#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 -5.88 -4.89 1.61 2.88 -1.26 -4.93 113.62 101.15 1x65 n SER 2 Ca 0.00 0.03 -0.29 0.00 -1.33 0.00 0.00 58.87 57.28 1x65 n SER 2 Cb 0.00 -1.76 -0.02 0.00 -0.75 0.00 0.00 64.21 61.67 1x65 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x65 s SER 3 N -1.37 6.43 0.00 -3.46 0.01 -1.26 -5.10 113.70 108.96 1x65 s SER 3 Ca 0.27 0.92 0.02 0.00 1.31 0.00 0.00 55.95 58.47 1x65 s SER 3 Cb -0.03 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 1x65 s SER 3 CO 0.64 -0.36 -0.06 -0.83 0.41 0.00 0.00 173.24 173.04 1x65 s GLY 4 N -3.39 0.29 -0.30 3.44 0.00 -1.26 -5.13 107.32 100.97 1x65 s GLY 4 Ca 0.47 -0.29 -0.18 0.00 0.00 0.00 0.00 44.72 44.73 1x65 s GLY 4 CO 0.34 -0.26 1.20 -1.35 0.00 0.00 0.00 173.10 173.02 1x65 s SER 5 N -0.30 -0.21 0.09 1.64 1.04 -1.26 -5.00 113.70 109.70 1x65 s SER 5 Ca 0.01 0.29 -0.21 0.00 0.48 0.00 0.00 55.95 56.52 1x65 s SER 5 Cb -0.03 1.20 -0.11 0.00 0.10 0.00 0.00 66.02 67.18 1x65 s SER 5 CO -0.00 -0.04 1.64 0.28 0.98 0.00 0.00 173.24 176.10 1x65 h SER 6 N 6.71 0.18 -3.10 7.02 0.02 -1.99 -3.49 113.55 118.90 1x65 h SER 6 Ca -0.17 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1x65 h SER 6 Cb 1.14 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1x65 h SER 6 CO 0.11 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.68 1x65 n GLY 7 N -0.77 1.28 3.61 -3.77 0.00 -1.26 -5.08 105.19 99.20 1x65 n GLY 7 Ca -0.05 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 1x65 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x65 s ARG 8 N -1.45 3.99 0.29 1.61 0.52 -1.26 -3.16 118.95 119.49 1x65 s ARG 8 Ca 0.00 -0.23 0.09 0.00 -0.52 0.00 0.00 55.73 55.07 1x65 s ARG 8 Cb 0.00 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 1x65 s ARG 8 CO 0.00 -0.15 0.05 -1.21 0.02 0.00 0.00 175.30 174.00 1x65 s GLU 9 N 1.69 2.32 0.17 3.54 2.02 -1.10 -4.93 118.70 122.40 1x65 s GLU 9 Ca 0.09 -1.48 0.07 0.00 0.02 0.00 0.00 54.97 53.67 1x65 s GLU 9 Cb -0.16 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 1x65 s GLU 9 CO 0.10 0.27 0.00 -1.64 0.02 0.00 0.00 175.26 174.01 1x65 s MET 10 N -3.73 2.42 -0.00 1.61 -1.94 -1.26 -3.06 119.30 113.34 1x65 s MET 10 Ca 0.34 -1.10 -0.29 0.00 -1.71 0.00 0.00 55.69 52.93 1x65 s MET 10 Cb -0.05 -2.37 0.10 0.00 2.01 0.00 0.00 34.83 34.53 1x65 s MET 10 CO 0.21 0.46 0.89 0.20 -0.01 0.00 0.00 175.02 176.76 1x65 s GLY 11 N -2.95 -0.46 0.00 -0.03 0.00 -1.12 -4.05 107.32 98.72 1x65 s GLY 11 Ca 0.28 0.99 -0.06 0.00 0.00 0.00 0.00 44.72 45.93 1x65 s GLY 11 CO 0.19 0.33 0.25 -1.34 0.00 0.00 0.00 173.10 172.52 1x65 s VAL 12 N -3.12 5.33 -0.12 1.40 -7.23 -0.27 -2.28 120.40 114.11 1x65 s VAL 12 Ca 0.05 0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.02 1x65 s VAL 12 Cb -0.01 -3.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.35 1x65 s VAL 12 CO -0.09 0.36 1.17 -0.63 -0.31 0.00 0.00 175.10 175.60 1x65 s ILE 13 N -1.30 4.39 -0.16 -0.62 -1.09 -1.21 0.37 121.20 121.58 1x65 s ILE 13 Ca 0.27 1.69 0.07 0.00 -2.23 0.00 0.00 60.65 60.46 1x65 s ILE 13 Cb -0.13 -4.09 -0.23 0.00 -1.58 0.00 0.00 42.46 36.43 1x65 s ILE 13 CO 0.16 -0.07 0.22 0.00 -1.23 0.00 0.00 174.94 174.03 1x65 n ALA 14 N 5.76 1.34 -2.32 9.38 0.00 0.11 -1.11 120.51 133.67 1x65 n ALA 14 Ca 0.12 -0.96 -0.17 0.00 0.00 0.00 0.00 53.44 52.42 1x65 n ALA 14 Cb 0.46 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 1x65 n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x65 s ALA 15 N -2.54 1.86 -0.33 0.00 0.00 -1.15 -4.92 121.76 114.68 1x65 s ALA 15 Ca -0.18 -1.62 0.14 0.00 0.00 0.00 0.00 51.96 50.31 1x65 s ALA 15 Cb 0.07 -0.05 0.43 0.00 0.00 0.00 0.00 23.12 23.58 1x65 s ALA 15 CO 0.76 0.02 1.41 -1.33 0.00 0.00 0.00 175.76 176.62 1x65 n MET 16 N -0.33 1.40 -0.75 0.00 0.00 -1.26 -2.87 117.12 113.31 1x65 n MET 16 Ca -0.09 -1.82 -0.32 0.00 0.00 0.00 0.00 57.70 55.48 1x65 n MET 16 Cb 0.60 -0.10 0.16 0.00 0.00 0.00 0.00 33.22 33.89 1x65 n MET 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1x65 n ARG 17 N -1.17 -0.35 -1.77 0.03 3.00 -0.49 -4.81 116.66 111.10 1x65 n ARG 17 Ca -0.10 -0.04 -0.30 0.00 -0.01 0.00 0.00 57.85 57.40 1x65 n ARG 17 Cb 0.86 -2.33 -0.04 0.00 0.00 0.00 0.00 32.46 30.95 1x65 n ARG 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1x65 s ASP 18 N -2.49 4.65 0.00 0.55 -1.08 -1.26 -2.54 116.67 114.50 1x65 s ASP 18 Ca 0.67 0.37 0.00 0.00 -0.52 0.00 0.00 52.55 53.07 1x65 s ASP 18 Cb -0.24 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 1x65 s ASP 18 CO 0.58 -2.94 0.00 0.61 0.52 0.00 0.00 175.17 173.94 1x65 n GLY 19 N 6.23 3.75 3.44 2.66 0.00 -1.26 -5.09 105.19 114.92 1x65 n GLY 19 Ca 0.35 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.42 -1.19 1.61 1.16 -1.05 -3.55 117.46 113.01 1x65 n PHE 20 Ca 0.00 -2.45 0.00 0.00 -1.87 0.00 0.00 57.45 53.13 1x65 n PHE 20 Cb 0.00 0.54 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 1x65 n PHE 20 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1x65 n GLY 21 N -0.60 3.81 3.47 4.97 0.00 -1.24 -1.39 105.19 114.21 1x65 n GLY 21 Ca 0.01 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.57 -0.63 -0.23 1.61 0.08 -1.14 -4.06 117.98 113.04 1x65 s PHE 22 Ca 0.00 1.54 0.02 0.00 0.12 0.00 0.00 56.93 58.61 1x65 s PHE 22 Cb 0.00 0.22 0.04 0.00 -0.57 0.00 0.00 43.02 42.72 1x65 s PHE 22 CO 0.00 -0.31 -0.14 0.42 -0.10 0.00 0.00 175.22 175.09 1x65 s ILE 23 N 0.35 2.08 0.13 0.64 1.01 -1.25 0.06 121.20 124.22 1x65 s ILE 23 Ca -0.00 -1.33 -0.29 0.00 0.00 0.00 0.00 60.65 59.03 1x65 s ILE 23 Cb -0.04 -2.08 -0.07 0.00 0.01 0.00 0.00 42.46 40.29 1x65 s ILE 23 CO 0.00 0.19 0.91 -0.75 0.00 0.00 0.00 174.94 175.29 1x65 s LYS 24 N 1.20 4.69 0.01 2.79 2.20 0.16 -1.16 119.74 129.62 1x65 s LYS 24 Ca -0.03 1.37 -0.16 0.00 -0.36 0.00 0.00 55.97 56.79 1x65 s LYS 24 Cb -0.17 -3.34 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1x65 s LYS 24 CO -0.08 0.32 0.44 0.00 -0.36 0.00 0.00 175.35 175.68 1x65 h VAL 26 N 3.71 1.22 0.04 0.00 -1.51 -1.95 -3.26 116.25 114.50 1x65 h VAL 26 Ca -0.51 -0.93 -0.32 0.00 -1.23 0.00 0.00 66.70 63.71 1x65 h VAL 26 Cb 1.22 1.07 -0.04 0.00 -2.13 0.00 0.00 31.29 31.41 1x65 h VAL 26 CO 0.62 0.31 -1.78 -0.67 -1.23 0.00 0.00 177.57 174.82 1x65 n ASP 27 N -4.23 1.97 -4.83 4.19 2.03 -1.26 -4.94 116.55 109.47 1x65 n ASP 27 Ca 0.01 0.30 -0.33 0.00 0.52 0.00 0.00 54.79 55.29 1x65 n ASP 27 Cb 0.29 -0.87 -0.07 0.00 -0.72 0.00 0.00 41.12 39.76 1x65 n ASP 27 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1x65 s ARG 28 N -2.46 4.12 -0.61 -0.67 0.52 -1.23 -4.98 118.95 113.65 1x65 s ARG 28 Ca -0.29 0.90 -0.00 0.00 -0.52 0.00 0.00 55.73 55.82 1x65 s ARG 28 Cb 0.08 -2.30 0.51 0.00 0.52 0.00 0.00 34.95 33.75 1x65 s ARG 28 CO 0.63 0.06 1.99 -0.25 0.02 0.00 0.00 175.30 177.75 1x65 n ASP 29 N -0.50 6.63 -3.90 0.23 9.92 -1.26 -3.86 116.55 123.81 1x65 n ASP 29 Ca 0.05 -3.74 -0.17 0.00 -0.53 0.00 0.00 54.79 50.40 1x65 n ASP 29 Cb 0.54 -0.93 -0.09 0.00 -0.64 0.00 0.00 41.12 39.99 1x65 n ASP 29 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1x65 s VAL 30 N -4.43 0.16 0.36 2.53 -7.23 -1.26 -5.04 120.40 105.50 1x65 s VAL 30 Ca 0.63 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.87 1x65 s VAL 30 Cb 0.50 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 1x65 s VAL 30 CO 0.02 0.00 0.26 0.00 -0.31 0.00 0.00 175.10 175.07 1x65 s ARG 31 N -3.83 2.55 -0.58 4.82 1.70 -1.26 -2.84 118.95 119.51 1x65 s ARG 31 Ca 0.38 -1.46 0.04 0.00 -0.47 0.00 0.00 55.73 54.22 1x65 s ARG 31 Cb 0.05 -2.33 0.15 0.00 -0.57 0.00 0.00 34.95 32.24 1x65 s ARG 31 CO 0.18 0.02 0.36 1.41 -1.08 0.00 0.00 175.30 176.19 1x65 s MET 32 N -3.98 2.06 -0.79 3.89 1.75 -0.31 -4.84 119.30 117.08 1x65 s MET 32 Ca 0.42 -2.83 -0.30 0.00 -1.25 0.00 0.00 55.69 51.72 1x65 s MET 32 Cb -0.04 -3.18 -0.17 0.00 2.84 0.00 0.00 34.83 34.29 1x65 s MET 32 CO 0.25 -1.20 2.57 0.34 -0.65 0.00 0.00 175.02 176.34 1x65 n PHE 33 N 2.68 0.91 -3.62 4.11 7.35 -1.26 -3.78 117.46 123.84 1x65 n PHE 33 Ca 0.12 0.30 -0.20 0.00 -0.76 0.00 0.00 57.45 56.92 1x65 n PHE 33 Cb 0.34 -2.47 -0.01 0.00 0.35 0.00 0.00 39.48 37.69 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 9.93 3.13 0.19 -5.13 -0.71 -1.26 -4.65 117.98 119.48 1x65 s PHE 34 Ca 1.22 -0.20 0.08 0.00 -1.04 0.00 0.00 56.93 56.99 1x65 s PHE 34 Cb -0.89 -1.88 -0.04 0.00 -1.21 0.00 0.00 43.02 39.00 1x65 s PHE 34 CO 0.42 0.10 -0.01 -1.01 -1.34 0.00 0.00 175.22 173.38 1x65 s HIS 35 N -2.17 2.80 -0.08 3.49 3.76 -1.26 -3.73 115.29 118.10 1x65 s HIS 35 Ca 0.42 -0.16 -0.00 0.00 -0.15 0.00 0.00 55.06 55.18 1x65 s HIS 35 Cb -0.09 -1.35 0.05 0.00 1.11 0.00 0.00 32.58 32.31 1x65 s HIS 35 CO 0.30 0.53 1.98 1.19 -0.85 0.00 0.00 174.74 177.89 1x65 n PHE 36 N -0.19 0.39 0.00 1.40 3.01 -1.23 -3.36 117.46 117.48 1x65 n PHE 36 Ca -0.09 -1.23 0.00 0.00 1.01 0.00 0.00 57.45 57.14 1x65 n PHE 36 Cb 0.56 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 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 1.19 3.42 0.05 4.37 7.64 -1.26 -4.70 113.62 124.32 1x65 n SER 37 Ca 0.08 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.09 1x65 n SER 37 Cb 0.52 0.34 0.52 0.00 -1.01 0.00 0.00 64.21 64.58 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 -1.55 0.12 0.00 1.43 -0.58 -1.21 -3.26 120.64 115.59 1x65 n GLU 38 Ca 0.00 0.10 0.08 0.00 -0.42 0.00 0.00 57.16 56.92 1x65 n GLU 38 Cb 0.34 -1.64 0.49 0.00 -0.57 0.00 0.00 31.44 30.07 1x65 n GLU 38 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1x65 n ILE 39 N -1.84 0.00 0.26 -3.67 5.41 -1.26 -0.49 119.36 117.77 1x65 n ILE 39 Ca 0.06 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.98 1x65 n ILE 39 Cb 0.38 -0.71 0.78 0.00 -0.71 0.00 0.00 39.64 39.37 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 -1.92 1.39 8.10 -1.80 -0.55 115.31 120.53 1x65 h LEU 40 Ca 0.00 0.00 0.22 0.00 0.11 0.00 0.00 57.88 58.21 1x65 h LEU 40 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1x65 h LEU 40 CO 0.00 0.00 0.64 -0.78 -4.11 0.00 0.00 178.44 174.19 1x65 h ASP 41 N 0.00 0.00 0.00 0.17 1.82 -1.67 -3.46 116.42 113.29 1x65 h ASP 41 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1x65 h ASP 41 Cb 0.83 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.84 1x65 h ASP 41 CO -0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1x65 n GLY 42 N -1.64 0.20 0.00 -0.78 0.00 -0.21 -4.98 105.19 97.77 1x65 n GLY 42 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.57 1.61 3.02 -1.26 -4.67 115.26 109.40 1x65 n ASN 43 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 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 -1.10 -2.62 0.00 0.00 177.26 173.54 1x65 s GLN 44 N 0.00 3.34 0.68 3.52 -0.21 -1.26 -4.86 119.66 120.87 1x65 s GLN 44 Ca 0.00 -1.24 -0.16 0.00 0.02 0.00 0.00 55.36 53.97 1x65 s GLN 44 Cb 0.00 -5.34 -0.14 0.00 1.00 0.00 0.00 33.01 28.53 1x65 s GLN 44 CO 0.00 -2.73 -0.40 1.28 -2.12 0.00 0.00 175.29 171.32 1x65 n LEU 45 N 10.58 -4.41 -3.77 2.90 4.77 -1.26 -5.00 117.00 120.81 1x65 n LEU 45 Ca 0.41 0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 56.68 1x65 n LEU 45 Cb 0.48 -0.76 -0.11 0.00 -2.33 0.00 0.00 43.42 40.70 1x65 n LEU 45 CO 0.68 -4.99 -0.04 -1.00 -1.33 0.00 0.00 177.39 170.71 1x65 s HIS 46 N -1.87 -0.33 -0.40 -1.77 3.76 -1.26 -5.09 115.29 108.33 1x65 s HIS 46 Ca 0.46 0.81 -0.35 0.00 -0.15 0.00 0.00 55.06 55.83 1x65 s HIS 46 Cb -0.33 0.11 -0.15 0.00 1.11 0.00 0.00 32.58 33.32 1x65 s HIS 46 CO 0.69 -0.17 1.69 -0.89 -0.85 0.00 0.00 174.74 175.21 1x65 n ILE 47 N 3.07 0.00 -1.82 0.60 2.08 -1.26 -2.17 119.36 119.87 1x65 n ILE 47 Ca -0.14 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.17 1x65 n ILE 47 Cb 0.57 -0.40 0.00 0.00 -0.75 0.00 0.00 39.64 39.07 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 5.91 -1.89 -3.47 -1.39 0.00 -0.27 -4.97 120.51 114.43 1x65 n ALA 48 Ca 0.43 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 1x65 n ALA 48 Cb -0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.08 0.03 0.19 0.00 1.01 -0.92 -4.83 116.67 110.06 1x65 s ASP 49 Ca 0.01 0.05 -0.31 0.00 0.71 0.00 0.00 52.55 53.01 1x65 s ASP 49 Cb -0.00 -0.02 -0.09 0.00 1.01 0.00 0.00 42.92 43.81 1x65 s ASP 49 CO 0.16 -0.09 1.42 -1.61 0.21 0.00 0.00 175.17 175.26 1x65 s GLU 50 N 0.73 4.30 0.04 8.23 2.02 -1.26 -3.29 118.70 129.46 1x65 s GLU 50 Ca -0.06 2.20 -0.02 0.00 0.02 0.00 0.00 54.97 57.11 1x65 s GLU 50 Cb -0.09 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 1x65 s GLU 50 CO -0.02 -0.42 0.02 0.14 0.02 0.00 0.00 175.26 175.00 1x65 s VAL 51 N 0.50 0.15 -0.13 2.63 -7.23 -0.96 -1.22 120.40 114.14 1x65 s VAL 51 Ca 0.62 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.54 1x65 s VAL 51 Cb -0.40 -0.89 -0.00 0.00 0.56 0.00 0.00 36.38 35.65 1x65 s VAL 51 CO 0.37 -0.70 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.57 1x65 s GLU 52 N -2.66 3.18 0.05 4.82 2.12 -1.02 -2.80 118.70 122.39 1x65 s GLU 52 Ca -0.05 -0.79 -0.06 0.00 0.36 0.00 0.00 54.97 54.43 1x65 s GLU 52 Cb -0.01 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 1x65 s GLU 52 CO -0.05 0.13 0.12 -0.59 -0.54 0.00 0.00 175.26 174.33 1x65 s PHE 53 N 0.51 0.19 -0.25 5.30 -0.71 -1.17 -3.21 117.98 118.64 1x65 s PHE 53 Ca -0.12 -0.53 -0.14 0.00 -1.04 0.00 0.00 56.93 55.11 1x65 s PHE 53 Cb -0.16 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 1x65 s PHE 53 CO 0.05 -0.41 0.30 0.99 -1.34 0.00 0.00 175.22 174.80 1x65 s THR 54 N -2.97 5.24 -0.19 -4.49 2.01 -1.25 -2.72 115.64 111.27 1x65 s THR 54 Ca -0.02 0.45 -0.08 0.00 0.31 0.00 0.00 61.69 62.36 1x65 s THR 54 Cb 0.01 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1x65 s THR 54 CO -0.06 0.24 0.07 -0.69 -0.69 0.00 0.00 174.62 173.49 1x65 s VAL 55 N 1.60 4.76 0.04 3.82 1.01 -1.19 -3.56 120.40 126.88 1x65 s VAL 55 Ca 0.13 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1x65 s VAL 55 Cb -0.15 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1x65 s VAL 55 CO 0.08 0.44 -0.07 0.68 0.00 0.00 0.00 175.10 176.22 1x65 s VAL 56 N 0.58 0.52 -2.00 2.92 -7.23 -1.26 -3.68 120.40 110.25 1x65 s VAL 56 Ca 0.04 -1.10 0.11 0.00 -1.81 0.00 0.00 61.98 59.21 1x65 s VAL 56 Cb -0.13 -0.63 0.32 0.00 0.56 0.00 0.00 36.38 36.50 1x65 s VAL 56 CO 0.01 -0.41 1.10 -0.81 -0.31 0.00 0.00 175.10 174.69 1x65 n PRO 57 N 1.41 0.49 -1.39 4.82 -0.04 -1.26 -4.37 135.00 134.65 1x65 n PRO 57 Ca -0.22 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.27 1x65 n PRO 57 Cb 0.55 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 1x65 n PRO 57 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x65 n ASP 58 N -0.86 -7.51 0.32 3.54 8.00 -1.26 -4.41 116.55 114.37 1x65 n ASP 58 Ca 0.08 1.62 -0.16 0.00 0.71 0.00 0.00 54.79 57.04 1x65 n ASP 58 Cb 0.04 -4.49 -0.08 0.00 -0.02 0.00 0.00 41.12 36.57 1x65 n ASP 58 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1x65 h MET 59 N -0.17 -0.77 0.00 -1.24 2.86 -1.96 -3.40 114.93 110.25 1x65 h MET 59 Ca -0.04 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1x65 h MET 59 Cb 0.96 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1x65 h MET 59 CO 0.02 -0.47 -0.10 1.28 1.06 0.00 0.00 176.91 178.69 1x65 n LEU 60 N -5.39 0.31 -3.43 1.22 4.77 -1.26 -4.88 117.00 108.33 1x65 n LEU 60 Ca -0.12 0.27 -0.44 0.00 -0.03 0.00 0.00 56.01 55.69 1x65 n LEU 60 Cb 0.34 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.77 1x65 n LEU 60 CO 0.35 -0.49 1.49 -1.20 -1.33 0.00 0.00 177.39 176.21 1x65 n SER 61 N -2.68 0.50 0.03 -1.43 7.64 -1.26 -4.80 113.62 111.60 1x65 n SER 61 Ca -0.01 0.43 -0.12 0.00 1.01 0.00 0.00 58.87 60.17 1x65 n SER 61 Cb 0.05 -0.72 -0.09 0.00 -1.01 0.00 0.00 64.21 62.44 1x65 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x65 h ALA 62 N 7.82 -0.13 -2.08 -0.43 0.00 -1.88 -3.38 119.26 119.19 1x65 h ALA 62 Ca -0.07 -0.25 -0.66 0.00 0.00 0.00 0.00 54.91 53.93 1x65 h ALA 62 Cb 1.11 0.05 -0.38 0.00 0.00 0.00 0.00 17.79 18.57 1x65 h ALA 62 CO 0.93 -0.29 -0.16 0.94 0.00 0.00 0.00 179.25 180.68 1x65 n GLN 63 N -4.89 3.26 -3.63 0.00 7.27 -1.26 -4.95 117.38 113.19 1x65 n GLN 63 Ca -0.08 -4.67 -0.13 0.00 0.07 0.00 0.00 57.00 52.19 1x65 n GLN 63 Cb 0.27 -2.33 -0.07 0.00 2.41 0.00 0.00 30.24 30.52 1x65 n GLN 63 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1x65 s ARG 64 N -2.78 0.74 0.10 3.69 3.52 -1.26 -5.18 118.95 117.79 1x65 s ARG 64 Ca 0.39 0.83 0.00 0.00 -0.13 0.00 0.00 55.73 56.82 1x65 s ARG 64 Cb 0.14 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.85 1x65 s ARG 64 CO 0.00 -0.10 -0.02 -0.80 -0.81 0.00 0.00 175.30 173.57 1x65 s ASN 65 N 0.23 0.76 -0.05 -2.12 0.01 -1.26 -4.21 114.94 108.30 1x65 s ASN 65 Ca 0.00 -1.07 -0.13 0.00 -0.71 0.00 0.00 52.86 50.95 1x65 s ASN 65 Cb -0.05 0.18 0.03 0.00 0.41 0.00 0.00 41.25 41.81 1x65 s ASN 65 CO -0.01 -0.58 0.31 -1.38 -1.51 0.00 0.00 177.10 173.93 1x65 s HIS 66 N -3.82 -0.24 -0.18 2.20 -3.43 -1.26 -4.85 115.29 103.71 1x65 s HIS 66 Ca 0.15 0.47 -0.19 0.00 -0.80 0.00 0.00 55.06 54.68 1x65 s HIS 66 Cb 0.07 0.10 -0.03 0.00 -1.43 0.00 0.00 32.58 31.29 1x65 s HIS 66 CO -0.04 -0.31 0.56 0.00 -2.00 0.00 0.00 174.74 172.95 1x65 s ALA 67 N -0.78 3.53 0.24 -1.38 0.00 -1.26 -4.40 121.76 117.70 1x65 s ALA 67 Ca -0.09 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 51.63 1x65 s ALA 67 Cb -0.04 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1x65 s ALA 67 CO 0.03 -0.41 0.17 0.96 0.00 0.00 0.00 175.76 176.51 1x65 s ILE 68 N 1.57 4.40 -0.36 0.00 -4.36 -1.23 -4.77 121.20 116.44 1x65 s ILE 68 Ca 0.26 -1.37 -0.32 0.00 -0.26 0.00 0.00 60.65 58.97 1x65 s ILE 68 Cb -0.16 -3.35 0.05 0.00 1.25 0.00 0.00 42.46 40.25 1x65 s ILE 68 CO 0.10 -0.30 0.54 0.54 0.24 0.00 0.00 174.94 176.05 1x65 n ARG 69 N -1.00 -1.54 -2.81 0.37 5.12 -1.25 -3.75 116.66 111.79 1x65 n ARG 69 Ca -0.08 1.13 -0.42 0.00 -1.93 0.00 0.00 57.85 56.56 1x65 n ARG 69 Cb 0.57 -1.59 -0.03 0.00 -1.16 0.00 0.00 32.46 30.25 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 -1.17 4.82 -0.12 0.55 1.01 0.35 -4.65 121.20 122.00 1x65 s ILE 70 Ca 0.31 1.77 -0.03 0.00 0.00 0.00 0.00 60.65 62.71 1x65 s ILE 70 Cb -0.03 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.28 1x65 s ILE 70 CO 0.70 -0.02 0.04 -0.75 0.00 0.00 0.00 174.94 174.91 1x65 s LYS 71 N 2.37 0.41 0.30 2.79 2.20 -1.20 -3.88 119.74 122.73 1x65 s LYS 71 Ca 0.41 -0.04 -0.29 0.00 -0.36 0.00 0.00 55.97 55.68 1x65 s LYS 71 Cb -0.16 -1.39 -0.12 0.00 -1.51 0.00 0.00 37.83 34.64 1x65 s LYS 71 CO 0.12 -0.47 1.41 1.17 -0.36 0.00 0.00 175.35 177.22 1x65 n LYS 72 N 5.17 2.27 -3.38 4.03 4.81 -1.26 -2.44 118.16 127.36 1x65 n LYS 72 Ca -0.07 0.80 -0.31 0.00 -0.87 0.00 0.00 58.31 57.86 1x65 n LYS 72 Cb 0.49 -2.47 -0.05 0.00 0.02 0.00 0.00 35.03 33.02 1x65 n LYS 72 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x65 s LEU 73 N -0.63 4.13 0.56 3.14 1.43 -0.36 -4.90 118.68 122.05 1x65 s LEU 73 Ca 0.61 0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 54.41 1x65 s LEU 73 Cb -0.57 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 41.93 1x65 s LEU 73 CO 0.55 -0.11 1.13 -2.16 0.23 0.00 0.00 176.35 175.99 1x65 s PRO 74 N -2.99 3.29 0.36 1.29 0.04 -1.26 -4.75 135.00 130.97 1x65 s PRO 74 Ca 0.47 1.59 -0.28 0.00 0.04 0.00 0.00 61.00 62.81 1x65 s PRO 74 Cb -0.11 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 1x65 s PRO 74 CO 0.23 -0.90 1.44 1.17 0.04 0.00 0.00 177.00 178.98 1x65 n LYS 75 N -1.44 2.50 -1.25 4.56 3.00 -1.26 -4.04 118.16 120.23 1x65 n LYS 75 Ca 0.11 0.88 0.00 0.00 -0.00 0.00 0.00 58.31 59.30 1x65 n LYS 75 Cb 0.51 -2.57 0.00 0.00 0.00 0.00 0.00 35.03 32.97 1x65 n LYS 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x65 n GLY 76 N 0.71 0.49 0.00 3.14 0.00 -1.26 -5.01 105.19 103.26 1x65 n GLY 76 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.08 0.00 -4.31 2.61 -1.04 -1.26 -5.13 114.28 104.07 1x65 n THR 77 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1x65 n THR 77 Cb 0.42 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.83 1x65 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1x65 s VAL 78 N -1.00 2.99 0.33 12.58 1.01 -1.26 -5.14 120.40 129.92 1x65 s VAL 78 Ca 0.00 -1.63 -0.18 0.00 0.00 0.00 0.00 61.98 60.17 1x65 s VAL 78 Cb 0.00 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 33.98 1x65 s VAL 78 CO 0.00 -0.03 0.75 -0.44 0.00 0.00 0.00 175.10 175.38 1x65 s SER 79 N -2.55 -0.13 -0.03 3.32 0.01 -1.26 -5.14 113.70 107.91 1x65 s SER 79 Ca 0.22 -0.87 0.05 0.00 1.31 0.00 0.00 55.95 56.66 1x65 s SER 79 Cb -0.09 0.79 -0.03 0.00 0.21 0.00 0.00 66.02 66.90 1x65 s SER 79 CO 0.13 -1.51 -0.18 -0.36 0.41 0.00 0.00 173.24 171.73 1x65 s PHE 80 N -3.15 2.59 -0.22 2.43 0.40 -1.26 -5.00 117.98 113.77 1x65 s PHE 80 Ca 0.13 -0.24 -0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1x65 s PHE 80 Cb -0.06 -1.58 -0.12 0.00 0.51 0.00 0.00 43.02 41.78 1x65 s PHE 80 CO 0.09 0.14 -0.25 1.58 0.70 0.00 0.00 175.22 177.48 1x65 n HIS 81 N 2.25 0.00 -1.73 0.36 -0.00 -1.26 -4.95 115.22 109.89 1x65 n HIS 81 Ca -0.17 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.59 1x65 n HIS 81 Cb 0.52 -0.82 -0.03 0.00 -0.12 0.00 0.00 29.99 29.54 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 -6.60 6.48 0.82 0.26 0.15 -1.26 -4.97 113.70 108.58 1x65 s SER 82 Ca -0.31 2.61 -0.12 0.00 0.70 0.00 0.00 55.95 58.84 1x65 s SER 82 Cb 0.10 -2.53 0.08 0.00 -1.71 0.00 0.00 66.02 61.96 1x65 s SER 82 CO 0.45 -1.03 1.10 -1.00 1.20 0.00 0.00 173.24 173.96 1x65 s HIS 83 N 4.25 2.75 0.37 3.44 0.09 -1.26 -5.08 115.29 119.85 1x65 s HIS 83 Ca 0.85 1.12 -0.17 0.00 -0.00 0.00 0.00 55.06 56.87 1x65 s HIS 83 Cb -0.41 -3.16 0.05 0.00 -0.00 0.00 0.00 32.58 29.06 1x65 s HIS 83 CO 0.39 -1.89 0.78 -1.54 -0.00 0.00 0.00 174.74 172.48 1x65 s SER 84 N -3.88 -0.03 0.42 1.40 1.04 -1.26 -5.16 113.70 106.23 1x65 s SER 84 Ca 0.61 -1.07 -0.24 0.00 0.48 0.00 0.00 55.95 55.74 1x65 s SER 84 Cb -0.15 0.83 -0.08 0.00 0.10 0.00 0.00 66.02 66.72 1x65 s SER 84 CO 0.54 -1.64 1.10 -0.83 0.98 0.00 0.00 173.24 173.39 1x65 s GLY 85 N -3.05 2.75 -0.15 7.32 0.00 -1.26 -4.97 107.32 107.96 1x65 s GLY 85 Ca 0.15 0.80 -0.29 0.00 0.00 0.00 0.00 44.72 45.37 1x65 s GLY 85 CO 0.11 1.24 1.56 2.56 0.00 0.00 0.00 173.10 178.56 1x65 s PRO 86 N -2.59 4.03 0.03 2.90 0.04 -1.26 -4.84 135.00 133.31 1x65 s PRO 86 Ca 0.60 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1x65 s PRO 86 Cb -0.25 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1x65 s PRO 86 CO 0.31 -1.00 0.00 0.45 0.04 0.00 0.00 177.00 176.79 1x65 n SER 87 N 7.57 0.11 0.00 6.66 2.88 -1.26 -5.17 113.62 124.41 1x65 n SER 87 Ca 0.17 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1x65 n SER 87 Cb 0.44 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1x65 n SER 87 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x65 n SER 88 N -2.67 0.00 0.00 -3.46 3.41 -1.26 -5.34 113.62 104.30 1x65 n SER 88 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1x65 n SER 88 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49