57 118.33 97.11 1x65 n VAL 55 Ca -0.08 1.94 -0.12 0.00 -0.01 0.00 0.00 64.34 66.07 1x65 n VAL 55 Cb 0.25 -5.78 -0.08 0.00 -0.91 0.00 0.00 33.84 27.33 1x65 n VAL 55 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1x65 s VAL 56 N -0.88 0.08 -0.28 2.52 -7.23 -1.26 -4.93 120.40 108.42 1x65 s VAL 56 Ca -0.14 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 1x65 s VAL 56 Cb 0.01 -0.81 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 1x65 s VAL 56 CO 0.61 -0.36 1.65 -2.16 -0.31 0.00 0.00 175.10 174.53 1x65 s PRO 57 N -2.13 3.61 0.34 4.82 0.04 -1.26 -4.16 135.00 136.25 1x65 s PRO 57 Ca -0.08 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.51 1x65 s PRO 57 Cb -0.03 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.41 1x65 s PRO 57 CO -0.01 -1.53 0.40 0.34 0.04 0.00 0.00 177.00 176.24 1x65 s ASP 58 N 4.84 5.68 0.00 6.66 -1.08 -1.26 -5.00 116.67 126.50 1x65 s ASP 58 Ca 0.73 -0.32 0.28 0.00 -0.52 0.00 0.00 52.55 52.72 1x65 s ASP 58 Cb -0.23 -1.12 1.39 0.00 -1.46 0.00 0.00 42.92 41.51 1x65 s ASP 58 CO 0.31 -0.40 1.93 1.15 0.52 0.00 0.00 175.17 178.68 1x65 n MET 59 N -1.53 1.34 -0.57 4.34 0.00 -1.26 -4.15 117.12 115.29 1x65 n MET 59 Ca -0.01 -0.50 0.46 0.00 0.00 0.00 0.00 57.70 57.65 1x65 n MET 59 Cb 0.59 -1.47 0.78 0.00 0.00 0.00 0.00 33.22 33.12 1x65 n MET 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1x65 h LEU 60 N 1.19 0.04 -0.43 3.17 3.38 -1.94 -3.46 115.31 117.25 1x65 h LEU 60 Ca 0.00 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.25 1x65 h LEU 60 Cb 0.25 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.89 1x65 h LEU 60 CO 0.00 -0.03 -0.92 -1.20 0.09 0.00 0.00 178.44 176.38 1x65 n SER 61 N -4.12 -5.70 0.00 -0.43 7.64 -1.26 -4.75 113.62 104.99 1x65 n SER 61 Ca 0.39 1.05 0.00 0.00 1.01 0.00 0.00 58.87 61.32 1x65 n SER 61 Cb 1.74 -3.59 0.00 0.00 -1.01 0.00 0.00 64.21 61.34 1x65 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x65 n ALA 62 N -3.66 0.00 -2.66 -0.43 0.00 -1.26 -4.85 120.51 107.64 1x65 n ALA 62 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 1x65 n ALA 62 Cb 0.50 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.99 1x65 n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x65 n GLN 63 N 0.00 0.52 0.00 0.00 6.02 -1.26 -5.14 117.38 117.51 1x65 n GLN 63 Ca 0.00 -1.29 0.00 0.00 -0.01 0.00 0.00 57.00 55.70 1x65 n GLN 63 Cb 0.00 -0.22 0.00 0.00 1.02 0.00 0.00 30.24 31.04 1x65 n GLN 63 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1x65 n ARG 64 N -1.71 3.22 -1.53 -1.09 0.63 -1.26 -4.98 116.66 109.94 1x65 n ARG 64 Ca 0.07 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.59 1x65 n ARG 64 Cb 0.26 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.18 1x65 n ARG 64 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1x65 n ASN 65 N 0.00 0.17 -4.07 6.15 3.02 -1.26 -4.80 115.26 114.47 1x65 n ASN 65 Ca 0.00 0.98 -0.15 0.00 -0.03 0.00 0.00 54.58 55.38 1x65 n ASN 65 Cb 0.00 -1.23 -0.12 0.00 -0.61 0.00 0.00 39.78 37.82 1x65 n ASN 65 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1x65 s HIS 66 N -1.35 0.80 -0.28 3.10 -3.43 -1.26 -4.93 115.29 107.94 1x65 s HIS 66 Ca 0.63 -0.40 -0.20 0.00 -0.80 0.00 0.00 55.06 54.30 1x65 s HIS 66 Cb -0.60 -0.48 -0.01 0.00 -1.43 0.00 0.00 32.58 30.06 1x65 s HIS 66 CO 0.57 -0.03 0.62 0.00 -2.00 0.00 0.00 174.74 173.90 1x65 s ALA 67 N -1.05 3.56 0.26 -1.38 0.00 -1.26 -3.28 121.76 118.61 1x65 s ALA 67 Ca -0.05 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.42 1x65 s ALA 67 Cb -0.08 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1x65 s ALA 67 CO 0.01 -0.96 0.09 0.96 0.00 0.00 0.00 175.76 175.86 1x65 s ILE 68 N 2.55 3.92 -0.46 0.00 -4.36 -1.26 -4.79 121.20 116.79 1x65 s ILE 68 Ca 0.25 -1.67 -0.23 0.00 -0.26 0.00 0.00 60.65 58.74 1x65 s ILE 68 Cb -0.15 -3.11 0.03 0.00 1.25 0.00 0.00 42.46 40.48 1x65 s ILE 68 CO 0.10 -0.36 0.53 0.54 0.24 0.00 0.00 174.94 175.99 1x65 n ARG 69 N -1.03 -1.48 -2.46 0.37 5.12 -1.26 -3.96 116.66 111.97 1x65 n ARG 69 Ca -0.07 0.99 -0.42 0.00 -1.93 0.00 0.00 57.85 56.42 1x65 n ARG 69 Cb 0.58 -1.67 -0.03 0.00 -1.16 0.00 0.00 32.46 30.19 1x65 n ARG 69 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1x65 s ILE 70 N -1.66 4.26 -0.19 0.55 1.01 -0.00 -4.56 121.20 120.60 1x65 s ILE 70 Ca 0.22 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.46 1x65 s ILE 70 Cb -0.02 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 38.48 1x65 s ILE 70 CO 0.72 -0.00 -0.07 -0.75 0.00 0.00 0.00 174.94 174.84 1x65 s LYS 71 N 2.21 1.67 0.08 2.79 2.20 -0.81 -4.08 119.74 123.81 1x65 s LYS 71 Ca 0.56 -0.73 -0.31 0.00 -0.36 0.00 0.00 55.97 55.13 1x65 s LYS 71 Cb -0.25 -2.28 -0.09 0.00 -1.51 0.00 0.00 37.83 33.71 1x65 s LYS 71 CO 0.22 -0.47 1.71 0.21 -0.36 0.00 0.00 175.35 176.65 1x65 s LYS 72 N 1.51 4.18 0.06 4.03 2.20 -1.26 0.08 119.74 130.54 1x65 s LYS 72 Ca -0.01 2.41 -0.00 0.00 -0.36 0.00 0.00 55.97 58.00 1x65 s LYS 72 Cb -0.16 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1x65 s LYS 72 CO -0.08 -0.77 0.21 -0.51 -0.36 0.00 0.00 175.35 173.85 1x65 s LEU 73 N 2.69 4.36 0.77 5.43 1.43 0.20 -4.91 118.68 128.65 1x65 s LEU 73 Ca 0.76 0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.04 1x65 s LEU 73 Cb -0.42 -2.95 0.06 0.00 0.03 0.00 0.00 46.19 42.91 1x65 s LEU 73 CO 0.33 0.17 1.09 -2.16 0.23 0.00 0.00 176.35 176.02 1x65 s PRO 74 N -2.49 2.26 -0.14 1.29 0.04 -1.26 -4.29 135.00 130.41 1x65 s PRO 74 Ca 0.35 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 1x65 s PRO 74 Cb -0.13 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1x65 s PRO 74 CO 0.27 -1.64 1.48 0.21 0.04 0.00 0.00 177.00 177.36 1x65 s LYS 75 N -4.89 4.12 0.00 4.56 2.20 -1.26 -3.33 119.74 121.14 1x65 s LYS 75 Ca 0.61 1.85 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 1x65 s LYS 75 Cb -0.17 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 1x65 s LYS 75 CO 0.56 -0.89 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1x65 n GLY 76 N 4.03 1.29 0.00 5.54 0.00 -1.26 -5.05 105.19 109.74 1x65 n GLY 76 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1x65 n GLY 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x65 n THR 77 N 0.00 0.00 -2.98 2.61 -1.04 -1.21 -4.92 114.28 106.74 1x65 n THR 77 Ca 0.00 0.55 -0.22 0.00 -2.04 0.00 0.00 64.05 62.33 1x65 n THR 77 Cb 0.00 -1.11 0.01 0.00 -1.82 0.00 0.00 70.33 67.41 1x65 n THR 77 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1x65 s VAL 78 N -0.77 3.87 -0.07 12.58 0.11 -1.26 -5.11 120.40 129.76 1x65 s VAL 78 Ca 0.00 -0.54 -0.32 0.00 -2.93 0.00 0.00 61.98 58.19 1x65 s VAL 78 Cb 0.00 -3.43 0.14 0.00 -1.53 0.00 0.00 36.38 31.56 1x65 s VAL 78 CO 0.00 -0.29 1.39 -0.44 -3.33 0.00 0.00 175.10 172.43 1x65 s SER 79 N -4.23 -0.02 -0.35 3.54 0.01 -1.26 -5.04 113.70 106.35 1x65 s SER 79 Ca 0.49 -0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.76 1x65 s SER 79 Cb -0.10 0.05 0.47 0.00 0.21 0.00 0.00 66.02 66.65 1x65 s SER 79 CO 0.37 -0.10 1.41 0.49 0.41 0.00 0.00 173.24 175.83 1x65 n PHE 80 N -0.55 2.11 -2.95 2.43 3.01 -1.26 -4.99 117.46 115.27 1x65 n PHE 80 Ca -0.08 -2.12 -0.11 0.00 1.01 0.00 0.00 57.45 56.15 1x65 n PHE 80 Cb 0.63 -0.56 0.01 0.00 -0.01 0.00 0.00 39.48 39.55 1x65 n PHE 80 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1x65 n HIS 81 N -0.90 -3.29 -3.20 1.38 -0.00 -1.26 -5.05 115.22 102.90 1x65 n HIS 81 Ca 0.42 1.37 0.04 0.00 0.46 0.00 0.00 57.72 60.00 1x65 n HIS 81 Cb 0.91 -3.54 -0.04 0.00 -0.12 0.00 0.00 29.99 27.20 1x65 n HIS 81 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1x65 s SER 82 N -2.12 -0.13 -0.20 0.26 0.15 -1.26 -5.14 113.70 105.25 1x65 s SER 82 Ca 0.20 0.17 -0.23 0.00 0.70 0.00 0.00 55.95 56.79 1x65 s SER 82 Cb -0.05 1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 65.40 1x65 s SER 82 CO 0.75 -0.03 0.75 -1.38 1.20 0.00 0.00 173.24 174.53 1x65 s HIS 83 N 2.17 3.37 -0.05 3.44 -3.43 -1.26 -5.00 115.29 114.54 1x65 s HIS 83 Ca -0.00 1.09 -0.31 0.00 -0.80 0.00 0.00 55.06 55.03 1x65 s HIS 83 Cb -0.02 -2.93 0.13 0.00 -1.43 0.00 0.00 32.58 28.32 1x65 s HIS 83 CO -0.16 -0.25 1.31 0.45 -2.00 0.00 0.00 174.74 174.09 1x65 s SER 84 N 1.23 -0.05 -0.10 7.38 0.15 -1.26 -5.19 113.70 115.86 1x65 s SER 84 Ca 0.33 -0.10 -0.24 0.00 0.70 0.00 0.00 55.95 56.65 1x65 s SER 84 Cb -0.16 0.13 0.05 0.00 -1.71 0.00 0.00 66.02 64.34 1x65 s SER 84 CO 0.10 -0.24 0.56 -0.83 1.20 0.00 0.00 173.24 174.04 1x65 s GLY 85 N -2.92 -0.43 0.54 9.45 0.00 -1.26 -5.16 107.32 107.53 1x65 s GLY 85 Ca 0.14 1.21 -0.20 0.00 0.00 0.00 0.00 44.72 45.87 1x65 s GLY 85 CO -0.04 0.93 1.13 2.56 0.00 0.00 0.00 173.10 177.68 1x65 s PRO 86 N -0.69 3.39 -0.30 2.90 0.04 -1.26 -5.05 135.00 134.03 1x65 s PRO 86 Ca -0.08 1.62 -0.07 0.00 0.04 0.00 0.00 61.00 62.51 1x65 s PRO 86 Cb -0.03 -2.03 0.18 0.00 0.04 0.00 0.00 34.50 32.67 1x65 s PRO 86 CO 0.05 -0.82 0.86 -1.54 0.04 0.00 0.00 177.00 175.59 1x65 s SER 87 N -1.75 -0.87 0.02 6.66 1.04 -1.26 -5.03 113.70 112.51 1x65 s SER 87 Ca 0.72 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1x65 s SER 87 Cb -0.24 1.67 0.00 0.00 0.10 0.00 0.00 66.02 67.55 1x65 s SER 87 CO 0.27 -0.16 0.00 -0.24 0.98 0.00 0.00 173.24 174.09 1x65 n SER 88 N 5.40 -0.17 0.00 7.02 2.88 -1.26 -5.36 113.62 122.12 1x65 n SER 88 Ca -0.01 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1x65 n SER 88 Cb 0.54 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42