#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x65 s SER 2 N 0.00 4.75 0.31 1.61 0.01 -1.26 -5.15 113.70 113.98 1x65 s SER 2 Ca 0.00 -0.83 -0.07 0.00 1.31 0.00 0.00 55.95 56.36 1x65 s SER 2 Cb 0.00 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.60 1x65 s SER 2 CO 0.00 -0.47 0.50 -0.55 0.41 0.00 0.00 173.24 173.13 1x65 s SER 3 N -3.95 0.47 -1.38 2.44 0.15 -1.26 -5.05 113.70 105.12 1x65 s SER 3 Ca 0.42 -1.27 -0.09 0.00 0.70 0.00 0.00 55.95 55.71 1x65 s SER 3 Cb -0.01 0.65 -0.07 0.00 -1.71 0.00 0.00 66.02 64.87 1x65 s SER 3 CO 0.24 -1.28 2.66 0.61 1.20 0.00 0.00 173.24 176.68 1x65 n GLY 4 N -0.49 3.87 2.85 9.45 0.00 -1.26 -4.79 105.19 114.82 1x65 n GLY 4 Ca -0.01 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 1x65 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x65 s SER 5 N 2.63 3.49 0.10 1.61 0.15 -1.26 -4.94 113.70 115.48 1x65 s SER 5 Ca 0.59 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1x65 s SER 5 Cb 0.15 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1x65 s SER 5 CO -0.05 -0.28 0.00 -1.20 1.20 0.00 0.00 173.24 172.91 1x65 n SER 6 N 4.83 0.44 -4.16 5.45 7.64 -1.26 -5.05 113.62 121.50 1x65 n SER 6 Ca -0.10 0.16 -0.34 0.00 1.01 0.00 0.00 58.87 59.61 1x65 n SER 6 Cb 0.45 -0.06 -0.15 0.00 -1.01 0.00 0.00 64.21 63.45 1x65 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x65 s GLY 7 N -3.95 1.58 -0.27 0.23 0.00 -1.26 -5.09 107.32 98.56 1x65 s GLY 7 Ca 0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 44.72 43.11 1x65 s GLY 7 CO 0.00 0.49 0.35 0.50 0.00 0.00 0.00 173.10 174.43 1x65 s ARG 8 N 1.28 4.01 0.22 2.90 3.00 -1.26 -3.41 118.95 125.69 1x65 s ARG 8 Ca -0.00 -0.01 0.07 0.00 0.00 0.00 0.00 55.73 55.79 1x65 s ARG 8 Cb -0.16 -3.65 -0.04 0.00 0.00 0.00 0.00 34.95 31.09 1x65 s ARG 8 CO -0.06 -0.26 0.10 -1.21 0.00 0.00 0.00 175.30 173.87 1x65 s GLU 9 N 2.00 2.66 -0.01 3.54 2.02 -0.51 -4.91 118.70 123.49 1x65 s GLU 9 Ca 0.14 -1.11 -0.14 0.00 0.02 0.00 0.00 54.97 53.88 1x65 s GLU 9 Cb -0.16 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.65 1x65 s GLU 9 CO 0.10 0.42 0.29 0.00 0.02 0.00 0.00 175.26 176.10 1x65 s MET 10 N -3.46 0.66 0.00 1.61 0.23 -1.26 -1.18 119.30 115.90 1x65 s MET 10 Ca 0.31 -0.22 0.00 0.00 -1.03 0.00 0.00 55.69 54.75 1x65 s MET 10 Cb -0.08 0.29 0.00 0.00 -1.53 0.00 0.00 34.83 33.51 1x65 s MET 10 CO 0.22 -0.18 0.00 0.41 -2.03 0.00 0.00 175.02 173.44 1x65 n GLY 11 N 1.26 4.72 3.03 3.16 0.00 -1.09 -4.33 105.19 111.95 1x65 n GLY 11 Ca -0.22 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 1x65 n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x65 s VAL 12 N 0.71 0.89 -0.18 1.61 -7.23 -0.69 -3.01 120.40 112.49 1x65 s VAL 12 Ca 0.00 -0.42 -0.29 0.00 -1.81 0.00 0.00 61.98 59.46 1x65 s VAL 12 Cb 0.00 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 1x65 s VAL 12 CO 0.00 0.27 1.80 -0.63 -0.31 0.00 0.00 175.10 176.23 1x65 s ILE 13 N 0.14 3.44 -0.11 -0.62 -1.09 -0.96 -0.77 121.20 121.23 1x65 s ILE 13 Ca -0.03 0.49 0.16 0.00 -2.23 0.00 0.00 60.65 59.05 1x65 s ILE 13 Cb -0.09 -3.46 -0.20 0.00 -1.58 0.00 0.00 42.46 37.14 1x65 s ILE 13 CO 0.01 -0.20 0.62 0.00 -1.23 0.00 0.00 174.94 174.13 1x65 n ALA 14 N 9.02 1.77 -2.20 9.38 0.00 0.03 -0.34 120.51 138.16 1x65 n ALA 14 Ca 0.21 -0.75 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 1x65 n ALA 14 Cb 0.45 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.78 1.12 -0.14 0.00 0.00 -1.18 -4.88 121.76 113.89 1x65 s ALA 15 Ca -0.05 -1.54 0.12 0.00 0.00 0.00 0.00 51.96 50.49 1x65 s ALA 15 Cb 0.08 0.73 0.27 0.00 0.00 0.00 0.00 23.12 24.21 1x65 s ALA 15 CO 0.82 -0.41 1.21 -1.33 0.00 0.00 0.00 175.76 176.06 1x65 n MET 16 N -0.18 0.67 -1.05 0.00 0.00 -1.26 -3.44 117.12 111.86 1x65 n MET 16 Ca -0.06 -1.60 -0.35 0.00 0.00 0.00 0.00 57.70 55.69 1x65 n MET 16 Cb 0.64 0.09 0.08 0.00 0.00 0.00 0.00 33.22 34.02 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 -0.47 0.02 -1.55 0.03 3.00 0.58 -4.68 116.66 113.58 1x65 n ARG 17 Ca -0.14 0.04 -0.24 0.00 -0.01 0.00 0.00 57.85 57.50 1x65 n ARG 17 Cb 0.85 -1.62 -0.05 0.00 0.00 0.00 0.00 32.46 31.64 1x65 n ARG 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1x65 n ASP 18 N 0.30 2.04 0.00 0.55 8.00 -1.26 -1.95 116.55 124.23 1x65 n ASP 18 Ca 0.06 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1x65 n ASP 18 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 1x65 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x65 n GLY 19 N 6.43 3.64 2.08 0.44 0.00 -1.26 -5.07 105.19 111.45 1x65 n GLY 19 Ca 0.42 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.46 0.00 1.61 1.16 -0.82 -2.49 117.46 115.46 1x65 n PHE 20 Ca 0.00 -1.21 0.00 0.00 -1.87 0.00 0.00 57.45 54.37 1x65 n PHE 20 Cb 0.00 0.44 0.00 0.00 -1.61 0.00 0.00 39.48 38.31 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 -0.32 2.88 3.33 4.97 0.00 -1.26 -0.31 105.19 114.49 1x65 n GLY 21 Ca -0.03 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.85 -0.27 -0.22 1.61 0.08 -1.22 -4.48 117.98 114.32 1x65 s PHE 22 Ca 0.00 0.13 -0.03 0.00 0.12 0.00 0.00 56.93 57.15 1x65 s PHE 22 Cb 0.00 0.26 0.07 0.00 -0.57 0.00 0.00 43.02 42.79 1x65 s PHE 22 CO 0.00 -0.64 0.07 0.42 -0.10 0.00 0.00 175.22 174.97 1x65 s ILE 23 N -3.06 0.37 -0.42 0.64 1.01 -1.16 -0.79 121.20 117.79 1x65 s ILE 23 Ca -0.02 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 1x65 s ILE 23 Cb 0.00 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.45 1x65 s ILE 23 CO -0.07 -0.39 1.10 -0.75 0.00 0.00 0.00 174.94 174.83 1x65 s LYS 24 N 1.91 3.83 0.58 2.79 2.36 0.05 -1.65 119.74 129.61 1x65 s LYS 24 Ca 0.03 0.70 -0.15 0.00 -2.55 0.00 0.00 55.97 54.00 1x65 s LYS 24 Cb -0.17 -3.85 -0.05 0.00 -1.05 0.00 0.00 37.83 32.71 1x65 s LYS 24 CO -0.16 -1.20 1.02 0.00 1.55 0.00 0.00 175.35 176.56 1x65 h VAL 26 N 0.36 1.62 -0.06 0.00 2.07 -1.90 -3.36 116.25 114.98 1x65 h VAL 26 Ca -0.46 -2.03 -0.24 0.00 0.82 0.00 0.00 66.70 64.79 1x65 h VAL 26 Cb 1.20 2.97 0.01 0.00 -1.52 0.00 0.00 31.29 33.96 1x65 h VAL 26 CO 0.60 0.52 -0.92 -0.78 0.02 0.00 0.00 177.57 177.00 1x65 h ASP 27 N -0.90 0.85 -2.96 0.57 3.58 -1.92 -3.45 116.42 112.19 1x65 h ASP 27 Ca -0.00 -0.62 -0.61 0.00 0.42 0.00 0.00 57.03 56.21 1x65 h ASP 27 Cb 0.85 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 1x65 h ASP 27 CO 0.00 1.42 -0.38 -0.13 -2.88 0.00 0.00 179.24 177.27 1x65 s ARG 28 N -3.48 3.58 -0.56 0.28 0.52 -1.26 -5.01 118.95 113.01 1x65 s ARG 28 Ca -0.09 -0.11 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 1x65 s ARG 28 Cb 0.08 -3.03 0.45 0.00 0.52 0.00 0.00 34.95 32.97 1x65 s ARG 28 CO 0.90 0.60 1.77 -0.25 0.02 0.00 0.00 175.30 178.35 1x65 n ASP 29 N 0.81 6.82 -3.91 0.23 8.00 -1.26 -3.71 116.55 123.53 1x65 n ASP 29 Ca -0.09 -3.78 -0.19 0.00 0.71 0.00 0.00 54.79 51.45 1x65 n ASP 29 Cb 0.52 -0.78 -0.16 0.00 -0.02 0.00 0.00 41.12 40.68 1x65 n ASP 29 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1x65 s VAL 30 N -4.80 0.49 0.24 2.53 -7.23 -1.26 -5.04 120.40 105.33 1x65 s VAL 30 Ca 0.60 -0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 60.33 1x65 s VAL 30 Cb 0.47 -0.49 -0.09 0.00 0.56 0.00 0.00 36.38 36.83 1x65 s VAL 30 CO -0.02 0.19 1.36 -0.13 -0.31 0.00 0.00 175.10 176.19 1x65 s ARG 31 N 0.65 4.34 -0.40 4.82 0.52 -1.26 -4.23 118.95 123.39 1x65 s ARG 31 Ca -0.08 2.17 -0.15 0.00 -0.52 0.00 0.00 55.73 57.14 1x65 s ARG 31 Cb -0.12 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.22 1x65 s ARG 31 CO -0.00 -0.30 0.33 1.41 0.02 0.00 0.00 175.30 176.75 1x65 s MET 32 N -0.44 3.11 -0.03 3.54 -2.45 -0.66 -4.80 119.30 117.57 1x65 s MET 32 Ca 0.57 -0.87 -0.30 0.00 -1.25 0.00 0.00 55.69 53.83 1x65 s MET 32 Cb -0.39 -3.94 -0.05 0.00 1.25 0.00 0.00 34.83 31.69 1x65 s MET 32 CO 0.42 -0.72 1.46 -0.06 1.05 0.00 0.00 175.02 177.18 1x65 s PHE 33 N 1.81 2.61 0.19 4.11 0.08 -1.26 -2.98 117.98 122.54 1x65 s PHE 33 Ca 0.07 0.65 0.06 0.00 0.12 0.00 0.00 56.93 57.84 1x65 s PHE 33 Cb -0.18 -3.73 -0.05 0.00 -0.57 0.00 0.00 43.02 38.49 1x65 s PHE 33 CO 0.11 -2.81 -0.11 -0.59 -0.10 0.00 0.00 175.22 171.72 1x65 s PHE 34 N 2.92 1.55 0.18 0.36 -0.71 -1.26 -4.48 117.98 116.53 1x65 s PHE 34 Ca 0.66 -0.67 0.06 0.00 -1.04 0.00 0.00 56.93 55.94 1x65 s PHE 34 Cb -0.31 -0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 40.70 1x65 s PHE 34 CO 0.26 0.23 0.08 -1.01 -1.34 0.00 0.00 175.22 173.44 1x65 s HIS 35 N -3.14 3.01 -0.10 3.49 3.76 -1.26 -4.04 115.29 117.02 1x65 s HIS 35 Ca 0.21 -0.08 -0.00 0.00 -0.15 0.00 0.00 55.06 55.04 1x65 s HIS 35 Cb 0.01 -1.44 0.09 0.00 1.11 0.00 0.00 32.58 32.35 1x65 s HIS 35 CO 0.05 0.52 1.73 1.19 -0.85 0.00 0.00 174.74 177.38 1x65 n PHE 36 N -0.31 0.53 0.00 1.40 3.01 -1.04 -3.42 117.46 117.64 1x65 n PHE 36 Ca -0.09 -1.14 0.00 0.00 1.01 0.00 0.00 57.45 57.23 1x65 n PHE 36 Cb 0.55 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 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 0.81 4.90 0.09 4.37 7.64 -1.26 -4.63 113.62 125.53 1x65 n SER 37 Ca 0.10 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.11 1x65 n SER 37 Cb 0.58 0.58 0.43 0.00 -1.01 0.00 0.00 64.21 64.79 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 -1.88 0.22 0.00 1.43 -0.58 -1.22 -3.26 120.64 115.36 1x65 n GLU 38 Ca 0.00 0.18 0.08 0.00 -0.42 0.00 0.00 57.16 57.00 1x65 n GLU 38 Cb 0.40 -1.76 0.49 0.00 -0.57 0.00 0.00 31.44 30.00 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 -2.15 0.00 0.08 -3.67 5.41 -1.26 0.01 119.36 117.77 1x65 n ILE 39 Ca 0.06 0.00 0.21 0.00 1.00 0.00 0.00 62.75 64.01 1x65 n ILE 39 Cb 0.42 -0.71 0.74 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 -1.96 1.39 8.10 -1.81 -1.71 115.31 119.33 1x65 h LEU 40 Ca 0.00 0.00 0.54 0.00 0.11 0.00 0.00 57.88 58.53 1x65 h LEU 40 Cb 0.00 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.15 1x65 h LEU 40 CO 0.00 0.00 1.37 0.44 -4.11 0.00 0.00 178.44 176.14 1x65 h ASP 41 N 0.00 0.00 0.00 0.17 5.19 -1.73 -3.44 116.42 116.61 1x65 h ASP 41 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1x65 h ASP 41 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1x65 h ASP 41 CO -0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1x65 n GLY 42 N -1.90 -0.01 0.00 2.75 0.00 -0.64 -5.03 105.19 100.35 1x65 n GLY 42 Ca 0.42 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.55 1.61 3.02 -1.26 -4.83 115.26 109.25 1x65 n ASN 43 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1x65 n ASN 43 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 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 2.22 0.84 3.52 0.74 -1.26 -4.81 119.66 120.91 1x65 s GLN 44 Ca 0.00 0.64 -0.13 0.00 0.05 0.00 0.00 55.36 55.92 1x65 s GLN 44 Cb 0.00 -4.67 0.09 0.00 1.10 0.00 0.00 33.01 29.53 1x65 s GLN 44 CO 0.00 -3.41 1.16 1.28 -0.55 0.00 0.00 175.29 173.76 1x65 n LEU 45 N 15.27 3.98 -4.18 3.68 4.77 -1.26 -5.04 117.00 134.22 1x65 n LEU 45 Ca 0.35 0.54 -0.12 0.00 -0.03 0.00 0.00 56.01 56.75 1x65 n LEU 45 Cb 0.50 -1.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.01 1x65 n LEU 45 CO 0.65 -1.88 -0.18 -2.28 -1.33 0.00 0.00 177.39 172.37 1x65 s HIS 46 N -2.24 1.09 -0.09 -1.77 2.46 -1.26 -5.11 115.29 108.37 1x65 s HIS 46 Ca 0.71 -1.31 -0.29 0.00 0.47 0.00 0.00 55.06 54.64 1x65 s HIS 46 Cb -0.28 -0.47 -0.07 0.00 -0.13 0.00 0.00 32.58 31.64 1x65 s HIS 46 CO 0.53 -0.70 1.97 0.42 -2.47 0.00 0.00 174.74 174.49 1x65 s ILE 47 N -4.11 3.16 -0.17 0.89 -1.09 -1.26 -2.97 121.20 115.65 1x65 s ILE 47 Ca 0.37 0.18 -0.01 0.00 -2.23 0.00 0.00 60.65 58.96 1x65 s ILE 47 Cb 0.06 -3.15 -0.01 0.00 -1.58 0.00 0.00 42.46 37.78 1x65 s ILE 47 CO 0.12 -0.05 0.15 0.00 -1.23 0.00 0.00 174.94 173.93 1x65 n ALA 48 N 8.92 -0.78 -2.51 9.38 0.00 0.54 -4.97 120.51 131.09 1x65 n ALA 48 Ca 0.23 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.44 1x65 n ALA 48 Cb 0.43 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 1x65 n ALA 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x65 s ASP 49 N -3.08 2.66 0.03 0.00 -1.08 -1.16 -4.80 116.67 109.25 1x65 s ASP 49 Ca 0.07 -0.71 -0.29 0.00 -0.52 0.00 0.00 52.55 51.10 1x65 s ASP 49 Cb -0.01 -0.15 -0.04 0.00 -1.46 0.00 0.00 42.92 41.26 1x65 s ASP 49 CO 0.12 0.07 0.92 -1.61 0.52 0.00 0.00 175.17 175.19 1x65 s GLU 50 N -2.00 4.59 0.01 4.34 2.02 -1.26 -2.26 118.70 124.13 1x65 s GLU 50 Ca 0.08 1.34 0.01 0.00 0.02 0.00 0.00 54.97 56.42 1x65 s GLU 50 Cb -0.10 -3.42 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 1x65 s GLU 50 CO 0.05 0.08 -0.02 0.14 0.02 0.00 0.00 175.26 175.52 1x65 s VAL 51 N 0.55 0.15 -0.12 2.63 -7.23 -1.16 -0.38 120.40 114.84 1x65 s VAL 51 Ca 0.48 -0.28 0.02 0.00 -1.81 0.00 0.00 61.98 60.39 1x65 s VAL 51 Cb -0.21 -0.17 -0.00 0.00 0.56 0.00 0.00 36.38 36.55 1x65 s VAL 51 CO 0.27 -0.08 -0.20 -0.70 -0.31 0.00 0.00 175.10 174.08 1x65 s GLU 52 N -0.38 3.15 0.05 4.82 2.12 -1.14 -2.66 118.70 124.67 1x65 s GLU 52 Ca -0.03 -0.81 -0.11 0.00 0.36 0.00 0.00 54.97 54.38 1x65 s GLU 52 Cb -0.03 -2.45 0.01 0.00 0.26 0.00 0.00 34.13 31.92 1x65 s GLU 52 CO -0.00 0.13 0.25 -0.59 -0.54 0.00 0.00 175.26 174.51 1x65 s PHE 53 N 0.49 -0.01 -0.22 5.30 -0.12 -0.33 -3.58 117.98 119.51 1x65 s PHE 53 Ca -0.13 -0.18 -0.20 0.00 -0.05 0.00 0.00 56.93 56.36 1x65 s PHE 53 Cb -0.17 0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.23 1x65 s PHE 53 CO 0.05 -0.47 0.62 0.99 -0.05 0.00 0.00 175.22 176.36 1x65 s THR 54 N -2.65 5.01 -0.31 -4.49 2.01 -1.26 -1.43 115.64 112.52 1x65 s THR 54 Ca -0.04 1.14 -0.14 0.00 0.31 0.00 0.00 61.69 62.96 1x65 s THR 54 Cb -0.01 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1x65 s THR 54 CO -0.04 0.08 0.31 -0.69 -0.69 0.00 0.00 174.62 173.59 1x65 s VAL 55 N 2.13 5.21 0.01 3.82 1.01 -1.22 -4.09 120.40 127.27 1x65 s VAL 55 Ca 0.27 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1x65 s VAL 55 Cb -0.16 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1x65 s VAL 55 CO 0.09 0.05 -0.02 0.68 0.00 0.00 0.00 175.10 175.90 1x65 s VAL 56 N 1.94 0.14 0.39 2.92 -7.23 -1.26 -4.77 120.40 112.52 1x65 s VAL 56 Ca 0.11 -0.47 -0.26 0.00 -1.81 0.00 0.00 61.98 59.55 1x65 s VAL 56 Cb -0.16 -0.20 -0.09 0.00 0.56 0.00 0.00 36.38 36.49 1x65 s VAL 56 CO 0.11 -0.22 1.20 -2.16 -0.31 0.00 0.00 175.10 173.72 1x65 s PRO 57 N -0.72 4.11 0.01 4.82 0.04 -1.26 -4.11 135.00 137.89 1x65 s PRO 57 Ca -0.07 1.91 0.08 0.00 0.04 0.00 0.00 61.00 62.96 1x65 s PRO 57 Cb -0.05 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.71 1x65 s PRO 57 CO -0.00 -0.29 -0.24 -0.51 0.04 0.00 0.00 177.00 176.00 1x65 s ASP 58 N -1.00 2.81 -0.28 6.66 1.01 -1.15 -4.98 116.67 119.74 1x65 s ASP 58 Ca 0.55 -0.49 0.12 0.00 0.71 0.00 0.00 52.55 53.45 1x65 s ASP 58 Cb -0.33 -0.28 0.72 0.00 1.01 0.00 0.00 42.92 44.04 1x65 s ASP 58 CO 0.41 0.26 1.71 1.15 0.21 0.00 0.00 175.17 178.91 1x65 n MET 59 N 2.19 3.77 -2.35 8.23 0.00 -1.26 -3.44 117.12 124.26 1x65 n MET 59 Ca -0.16 -3.08 -0.16 0.00 0.00 0.00 0.00 57.70 54.30 1x65 n MET 59 Cb 0.52 -2.15 0.03 0.00 0.00 0.00 0.00 33.22 31.62 1x65 n MET 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1x65 n LEU 60 N -0.09 3.66 -2.06 3.17 4.32 -1.26 -4.77 117.00 119.98 1x65 n LEU 60 Ca 0.34 -4.16 -0.02 0.00 -0.02 0.00 0.00 56.01 52.15 1x65 n LEU 60 Cb 1.24 -0.05 -0.01 0.00 -1.62 0.00 0.00 43.42 42.99 1x65 n LEU 60 CO 0.35 1.74 0.44 -1.54 -1.22 0.00 0.00 177.39 177.15 1x65 n SER 61 N -0.63 -0.54 -3.76 -1.43 3.41 -1.26 -4.97 113.62 104.44 1x65 n SER 61 Ca 0.30 -1.31 -0.29 0.00 -0.26 0.00 0.00 58.87 57.31 1x65 n SER 61 Cb 0.89 0.47 -0.01 0.00 -0.26 0.00 0.00 64.21 65.29 1x65 n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x65 n ALA 62 N -0.29 -1.15 -1.63 7.33 0.00 -1.26 -3.97 120.51 119.53 1x65 n ALA 62 Ca -0.14 0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 1x65 n ALA 62 Cb 0.57 -3.12 -0.01 0.00 0.00 0.00 0.00 19.45 16.90 1x65 n ALA 62 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1x65 n GLN 63 N -4.02 -1.90 -3.64 0.00 7.27 -1.22 -5.11 117.38 108.76 1x65 n GLN 63 Ca 0.03 1.70 -0.10 0.00 0.07 0.00 0.00 57.00 58.71 1x65 n GLN 63 Cb 0.51 -2.22 -0.07 0.00 2.41 0.00 0.00 30.24 30.87 1x65 n GLN 63 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1x65 s ARG 64 N -1.31 0.59 0.12 3.69 1.81 -1.24 -4.97 118.95 117.64 1x65 s ARG 64 Ca -0.03 0.74 -0.05 0.00 -1.72 0.00 0.00 55.73 54.67 1x65 s ARG 64 Cb 0.00 0.27 -0.05 0.00 -0.45 0.00 0.00 34.95 34.72 1x65 s ARG 64 CO 0.09 -0.08 0.36 0.54 -0.68 0.00 0.00 175.30 175.53 1x65 s ASN 65 N 0.43 6.49 0.00 0.23 6.03 -1.26 -2.94 114.94 123.91 1x65 s ASN 65 Ca 0.01 0.58 -0.01 0.00 -1.03 0.00 0.00 52.86 52.40 1x65 s ASN 65 Cb -0.05 -2.09 -0.01 0.00 -3.03 0.00 0.00 41.25 36.08 1x65 s ASN 65 CO -0.06 0.08 0.02 -1.38 -2.03 0.00 0.00 177.10 173.73 1x65 s HIS 66 N -1.61 0.10 -0.27 1.54 -3.43 -1.26 -4.87 115.29 105.49 1x65 s HIS 66 Ca 0.39 -0.20 -0.20 0.00 -0.80 0.00 0.00 55.06 54.25 1x65 s HIS 66 Cb -0.12 -0.08 -0.02 0.00 -1.43 0.00 0.00 32.58 30.93 1x65 s HIS 66 CO 0.24 -0.12 0.64 0.00 -2.00 0.00 0.00 174.74 173.50 1x65 s ALA 67 N -0.78 3.59 0.17 -1.38 0.00 -1.26 -4.43 121.76 117.67 1x65 s ALA 67 Ca -0.09 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1x65 s ALA 67 Cb -0.05 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1x65 s ALA 67 CO -0.00 -0.89 0.31 0.96 0.00 0.00 0.00 175.76 176.14 1x65 s ILE 68 N 2.55 5.30 -0.17 0.00 -4.36 -1.26 -4.74 121.20 118.52 1x65 s ILE 68 Ca 0.26 -0.68 -0.15 0.00 -0.26 0.00 0.00 60.65 59.82 1x65 s ILE 68 Cb -0.15 -3.76 0.02 0.00 1.25 0.00 0.00 42.46 39.82 1x65 s ILE 68 CO 0.09 -0.14 0.26 0.54 0.24 0.00 0.00 174.94 175.93 1x65 n ARG 69 N -0.71 -0.83 -2.81 0.37 1.74 -1.25 -4.29 116.66 108.89 1x65 n ARG 69 Ca -0.07 0.81 -0.43 0.00 -0.77 0.00 0.00 57.85 57.40 1x65 n ARG 69 Cb 0.54 -1.11 -0.04 0.00 -1.02 0.00 0.00 32.46 30.84 1x65 n ARG 69 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x65 s ILE 70 N -0.91 4.56 -0.21 0.55 1.01 0.10 -4.73 121.20 121.57 1x65 s ILE 70 Ca 0.15 1.13 0.02 0.00 0.00 0.00 0.00 60.65 61.94 1x65 s ILE 70 Cb -0.02 -4.35 0.04 0.00 0.01 0.00 0.00 42.46 38.14 1x65 s ILE 70 CO 0.34 -0.58 -0.15 -0.75 0.00 0.00 0.00 174.94 173.79 1x65 s LYS 71 N 3.52 2.55 0.32 2.79 2.20 -1.23 -4.24 119.74 125.65 1x65 s LYS 71 Ca 0.38 -1.03 -0.28 0.00 -0.36 0.00 0.00 55.97 54.68 1x65 s LYS 71 Cb -0.12 -2.66 -0.13 0.00 -1.51 0.00 0.00 37.83 33.41 1x65 s LYS 71 CO 0.20 -0.38 1.21 1.17 -0.36 0.00 0.00 175.35 177.19 1x65 n LYS 72 N 4.56 1.89 -3.77 4.03 4.81 -1.26 -2.88 118.16 125.53 1x65 n LYS 72 Ca -0.17 0.66 -0.32 0.00 -0.87 0.00 0.00 58.31 57.61 1x65 n LYS 72 Cb 0.46 -2.19 -0.05 0.00 0.02 0.00 0.00 35.03 33.28 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 -0.51 4.32 0.51 3.14 1.43 0.49 -4.90 118.68 123.15 1x65 s LEU 73 Ca 0.57 0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 53.94 1x65 s LEU 73 Cb -0.61 -3.07 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 1x65 s LEU 73 CO 0.61 0.13 1.15 -2.16 0.23 0.00 0.00 176.35 176.31 1x65 s PRO 74 N -2.42 3.54 0.55 1.29 0.04 -1.26 -4.60 135.00 132.13 1x65 s PRO 74 Ca 0.36 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 1x65 s PRO 74 Cb -0.13 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1x65 s PRO 74 CO 0.24 -0.71 0.49 1.17 0.04 0.00 0.00 177.00 178.22 1x65 n LYS 75 N -0.93 0.49 -2.10 4.56 4.81 -1.26 -4.00 118.16 119.73 1x65 n LYS 75 Ca 0.10 0.19 -0.02 0.00 -0.87 0.00 0.00 58.31 57.71 1x65 n LYS 75 Cb 0.50 -1.64 0.01 0.00 0.02 0.00 0.00 35.03 33.92 1x65 n LYS 75 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x65 n GLY 76 N 1.82 -0.31 1.68 3.14 0.00 -1.26 -4.99 105.19 105.28 1x65 n GLY 76 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.64 0.00 -4.19 2.61 -1.04 -1.26 -5.13 114.28 103.64 1x65 n THR 77 Ca -0.01 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.74 1x65 n THR 77 Cb 0.52 -0.20 -0.07 0.00 -1.82 0.00 0.00 70.33 68.75 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 -1.84 3.82 0.04 12.58 1.01 -1.26 -5.12 120.40 129.62 1x65 s VAL 78 Ca 0.00 -1.40 -0.29 0.00 0.00 0.00 0.00 61.98 60.30 1x65 s VAL 78 Cb 0.00 -2.93 0.10 0.00 0.00 0.00 0.00 36.38 33.55 1x65 s VAL 78 CO 0.00 -0.12 1.17 -0.44 0.00 0.00 0.00 175.10 175.71 1x65 s SER 79 N -3.00 -0.10 -0.65 3.32 0.01 -1.26 -5.08 113.70 106.95 1x65 s SER 79 Ca 0.28 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.35 1x65 s SER 79 Cb -0.09 0.27 0.16 0.00 0.21 0.00 0.00 66.02 66.57 1x65 s SER 79 CO 0.19 -0.50 0.43 -0.36 0.41 0.00 0.00 173.24 173.41 1x65 s PHE 80 N -2.72 3.44 -0.41 2.43 0.40 -1.26 -4.88 117.98 114.98 1x65 s PHE 80 Ca 0.13 -3.19 -0.21 0.00 -0.60 0.00 0.00 56.93 53.07 1x65 s PHE 80 Cb 0.03 -2.86 0.03 0.00 0.51 0.00 0.00 43.02 40.73 1x65 s PHE 80 CO -0.02 -0.67 0.48 0.72 0.70 0.00 0.00 175.22 176.43 1x65 n HIS 81 N 2.58 -1.83 -3.97 0.36 8.25 -1.26 -4.92 115.22 114.43 1x65 n HIS 81 Ca 0.13 0.76 0.04 0.00 -0.26 0.00 0.00 57.72 58.39 1x65 n HIS 81 Cb 0.34 -1.50 0.01 0.00 1.12 0.00 0.00 29.99 29.96 1x65 n HIS 81 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1x65 s SER 82 N -1.56 0.00 -0.18 0.41 0.15 -1.26 -5.15 113.70 106.10 1x65 s SER 82 Ca 0.20 -0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.71 1x65 s SER 82 Cb -0.02 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 1x65 s SER 82 CO 0.65 -0.13 0.01 -2.28 1.20 0.00 0.00 173.24 172.69 1x65 s HIS 83 N -2.03 3.09 -0.58 3.44 2.46 -1.26 -5.03 115.29 115.39 1x65 s HIS 83 Ca 0.30 -0.26 -0.29 0.00 0.47 0.00 0.00 55.06 55.28 1x65 s HIS 83 Cb 0.01 -2.05 -0.11 0.00 -0.13 0.00 0.00 32.58 30.29 1x65 s HIS 83 CO -0.02 -0.07 2.44 -1.13 -2.47 0.00 0.00 174.74 173.49 1x65 n SER 84 N 3.85 1.85 -1.92 9.88 3.41 -1.26 -4.92 113.62 124.52 1x65 n SER 84 Ca -0.17 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 1x65 n SER 84 Cb 0.52 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1x65 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x65 n GLY 85 N 6.20 1.06 0.08 5.00 0.00 -1.26 -4.97 105.19 111.30 1x65 n GLY 85 Ca 0.44 -1.99 0.10 0.00 0.00 0.00 0.00 46.02 44.57 1x65 n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x65 n PRO 86 N -0.93 0.12 -1.49 1.61 -0.04 -1.26 -4.82 135.00 128.19 1x65 n PRO 86 Ca 0.00 0.37 -0.62 0.00 -0.04 0.00 0.00 63.50 63.21 1x65 n PRO 86 Cb 0.00 -1.74 -0.10 0.00 -0.04 0.00 0.00 33.50 31.62 1x65 n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x65 n SER 87 N -1.97 1.22 -3.30 3.54 2.88 -1.26 -4.90 113.62 109.83 1x65 n SER 87 Ca 0.02 0.88 -0.24 0.00 -1.33 0.00 0.00 58.87 58.20 1x65 n SER 87 Cb 0.20 -0.95 0.20 0.00 -0.75 0.00 0.00 64.21 62.91 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 6.27 -2.19 0.00 -3.46 3.41 -1.26 -5.18 113.62 111.21 1x65 n SER 88 Ca 0.42 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1x65 n SER 88 Cb -0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49