#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o6t n MET 1 N 0.00 0.00 -2.26 -0.41 2.81 -1.26 -5.11 117.12 110.89 2o6t n MET 1 Ca 0.00 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.52 2o6t n MET 1 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 2o6t n MET 1 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2o6t s ALA 2 N -2.00 2.92 -1.43 3.04 0.00 -0.50 -4.93 121.76 118.86 2o6t s ALA 2 Ca 0.00 0.91 0.13 0.00 0.00 0.00 0.00 51.96 53.01 2o6t s ALA 2 Cb 0.00 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.79 2o6t s ALA 2 CO 0.00 -0.68 0.83 0.25 0.00 0.00 0.00 175.76 176.16 2o6t n THR 3 N -0.65 0.00 -1.54 0.00 -2.24 -1.26 -4.81 114.28 103.78 2o6t n THR 3 Ca 0.08 -0.42 -0.37 0.00 -2.27 0.00 0.00 64.05 61.06 2o6t n THR 3 Cb 0.49 1.21 0.05 0.00 -2.10 0.00 0.00 70.33 69.98 2o6t n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2o6t n ALA 4 N 0.24 -0.27 -1.76 6.98 0.00 -1.26 -4.93 120.51 119.50 2o6t n ALA 4 Ca 0.07 -0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 2o6t n ALA 4 Cb 0.31 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 2o6t n ALA 4 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2o6t s PRO 5 N -2.67 4.48 0.00 0.00 0.02 -1.26 -4.96 135.00 130.62 2o6t s PRO 5 Ca 0.74 1.92 -0.30 0.00 0.02 0.00 0.00 61.00 63.38 2o6t s PRO 5 Cb -0.41 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.00 2o6t s PRO 5 CO 0.49 0.03 0.99 1.03 -0.33 0.00 0.00 177.00 179.21 2o6t s ARG 6 N -1.67 4.55 0.65 5.54 0.52 -1.26 -5.01 118.95 122.27 2o6t s ARG 6 Ca 0.47 1.43 -0.16 0.00 -0.52 0.00 0.00 55.73 56.95 2o6t s ARG 6 Cb -0.34 -3.46 -0.00 0.00 0.52 0.00 0.00 34.95 31.67 2o6t s ARG 6 CO 0.44 -0.06 1.15 -2.14 0.02 0.00 0.00 175.30 174.71 2o6t s PRO 7 N 1.03 2.75 0.08 3.54 0.02 -1.26 -4.92 135.00 136.24 2o6t s PRO 7 Ca 0.52 1.57 0.05 0.00 0.02 0.00 0.00 61.00 63.16 2o6t s PRO 7 Cb -0.21 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 2o6t s PRO 7 CO 0.28 -1.32 -0.00 -0.51 -0.33 0.00 0.00 177.00 175.12 2o6t s LEU 8 N -4.66 3.46 0.43 -5.54 1.43 -1.26 -3.33 118.68 109.21 2o6t s LEU 8 Ca 0.71 -0.17 0.25 0.00 -1.03 0.00 0.00 54.13 53.89 2o6t s LEU 8 Cb -0.24 -2.18 1.26 0.00 0.03 0.00 0.00 46.19 45.06 2o6t s LEU 8 CO 0.39 0.18 1.73 -0.09 0.23 0.00 0.00 176.35 178.79 2o6t h ARG 9 N 3.50 0.24 0.00 1.70 2.43 -1.95 -1.23 114.38 119.07 2o6t h ARG 9 Ca -0.48 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2o6t h ARG 9 Cb 1.17 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2o6t h ARG 9 CO 0.60 0.16 0.00 0.93 -1.51 0.00 0.00 179.97 180.14 2o6t h GLU 10 N 0.25 0.00 0.00 0.20 3.07 -1.94 -2.57 114.58 113.58 2o6t h GLU 10 Ca 0.67 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 2o6t h GLU 10 Cb 1.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.87 2o6t h GLU 10 CO -0.30 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.35 2o6t n GLN 11 N -2.89 0.55 -4.13 2.33 6.02 -0.47 -4.77 117.38 114.03 2o6t n GLN 11 Ca 0.02 0.01 -0.27 0.00 -0.01 0.00 0.00 57.00 56.75 2o6t n GLN 11 Cb 0.37 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.06 2o6t n GLN 11 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2o6t s TYR 12 N -2.41 3.01 -0.21 1.08 1.51 -0.97 -4.90 117.35 114.46 2o6t s TYR 12 Ca 0.32 -0.05 -0.08 0.00 -1.01 0.00 0.00 57.07 56.24 2o6t s TYR 12 Cb 0.19 -1.48 -0.19 0.00 -0.11 0.00 0.00 41.96 40.38 2o6t s TYR 12 CO 0.41 0.51 -0.01 1.28 -1.11 0.00 0.00 175.55 176.63 2o6t n LEU 13 N -0.01 2.47 -4.05 -1.29 7.99 -0.67 -4.94 117.00 116.51 2o6t n LEU 13 Ca -0.09 0.16 -0.20 0.00 -0.01 0.00 0.00 56.01 55.87 2o6t n LEU 13 Cb 0.54 -0.96 -0.15 0.00 -0.11 0.00 0.00 43.42 42.74 2o6t n LEU 13 CO 0.41 0.72 -0.44 -2.28 -1.51 0.00 0.00 177.39 174.29 2o6t s HIS 14 N -2.50 0.94 0.10 -1.77 2.46 -0.82 -4.98 115.29 108.72 2o6t s HIS 14 Ca -0.31 -0.18 0.08 0.00 0.47 0.00 0.00 55.06 55.13 2o6t s HIS 14 Cb 0.09 -0.60 -0.03 0.00 -0.13 0.00 0.00 32.58 31.90 2o6t s HIS 14 CO 0.62 -0.02 -0.22 -0.06 -2.47 0.00 0.00 174.74 172.60 2o6t s PHE 15 N -0.24 1.87 -0.20 3.88 0.40 -1.26 -0.53 117.98 121.90 2o6t s PHE 15 Ca 0.04 -0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 55.91 2o6t s PHE 15 Cb -0.04 -1.04 0.10 0.00 0.51 0.00 0.00 43.02 42.55 2o6t s PHE 15 CO -0.00 0.21 0.39 -1.14 0.70 0.00 0.00 175.22 175.38 2o6t s GLN 16 N -1.81 0.31 0.33 0.44 0.74 -0.50 -4.94 119.66 114.22 2o6t s GLN 16 Ca 0.08 0.89 -0.29 0.00 0.05 0.00 0.00 55.36 56.09 2o6t s GLN 16 Cb -0.10 0.10 -0.10 0.00 1.10 0.00 0.00 33.01 34.02 2o6t s GLN 16 CO 0.04 -0.35 1.25 -1.25 -0.55 0.00 0.00 175.29 174.43 2o6t s PRO 17 N 2.58 4.40 -0.05 1.67 0.04 -1.26 -0.60 135.00 141.77 2o6t s PRO 17 Ca 0.02 2.10 0.02 0.00 0.04 0.00 0.00 61.00 63.18 2o6t s PRO 17 Cb -0.13 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.36 2o6t s PRO 17 CO -0.13 -0.11 -0.10 0.42 0.04 0.00 0.00 177.00 177.12 2o6t s ILE 18 N -1.16 0.98 0.13 0.56 1.01 -0.88 -4.91 121.20 116.92 2o6t s ILE 18 Ca 0.48 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 60.46 2o6t s ILE 18 Cb -0.37 -0.90 -0.07 0.00 0.01 0.00 0.00 42.46 41.13 2o6t s ILE 18 CO 0.49 0.32 0.85 -0.94 0.00 0.00 0.00 174.94 175.66 2o6t s SER 19 N 0.62 7.41 0.59 3.58 1.04 -1.26 -3.89 113.70 121.78 2o6t s SER 19 Ca -0.12 1.67 -0.11 0.00 0.48 0.00 0.00 55.95 57.87 2o6t s SER 19 Cb -0.14 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 2o6t s SER 19 CO 0.03 0.07 1.00 0.42 0.98 0.00 0.00 173.24 175.74 2o6t s THR 20 N -0.51 4.70 0.08 2.02 -4.23 -1.26 -5.06 115.64 111.37 2o6t s THR 20 Ca 0.40 0.88 0.06 0.00 -1.18 0.00 0.00 61.69 61.85 2o6t s THR 20 Cb -0.23 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.74 2o6t s THR 20 CO 0.27 -1.05 -0.16 -0.13 -0.54 0.00 0.00 174.62 173.01 2o6t s ARG 21 N -4.96 0.89 0.22 3.99 0.52 -1.26 -4.99 118.95 113.36 2o6t s ARG 21 Ca 0.55 -0.99 -0.17 0.00 -0.52 0.00 0.00 55.73 54.60 2o6t s ARG 21 Cb -0.11 -0.95 0.23 0.00 0.52 0.00 0.00 34.95 34.64 2o6t s ARG 21 CO 0.50 0.22 1.57 2.35 0.02 0.00 0.00 175.30 179.95 2o6t h TRP 22 N 4.28 -0.89 -0.29 -0.53 2.91 -1.98 0.55 115.95 120.00 2o6t h TRP 22 Ca -0.42 0.09 0.00 0.00 1.13 0.00 0.00 58.89 59.69 2o6t h TRP 22 Cb 1.19 0.51 0.00 0.00 -0.51 0.00 0.00 29.16 30.35 2o6t h TRP 22 CO 0.62 -0.39 0.00 1.58 -1.03 0.00 0.00 178.44 179.22 2o6t n HIS 23 N -5.48 0.54 0.10 2.65 -0.00 -1.26 -2.89 115.22 108.88 2o6t n HIS 23 Ca 0.09 -0.23 0.00 0.00 0.46 0.00 0.00 57.72 58.03 2o6t n HIS 23 Cb 0.39 -0.07 0.30 0.00 -0.12 0.00 0.00 29.99 30.49 2o6t n HIS 23 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 2o6t h ASP 24 N 1.77 0.24 -3.63 0.26 3.32 -1.27 -3.42 116.42 113.70 2o6t h ASP 24 Ca 0.00 -0.08 -0.51 0.00 0.02 0.00 0.00 57.03 56.47 2o6t h ASP 24 Cb 0.61 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2o6t h ASP 24 CO 0.06 0.52 0.40 0.20 -1.72 0.00 0.00 179.24 178.70 2o6t s ASN 25 N -6.87 7.45 0.03 6.45 0.01 -1.14 -1.08 114.94 119.79 2o6t s ASN 25 Ca -0.05 1.96 0.00 0.00 -0.71 0.00 0.00 52.86 54.06 2o6t s ASN 25 Cb 0.14 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.20 2o6t s ASN 25 CO 0.75 -0.07 0.00 -0.90 -1.51 0.00 0.00 177.10 175.38 2o6t n ASP 26 N 2.24 0.00 0.29 -1.22 5.68 -0.49 -4.85 116.55 118.20 2o6t n ASP 26 Ca 0.01 -0.91 0.15 0.00 -0.50 0.00 0.00 54.79 53.55 2o6t n ASP 26 Cb 0.47 0.00 0.91 0.00 -1.14 0.00 0.00 41.12 41.36 2o6t n ASP 26 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2o6t h ILE 27 N -0.03 0.52 -0.00 2.12 2.10 -1.96 0.12 117.51 120.37 2o6t h ILE 27 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2o6t h ILE 27 Cb 0.00 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 36.71 2o6t h ILE 27 CO 0.00 0.00 -0.15 -1.22 -1.08 0.00 0.00 178.15 175.70 2o6t n TYR 28 N -3.84 0.00 -0.03 2.19 4.01 -1.26 -4.94 117.16 113.29 2o6t n TYR 28 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2o6t n TYR 28 Cb 0.11 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 2o6t n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2o6t n GLY 29 N 1.32 0.42 3.73 2.72 0.00 0.42 -5.07 105.19 108.73 2o6t n GLY 29 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2o6t n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o6t s HIS 30 N -2.07 2.44 0.20 1.61 3.76 -1.26 -4.79 115.29 115.18 2o6t s HIS 30 Ca 0.00 -0.66 -0.31 0.00 -0.15 0.00 0.00 55.06 53.93 2o6t s HIS 30 Cb 0.00 -1.88 -0.11 0.00 1.11 0.00 0.00 32.58 31.70 2o6t s HIS 30 CO 0.00 0.20 1.61 0.08 -0.85 0.00 0.00 174.74 175.78 2o6t s VAL 31 N -2.67 2.35 0.54 -0.90 1.01 0.10 -1.39 120.40 119.45 2o6t s VAL 31 Ca 0.36 0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.38 2o6t s VAL 31 Cb 0.05 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 2o6t s VAL 31 CO 0.19 0.03 1.38 0.21 0.00 0.00 0.00 175.10 176.90 2o6t s ASN 32 N 0.99 5.29 0.38 3.32 3.84 -0.24 -4.82 114.94 123.69 2o6t s ASN 32 Ca 0.70 2.80 0.04 0.00 0.21 0.00 0.00 52.86 56.61 2o6t s ASN 32 Cb -0.46 -2.64 0.74 0.00 -0.55 0.00 0.00 41.25 38.34 2o6t s ASN 32 CO 0.35 -1.56 2.03 -0.55 -2.79 0.00 0.00 177.10 174.58 2o6t h ASN 33 N 1.52 0.61 -0.74 -4.21 -1.07 -1.92 -2.46 115.58 107.31 2o6t h ASN 33 Ca -0.51 -0.02 -0.02 0.00 0.07 0.00 0.00 56.30 55.82 2o6t h ASN 33 Cb 1.30 -0.15 -0.03 0.00 -2.07 0.00 0.00 38.32 37.36 2o6t h ASN 33 CO 0.57 0.44 0.38 0.58 0.07 0.00 0.00 177.43 179.48 2o6t h VAL 34 N 0.72 1.23 -0.75 6.14 2.07 -1.99 -2.56 116.25 121.12 2o6t h VAL 34 Ca 0.20 -0.61 0.18 0.00 0.82 0.00 0.00 66.70 67.28 2o6t h VAL 34 Cb -0.08 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 2o6t h VAL 34 CO -0.04 0.26 0.51 0.74 0.02 0.00 0.00 177.57 179.07 2o6t h THR 35 N 1.03 0.72 -0.99 2.57 2.02 -1.81 -0.97 112.91 115.48 2o6t h THR 35 Ca 0.26 -0.09 0.15 0.00 0.77 0.00 0.00 66.41 67.50 2o6t h THR 35 Cb 0.07 0.44 -0.09 0.00 -1.74 0.00 0.00 68.15 66.83 2o6t h THR 35 CO -0.04 0.05 0.62 1.88 0.37 0.00 0.00 175.52 178.40 2o6t h TYR 36 N 0.26 1.07 -0.26 3.16 -1.99 -1.54 -0.42 116.97 117.25 2o6t h TYR 36 Ca 0.37 0.03 -0.14 0.00 2.00 0.00 0.00 58.73 61.00 2o6t h TYR 36 Cb 1.07 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 39.46 2o6t h TYR 36 CO -0.00 0.34 -0.40 1.88 -0.00 0.00 0.00 178.16 179.98 2o6t h TYR 37 N 0.86 0.73 -0.89 4.88 -1.99 -1.32 0.42 116.97 119.66 2o6t h TYR 37 Ca 0.52 -0.21 0.04 0.00 2.00 0.00 0.00 58.73 61.08 2o6t h TYR 37 Cb 0.70 -0.16 -0.05 0.00 2.00 0.00 0.00 36.73 39.22 2o6t h TYR 37 CO -0.00 0.92 0.59 0.00 -0.00 0.00 0.00 178.16 179.66 2o6t h ALA 38 N 1.05 1.45 -0.71 3.88 0.00 -1.10 -0.92 119.26 122.91 2o6t h ALA 38 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2o6t h ALA 38 Cb 0.92 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2o6t h ALA 38 CO 0.08 0.45 0.32 0.74 0.00 0.00 0.00 179.25 180.85 2o6t h PHE 39 N 1.10 1.04 -0.13 0.00 0.04 0.18 -2.16 116.94 117.01 2o6t h PHE 39 Ca 0.36 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 61.09 2o6t h PHE 39 Cb 0.05 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.87 2o6t h PHE 39 CO -0.00 0.78 0.01 0.74 -0.60 0.00 0.00 178.31 179.24 2o6t h PHE 40 N 0.99 0.02 -0.93 -0.55 0.04 -0.11 -0.86 116.94 115.54 2o6t h PHE 40 Ca 0.24 0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.03 2o6t h PHE 40 Cb 0.14 0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 2o6t h PHE 40 CO 0.01 0.00 0.60 0.22 -0.60 0.00 0.00 178.31 178.54 2o6t h ASP 41 N 0.07 1.09 -0.02 2.17 1.82 -1.03 -2.11 116.42 118.40 2o6t h ASP 41 Ca 0.06 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2o6t h ASP 41 Cb 0.06 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 39.80 2o6t h ASP 41 CO -0.09 0.80 -0.01 0.74 -1.61 0.00 0.00 179.24 179.07 2o6t h THR 42 N 1.27 1.36 0.29 2.25 2.02 -1.21 -1.09 112.91 117.80 2o6t h THR 42 Ca 0.34 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 2o6t h THR 42 Cb -0.12 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 2o6t h THR 42 CO -0.07 0.29 -0.26 0.00 0.37 0.00 0.00 175.52 175.84 2o6t h ALA 43 N 0.56 -0.56 0.16 6.16 0.00 -0.92 0.66 119.26 125.31 2o6t h ALA 43 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2o6t h ALA 43 Cb 0.47 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2o6t h ALA 43 CO 0.00 -0.84 -0.27 0.28 0.00 0.00 0.00 179.25 178.42 2o6t h VAL 44 N -0.57 0.41 -0.11 0.00 2.07 -1.42 -1.43 116.25 115.21 2o6t h VAL 44 Ca -0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2o6t h VAL 44 Cb 0.52 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2o6t h VAL 44 CO -0.04 0.00 -0.14 0.78 0.02 0.00 0.00 177.57 178.20 2o6t h ASN 45 N -0.50 0.16 -0.16 0.57 2.35 -1.07 0.12 115.58 117.05 2o6t h ASN 45 Ca 0.02 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2o6t h ASN 45 Cb 0.51 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2o6t h ASN 45 CO -0.13 0.31 0.02 0.74 -1.65 0.00 0.00 177.43 176.72 2o6t h THR 46 N 0.16 1.23 -0.07 2.81 2.02 -0.45 -1.71 112.91 116.91 2o6t h THR 46 Ca 0.03 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.50 2o6t h THR 46 Cb 0.34 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 2o6t h THR 46 CO 0.02 0.22 -0.20 0.22 0.37 0.00 0.00 175.52 176.15 2o6t h TYR 47 N 0.03 -0.53 -0.51 3.16 3.20 -0.45 -1.53 116.97 120.33 2o6t h TYR 47 Ca 0.05 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.07 2o6t h TYR 47 Cb 0.33 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2o6t h TYR 47 CO 0.02 -0.28 0.36 -0.07 -1.64 0.00 0.00 178.16 176.55 2o6t h LEU 48 N -0.29 0.11 0.11 2.82 3.38 -0.51 0.03 115.31 120.97 2o6t h LEU 48 Ca 0.08 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.82 2o6t h LEU 48 Cb 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2o6t h LEU 48 CO -0.24 0.06 -1.16 0.40 0.09 0.00 0.00 178.44 177.60 2o6t h ILE 49 N 0.12 1.21 0.00 1.22 2.04 -0.85 -0.86 117.51 120.39 2o6t h ILE 49 Ca 0.24 -2.43 -0.19 0.00 1.00 0.00 0.00 64.86 63.49 2o6t h ILE 49 Cb 0.81 2.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.73 2o6t h ILE 49 CO -0.03 0.68 -0.90 -0.33 0.00 0.00 0.00 178.15 177.57 2o6t h GLU 50 N -0.39 0.00 0.00 2.37 5.08 -1.15 -3.23 114.58 117.26 2o6t h GLU 50 Ca -0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2o6t h GLU 50 Cb 1.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.92 2o6t h GLU 50 CO 0.07 0.90 -1.38 0.54 -1.00 0.00 0.00 179.01 178.14 2o6t n ARG 51 N -3.34 0.27 -0.00 2.33 5.12 -0.01 -4.71 116.66 116.31 2o6t n ARG 51 Ca 0.00 -0.08 0.08 0.00 -1.93 0.00 0.00 57.85 55.93 2o6t n ARG 51 Cb 0.89 -1.20 -0.10 0.00 -1.16 0.00 0.00 32.46 30.90 2o6t n ARG 51 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2o6t n GLY 52 N 2.04 -0.56 2.20 -0.13 0.00 -0.65 -4.55 105.19 103.53 2o6t n GLY 52 Ca -0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.50 2o6t n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o6t n GLY 53 N 1.40 0.76 3.69 -0.02 0.00 -0.88 -3.06 105.19 107.08 2o6t n GLY 53 Ca 0.02 -0.65 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 2o6t n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2o6t n LEU 54 N -0.57 3.39 -4.03 0.99 7.94 -0.42 -4.95 117.00 119.36 2o6t n LEU 54 Ca -0.05 1.10 -0.33 0.00 -1.11 0.00 0.00 56.01 55.62 2o6t n LEU 54 Cb 0.19 -1.47 -0.13 0.00 0.53 0.00 0.00 43.42 42.54 2o6t n LEU 54 CO 0.08 -0.21 -0.16 -0.62 -1.11 0.00 0.00 177.39 175.36 2o6t s ASP 55 N 0.75 4.79 0.48 1.96 2.15 -1.26 -4.58 116.67 120.95 2o6t s ASP 55 Ca 0.74 -2.62 0.27 0.00 0.43 0.00 0.00 52.55 51.37 2o6t s ASP 55 Cb -0.62 -1.72 0.71 0.00 -0.30 0.00 0.00 42.92 40.98 2o6t s ASP 55 CO 0.41 -0.35 1.74 0.16 -0.17 0.00 0.00 175.17 176.97 2o6t h ILE 56 N 5.85 0.00 0.04 4.11 3.07 -1.93 -0.65 117.51 128.00 2o6t h ILE 56 Ca -0.06 -0.83 -0.25 0.00 1.55 0.00 0.00 64.86 65.26 2o6t h ILE 56 Cb 0.96 1.83 -0.02 0.00 -0.27 0.00 0.00 36.82 39.32 2o6t h ILE 56 CO 0.66 0.00 -1.25 1.56 -1.05 0.00 0.00 178.15 178.07 2o6t h GLN 57 N 0.00 0.09 0.00 0.16 1.08 -2.02 -3.42 115.11 111.00 2o6t h GLN 57 Ca -0.00 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2o6t h GLN 57 Cb 0.83 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2o6t h GLN 57 CO 0.00 0.97 -0.02 0.41 -0.95 0.00 0.00 178.83 179.25 2o6t n GLY 58 N 1.47 -0.02 3.79 3.46 0.00 -1.22 -5.10 105.19 107.56 2o6t n GLY 58 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2o6t n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2o6t s GLY 59 N -0.03 2.30 0.02 -0.02 0.00 -0.25 -4.97 107.32 104.36 2o6t s GLY 59 Ca 0.00 0.55 0.20 0.00 0.00 0.00 0.00 44.72 45.47 2o6t s GLY 59 CO 0.00 0.89 0.64 1.18 0.00 0.00 0.00 173.10 175.80 2o6t n GLU 60 N -1.78 0.64 -4.23 2.90 1.02 -1.26 -4.79 120.64 113.15 2o6t n GLU 60 Ca 0.10 0.04 -0.34 0.00 -0.02 0.00 0.00 57.16 56.94 2o6t n GLU 60 Cb 0.52 -1.68 -0.12 0.00 -0.02 0.00 0.00 31.44 30.14 2o6t n GLU 60 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2o6t s VAL 61 N -3.10 3.87 0.27 2.62 1.01 -1.26 -0.33 120.40 123.47 2o6t s VAL 61 Ca -0.05 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.68 2o6t s VAL 61 Cb 0.10 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2o6t s VAL 61 CO 0.84 0.46 -0.16 0.27 0.00 0.00 0.00 175.10 176.51 2o6t s ILE 62 N 0.73 2.21 -0.27 2.22 -4.36 -0.49 -4.86 121.20 116.38 2o6t s ILE 62 Ca -0.01 -2.31 -0.10 0.00 -0.26 0.00 0.00 60.65 57.96 2o6t s ILE 62 Cb -0.14 -2.31 -0.05 0.00 1.25 0.00 0.00 42.46 41.21 2o6t s ILE 62 CO 0.02 -0.41 0.17 -0.83 0.24 0.00 0.00 174.94 174.13 2o6t s GLY 63 N -3.48 1.90 -0.09 6.27 0.00 -1.26 -0.81 107.32 109.85 2o6t s GLY 63 Ca 0.29 -1.09 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 2o6t s GLY 63 CO 0.13 0.62 -0.01 1.08 0.00 0.00 0.00 173.10 174.92 2o6t s LEU 64 N 1.71 3.50 -0.27 0.66 1.43 0.17 -4.92 118.68 120.97 2o6t s LEU 64 Ca 0.07 0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.01 2o6t s LEU 64 Cb -0.16 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2o6t s LEU 64 CO 0.10 0.36 0.89 -0.69 0.23 0.00 0.00 176.35 177.23 2o6t s VAL 65 N -0.76 4.75 -0.07 -1.59 1.01 -1.26 -0.60 120.40 121.88 2o6t s VAL 65 Ca 0.12 1.57 0.15 0.00 0.00 0.00 0.00 61.98 63.82 2o6t s VAL 65 Cb -0.11 -4.20 -0.23 0.00 0.00 0.00 0.00 36.38 31.84 2o6t s VAL 65 CO 0.02 -0.19 0.35 1.33 0.00 0.00 0.00 175.10 176.61 2o6t n VAL 66 N 5.42 0.00 -3.59 2.92 0.24 -0.37 -4.98 118.33 117.97 2o6t n VAL 66 Ca 0.07 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.34 61.95 2o6t n VAL 66 Cb 0.47 0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 33.03 2o6t n VAL 66 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2o6t s SER 67 N -3.66 -0.39 0.13 -1.34 1.04 -1.25 -5.00 113.70 103.22 2o6t s SER 67 Ca -0.05 -0.21 -0.24 0.00 0.48 0.00 0.00 55.95 55.93 2o6t s SER 67 Cb 0.10 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.86 2o6t s SER 67 CO 0.63 -0.98 0.68 -0.94 0.98 0.00 0.00 173.24 173.61 2o6t s SER 68 N -2.76 -0.50 0.21 7.02 1.04 -1.26 -1.37 113.70 116.08 2o6t s SER 68 Ca 0.06 -0.04 -0.23 0.00 0.48 0.00 0.00 55.95 56.22 2o6t s SER 68 Cb -0.02 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.70 2o6t s SER 68 CO -0.05 -0.91 0.75 -0.94 0.98 0.00 0.00 173.24 173.06 2o6t s SER 69 N -2.70 -0.32 -0.15 7.02 1.04 0.08 -4.97 113.70 113.70 2o6t s SER 69 Ca 0.03 -0.39 -0.23 0.00 0.48 0.00 0.00 55.95 55.83 2o6t s SER 69 Cb -0.01 0.63 0.06 0.00 0.10 0.00 0.00 66.02 66.80 2o6t s SER 69 CO -0.11 -1.13 0.59 0.00 0.98 0.00 0.00 173.24 173.57 2o6t s ASP 71 N -0.34 3.63 -0.18 0.00 1.01 0.12 -4.95 116.67 115.96 2o6t s ASP 71 Ca -0.05 -0.31 -0.03 0.00 0.71 0.00 0.00 52.55 52.87 2o6t s ASP 71 Cb -0.03 -0.65 -0.01 0.00 1.01 0.00 0.00 42.92 43.24 2o6t s ASP 71 CO 0.04 0.33 -0.06 -0.31 0.21 0.00 0.00 175.17 175.38 2o6t s TYR 72 N -0.68 2.94 -0.18 4.23 1.51 -1.26 -1.37 117.35 122.53 2o6t s TYR 72 Ca 0.11 -0.71 0.07 0.00 -1.01 0.00 0.00 57.07 55.53 2o6t s TYR 72 Cb -0.10 -2.01 -0.16 0.00 -0.11 0.00 0.00 41.96 39.58 2o6t s TYR 72 CO -0.00 -0.34 -0.08 1.19 -1.11 0.00 0.00 175.55 175.21 2o6t n PHE 73 N 4.19 0.00 -3.64 2.71 3.01 0.39 -1.41 117.46 122.71 2o6t n PHE 73 Ca -0.18 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.16 2o6t n PHE 73 Cb 0.52 -0.79 -0.07 0.00 -0.01 0.00 0.00 39.48 39.13 2o6t n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2o6t s ALA 74 N -2.40 -1.73 0.69 4.37 0.00 -0.63 -4.32 121.76 117.74 2o6t s ALA 74 Ca -0.19 2.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.68 2o6t s ALA 74 Cb 0.06 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 22.00 2o6t s ALA 74 CO 0.55 -0.34 1.06 -1.25 0.00 0.00 0.00 175.76 175.79 2o6t s PRO 75 N 0.64 2.90 0.29 0.00 0.04 -1.26 -4.62 135.00 132.99 2o6t s PRO 75 Ca -0.02 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.09 2o6t s PRO 75 Cb -0.05 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 2o6t s PRO 75 CO -0.04 -1.13 0.06 0.14 0.04 0.00 0.00 177.00 176.07 2o6t s VAL 76 N -2.90 0.99 -0.06 -0.36 -7.23 -1.26 -5.03 120.40 104.55 2o6t s VAL 76 Ca 0.60 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.71 2o6t s VAL 76 Cb -0.15 -2.68 0.02 0.00 0.56 0.00 0.00 36.38 34.12 2o6t s VAL 76 CO 0.52 -0.05 0.16 0.00 -0.31 0.00 0.00 175.10 175.42 2o6t s ALA 77 N -3.45 -0.39 0.32 1.32 0.00 -1.26 0.03 121.76 118.34 2o6t s ALA 77 Ca 0.36 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.48 2o6t s ALA 77 Cb 0.08 -0.26 -0.13 0.00 0.00 0.00 0.00 23.12 22.81 2o6t s ALA 77 CO 0.14 -0.07 1.16 0.34 0.00 0.00 0.00 175.76 177.32 2o6t n PHE 78 N 2.99 1.80 -0.94 0.00 7.35 -1.26 0.57 117.46 127.98 2o6t n PHE 78 Ca -0.12 0.62 -0.22 0.00 -0.76 0.00 0.00 57.45 56.97 2o6t n PHE 78 Cb 0.59 -2.34 0.14 0.00 0.35 0.00 0.00 39.48 38.22 2o6t n PHE 78 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2o6t n PRO 79 N 0.62 2.12 -1.67 -7.13 -0.04 -1.26 -5.00 135.00 122.63 2o6t n PRO 79 Ca 0.07 -2.59 -0.36 0.00 -0.04 0.00 0.00 63.50 60.58 2o6t n PRO 79 Cb 0.34 -2.02 0.07 0.00 -0.04 0.00 0.00 33.50 31.86 2o6t n PRO 79 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2o6t s GLN 80 N -2.87 2.45 -0.19 0.54 -0.21 0.19 -4.88 119.66 114.70 2o6t s GLN 80 Ca 0.49 1.99 -0.15 0.00 0.02 0.00 0.00 55.36 57.72 2o6t s GLN 80 Cb 0.41 -1.84 -0.04 0.00 1.00 0.00 0.00 33.01 32.54 2o6t s GLN 80 CO 0.08 -1.66 0.34 1.03 -2.12 0.00 0.00 175.29 172.97 2o6t s ARG 81 N -3.50 4.19 0.31 2.91 0.52 -1.26 -4.37 118.95 117.76 2o6t s ARG 81 Ca 0.81 0.13 0.06 0.00 -0.52 0.00 0.00 55.73 56.20 2o6t s ARG 81 Cb -0.35 -3.50 -0.06 0.00 0.52 0.00 0.00 34.95 31.55 2o6t s ARG 81 CO 0.41 0.06 -0.01 0.96 0.02 0.00 0.00 175.30 176.74 2o6t s ILE 82 N 1.02 1.52 -0.15 1.52 -4.36 -1.25 -1.14 121.20 118.37 2o6t s ILE 82 Ca 0.17 -2.06 -0.08 0.00 -0.26 0.00 0.00 60.65 58.42 2o6t s ILE 82 Cb -0.14 -2.65 0.05 0.00 1.25 0.00 0.00 42.46 40.97 2o6t s ILE 82 CO 0.06 -0.15 0.35 -0.70 0.24 0.00 0.00 174.94 174.75 2o6t s GLU 83 N -3.79 0.33 -0.16 0.37 2.12 -0.06 -2.07 118.70 115.45 2o6t s GLU 83 Ca 0.33 0.68 -0.12 0.00 0.36 0.00 0.00 54.97 56.22 2o6t s GLU 83 Cb 0.06 -0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.37 2o6t s GLU 83 CO 0.14 -0.15 0.22 -1.64 -0.54 0.00 0.00 175.26 173.29 2o6t s MET 84 N 1.27 4.12 -0.01 4.30 -1.94 0.23 -0.73 119.30 126.53 2o6t s MET 84 Ca -0.09 -0.03 -0.18 0.00 -1.71 0.00 0.00 55.69 53.68 2o6t s MET 84 Cb -0.09 -3.39 -0.05 0.00 2.01 0.00 0.00 34.83 33.31 2o6t s MET 84 CO -0.10 0.35 0.51 0.20 -0.01 0.00 0.00 175.02 175.97 2o6t s GLY 85 N 0.18 2.54 -0.02 -0.03 0.00 0.19 -1.41 107.32 108.77 2o6t s GLY 85 Ca 0.14 -0.08 0.03 0.00 0.00 0.00 0.00 44.72 44.80 2o6t s GLY 85 CO 0.02 0.54 -0.11 -2.27 0.00 0.00 0.00 173.10 171.28 2o6t s LEU 86 N -0.43 1.94 0.16 0.66 2.96 0.31 -1.55 118.68 122.73 2o6t s LEU 86 Ca 0.27 -0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 53.87 2o6t s LEU 86 Cb -0.17 -0.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.90 2o6t s LEU 86 CO 0.15 0.12 0.30 0.00 -1.32 0.00 0.00 176.35 175.60 2o6t s ARG 87 N -0.10 1.16 -0.30 1.98 1.70 -0.30 -1.67 118.95 121.42 2o6t s ARG 87 Ca 0.01 -1.13 -0.09 0.00 -0.47 0.00 0.00 55.73 54.05 2o6t s ARG 87 Cb -0.06 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 2o6t s ARG 87 CO 0.00 -0.43 0.14 0.08 -1.08 0.00 0.00 175.30 174.01 2o6t s VAL 88 N -3.95 4.55 0.07 4.99 1.01 -0.78 -0.00 120.40 126.29 2o6t s VAL 88 Ca 0.16 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 2o6t s VAL 88 Cb 0.03 -3.30 -0.28 0.00 0.00 0.00 0.00 36.38 32.82 2o6t s VAL 88 CO -0.01 0.10 1.13 0.00 0.00 0.00 0.00 175.10 176.32 2o6t h ALA 89 N 8.33 0.07 -3.01 5.51 0.00 -1.24 -3.32 119.26 125.60 2o6t h ALA 89 Ca -0.33 -0.84 -0.15 0.00 0.00 0.00 0.00 54.91 53.59 2o6t h ALA 89 Cb 1.15 0.05 -0.25 0.00 0.00 0.00 0.00 17.79 18.74 2o6t h ALA 89 CO 0.61 0.86 -0.38 0.50 0.00 0.00 0.00 179.25 180.84 2o6t s ARG 90 N -2.78 0.34 -0.30 0.00 3.52 -1.16 -4.97 118.95 113.60 2o6t s ARG 90 Ca -0.06 0.43 -0.00 0.00 -0.13 0.00 0.00 55.73 55.97 2o6t s ARG 90 Cb 0.07 0.15 0.09 0.00 -1.56 0.00 0.00 34.95 33.69 2o6t s ARG 90 CO 0.90 -0.05 0.07 -1.17 -0.81 0.00 0.00 175.30 174.24 2o6t s LEU 91 N 0.25 2.57 0.00 -0.88 2.96 -1.26 -0.58 118.68 121.73 2o6t s LEU 91 Ca -0.01 -1.62 0.00 0.00 -0.22 0.00 0.00 54.13 52.29 2o6t s LEU 91 Cb -0.03 -0.99 0.01 0.00 0.50 0.00 0.00 46.19 45.69 2o6t s LEU 91 CO -0.00 -0.39 0.06 0.61 -1.32 0.00 0.00 176.35 175.31 2o6t n GLY 92 N 4.76 1.60 0.22 7.98 0.00 0.36 -5.02 105.19 115.09 2o6t n GLY 92 Ca -0.02 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 2o6t n GLY 92 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2o6t h ASN 93 N -0.01 0.80 0.00 1.61 -0.00 -1.99 -3.37 115.58 112.63 2o6t h ASN 93 Ca -0.02 -0.49 0.00 0.00 -0.00 0.00 0.00 56.30 55.79 2o6t h ASN 93 Cb 0.09 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.18 2o6t h ASN 93 CO 0.03 1.13 0.00 -1.54 -0.00 0.00 0.00 177.43 177.05 2o6t n SER 94 N -4.21 0.89 -4.27 1.15 3.41 -1.26 -0.85 113.62 108.48 2o6t n SER 94 Ca -0.04 -1.04 -0.15 0.00 -0.26 0.00 0.00 58.87 57.38 2o6t n SER 94 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 2o6t n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2o6t s SER 95 N -0.04 1.42 -0.17 4.04 1.04 -1.26 -1.34 113.70 117.40 2o6t s SER 95 Ca 0.00 -1.19 -0.15 0.00 0.48 0.00 0.00 55.95 55.09 2o6t s SER 95 Cb 0.00 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.25 2o6t s SER 95 CO 0.00 -0.55 0.45 0.54 0.98 0.00 0.00 173.24 174.67 2o6t s VAL 96 N -3.57 -0.00 -0.21 5.02 0.11 -0.21 -0.49 120.40 121.05 2o6t s VAL 96 Ca 0.26 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.24 2o6t s VAL 96 Cb 0.06 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 2o6t s VAL 96 CO 0.06 0.00 0.06 -1.58 -3.33 0.00 0.00 175.10 170.31 2o6t s GLN 97 N 0.30 3.78 0.03 1.54 0.74 0.25 -1.70 119.66 124.60 2o6t s GLN 97 Ca -0.01 -0.43 -0.04 0.00 0.05 0.00 0.00 55.36 54.94 2o6t s GLN 97 Cb -0.03 -3.24 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 2o6t s GLN 97 CO -0.00 0.04 0.24 0.71 -0.55 0.00 0.00 175.29 175.72 2o6t s TYR 98 N 1.01 3.54 -0.09 1.67 1.51 0.22 -0.73 117.35 124.47 2o6t s TYR 98 Ca 0.04 0.43 0.04 0.00 -1.01 0.00 0.00 57.07 56.57 2o6t s TYR 98 Cb -0.14 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 2o6t s TYR 98 CO 0.03 0.60 -0.23 -1.21 -1.11 0.00 0.00 175.55 173.62 2o6t s GLU 99 N -2.08 2.90 0.16 -0.62 2.02 1.00 -1.94 118.70 120.12 2o6t s GLU 99 Ca 0.31 -0.87 0.07 0.00 0.02 0.00 0.00 54.97 54.49 2o6t s GLU 99 Cb -0.13 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 2o6t s GLU 99 CO 0.20 0.26 -0.15 -0.51 0.02 0.00 0.00 175.26 175.09 2o6t s LEU 100 N 0.15 2.48 -0.09 1.80 1.02 -0.39 -1.15 118.68 122.49 2o6t s LEU 100 Ca -0.13 -0.92 -0.11 0.00 0.02 0.00 0.00 54.13 52.99 2o6t s LEU 100 Cb -0.16 -0.62 0.03 0.00 0.02 0.00 0.00 46.19 45.45 2o6t s LEU 100 CO 0.07 -0.15 0.30 0.00 0.02 0.00 0.00 176.35 176.59 2o6t s ALA 101 N -2.55 -0.76 -0.15 4.21 0.00 -0.60 -1.60 121.76 120.31 2o6t s ALA 101 Ca 0.16 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 2o6t s ALA 101 Cb -0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2o6t s ALA 101 CO 0.05 -0.17 0.18 -1.17 0.00 0.00 0.00 175.76 174.65 2o6t s LEU 102 N -0.20 4.29 0.13 0.00 0.20 -0.15 0.57 118.68 123.52 2o6t s LEU 102 Ca -0.03 0.41 0.09 0.00 0.69 0.00 0.00 54.13 55.29 2o6t s LEU 102 Cb -0.03 -2.17 -0.04 0.00 -0.43 0.00 0.00 46.19 43.52 2o6t s LEU 102 CO 0.01 0.25 -0.23 -0.36 -0.29 0.00 0.00 176.35 175.74 2o6t s PHE 103 N -0.18 2.01 0.01 5.38 0.40 0.09 -0.18 117.98 125.51 2o6t s PHE 103 Ca 0.13 -0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 55.75 2o6t s PHE 103 Cb -0.12 -1.07 -0.05 0.00 0.51 0.00 0.00 43.02 42.28 2o6t s PHE 103 CO 0.02 0.30 1.38 -0.51 0.70 0.00 0.00 175.22 177.11 2o6t s LEU 104 N -2.14 4.32 0.56 -0.37 1.43 -1.26 -0.88 118.68 120.33 2o6t s LEU 104 Ca 0.12 2.10 0.27 0.00 -1.03 0.00 0.00 54.13 55.59 2o6t s LEU 104 Cb -0.09 -3.56 1.47 0.00 0.03 0.00 0.00 46.19 44.04 2o6t s LEU 104 CO 0.06 -0.70 1.99 -0.08 0.23 0.00 0.00 176.35 177.85 2o6t h GLU 105 N 7.70 0.00 0.00 1.70 4.81 -1.41 0.38 114.58 127.77 2o6t h GLU 105 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2o6t h GLU 105 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2o6t h GLU 105 CO 0.90 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.59 2o6t n GLY 106 N -1.56 -0.91 2.16 1.92 0.00 -1.26 -4.96 105.19 100.58 2o6t n GLY 106 Ca 0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 2o6t n GLY 106 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2o6t n GLN 107 N -0.86 0.29 0.00 1.61 3.00 0.13 -5.09 117.38 116.47 2o6t n GLN 107 Ca 0.16 -2.24 0.00 0.00 -0.01 0.00 0.00 57.00 54.91 2o6t n GLN 107 Cb 0.07 1.81 0.00 0.00 0.00 0.00 0.00 30.24 32.12 2o6t n GLN 107 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2o6t n ARG 108 N -0.43 3.42 -2.76 -1.09 0.00 -1.26 -4.64 116.66 109.89 2o6t n ARG 108 Ca 0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.49 2o6t n ARG 108 Cb 0.41 -0.99 -0.05 0.00 -0.00 0.00 0.00 32.46 31.83 2o6t n ARG 108 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2o6t s GLU 109 N -1.98 4.72 0.34 2.89 4.04 -1.26 -3.32 118.70 124.13 2o6t s GLU 109 Ca 0.00 1.42 -0.27 0.00 0.04 0.00 0.00 54.97 56.16 2o6t s GLU 109 Cb 0.00 -3.35 -0.09 0.00 0.02 0.00 0.00 34.13 30.71 2o6t s GLU 109 CO 0.00 0.30 1.14 0.00 -1.84 0.00 0.00 175.26 174.86 2o6t s ALA 110 N -0.32 3.30 -0.12 -0.84 0.00 -1.21 -4.62 121.76 117.94 2o6t s ALA 110 Ca 0.45 0.94 0.20 0.00 0.00 0.00 0.00 51.96 53.54 2o6t s ALA 110 Cb -0.24 -3.35 -0.21 0.00 0.00 0.00 0.00 23.12 19.32 2o6t s ALA 110 CO 0.30 -0.34 0.59 0.00 0.00 0.00 0.00 175.76 176.31 2o6t s ALA 112 N -3.16 -1.74 -0.14 0.00 0.00 -1.24 -0.46 121.76 115.03 2o6t s ALA 112 Ca -0.06 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 2o6t s ALA 112 Cb 0.10 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.45 2o6t s ALA 112 CO 0.85 -0.46 0.36 0.00 0.00 0.00 0.00 175.76 176.51 2o6t s ALA 113 N -1.76 -0.90 0.00 0.00 0.00 -0.47 -0.98 121.76 117.65 2o6t s ALA 113 Ca -0.08 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2o6t s ALA 113 Cb -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2o6t s ALA 113 CO 0.05 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2o6t n GLY 114 N 3.00 3.48 3.32 0.00 0.00 -0.63 0.15 105.19 114.51 2o6t n GLY 114 Ca -0.14 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 2o6t n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o6t s ARG 115 N 1.87 0.73 0.09 1.61 0.52 -0.01 -1.27 118.95 122.49 2o6t s ARG 115 Ca 0.00 0.06 -0.10 0.00 -0.52 0.00 0.00 55.73 55.17 2o6t s ARG 115 Cb 0.00 0.33 0.01 0.00 0.52 0.00 0.00 34.95 35.81 2o6t s ARG 115 CO 0.00 -0.19 0.23 -0.59 0.02 0.00 0.00 175.30 174.77 2o6t s PHE 116 N -1.00 0.07 -0.18 -0.53 -0.12 -0.82 -0.74 117.98 114.66 2o6t s PHE 116 Ca -0.10 -0.45 -0.01 0.00 -0.05 0.00 0.00 56.93 56.32 2o6t s PHE 116 Cb -0.04 0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.36 2o6t s PHE 116 CO 0.05 -0.56 -0.13 0.08 -0.05 0.00 0.00 175.22 174.61 2o6t s VAL 117 N -3.70 2.77 -0.05 -2.49 1.01 -0.47 -0.61 120.40 116.85 2o6t s VAL 117 Ca 0.03 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 2o6t s VAL 117 Cb 0.04 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2o6t s VAL 117 CO -0.10 0.49 0.58 -1.00 0.00 0.00 0.00 175.10 175.07 2o6t s HIS 118 N 1.11 3.60 -0.11 5.22 3.76 -0.69 -1.24 115.29 126.95 2o6t s HIS 118 Ca 0.00 1.11 -0.01 0.00 -0.15 0.00 0.00 55.06 56.01 2o6t s HIS 118 Cb -0.14 -2.63 -0.03 0.00 1.11 0.00 0.00 32.58 30.88 2o6t s HIS 118 CO -0.04 0.24 -0.05 0.08 -0.85 0.00 0.00 174.74 174.11 2o6t s VAL 119 N 0.29 3.80 -0.09 -0.90 1.01 0.23 -1.04 120.40 123.70 2o6t s VAL 119 Ca 0.31 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 2o6t s VAL 119 Cb -0.17 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2o6t s VAL 119 CO 0.15 0.55 0.23 -0.36 0.00 0.00 0.00 175.10 175.67 2o6t s PHE 120 N -0.29 3.63 0.02 5.22 0.40 -0.45 0.45 117.98 126.97 2o6t s PHE 120 Ca 0.04 0.67 -0.04 0.00 -0.60 0.00 0.00 56.93 57.00 2o6t s PHE 120 Cb -0.13 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.33 2o6t s PHE 120 CO 0.02 0.68 0.07 0.14 0.70 0.00 0.00 175.22 176.84 2o6t s VAL 121 N -0.96 0.12 0.13 -0.44 -7.23 0.01 -1.80 120.40 110.23 2o6t s VAL 121 Ca 0.18 -0.97 -0.31 0.00 -1.81 0.00 0.00 61.98 59.06 2o6t s VAL 121 Cb -0.13 -0.64 -0.10 0.00 0.56 0.00 0.00 36.38 36.06 2o6t s VAL 121 CO 0.07 -0.54 1.72 -0.70 -0.31 0.00 0.00 175.10 175.34 2o6t s GLU 122 N -2.05 4.17 0.24 4.82 2.56 -0.06 -1.39 118.70 126.98 2o6t s GLU 122 Ca -0.10 2.48 -0.04 0.00 0.00 0.00 0.00 54.97 57.32 2o6t s GLU 122 Cb -0.05 -3.42 0.42 0.00 2.00 0.00 0.00 34.13 33.08 2o6t s GLU 122 CO -0.02 -0.75 1.79 -0.09 -0.56 0.00 0.00 175.26 175.62 2o6t h ARG 123 N 7.87 0.68 0.07 4.30 2.43 -1.00 0.48 114.38 129.22 2o6t h ARG 123 Ca -0.44 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.42 2o6t h ARG 123 Cb 1.21 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.62 2o6t h ARG 123 CO 0.94 0.45 -1.13 0.00 -1.51 0.00 0.00 179.97 178.73 2o6t h ARG 124 N 0.70 0.47 0.03 0.20 3.08 -1.91 -3.37 114.38 113.59 2o6t h ARG 124 Ca 0.40 -0.61 -0.38 0.00 0.07 0.00 0.00 59.98 59.46 2o6t h ARG 124 Cb 0.44 0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.63 2o6t h ARG 124 CO -0.28 1.24 -2.35 -1.13 -1.07 0.00 0.00 179.97 176.38 2o6t n SER 125 N -3.72 2.02 0.00 7.04 3.41 -1.20 -5.02 113.62 116.15 2o6t n SER 125 Ca -0.10 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2o6t n SER 125 Cb 0.93 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2o6t n SER 125 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2o6t n SER 126 N -3.32 -2.92 -4.68 4.04 7.64 0.17 -5.00 113.62 109.54 2o6t n SER 126 Ca -0.42 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.03 2o6t n SER 126 Cb 1.01 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2o6t n SER 126 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2o6t s ARG 127 N -0.96 4.27 0.01 1.43 3.00 -1.26 -4.75 118.95 120.69 2o6t s ARG 127 Ca 0.00 1.91 -0.37 0.00 0.00 0.00 0.00 55.73 57.26 2o6t s ARG 127 Cb 0.00 -3.66 -0.19 0.00 0.00 0.00 0.00 34.95 31.10 2o6t s ARG 127 CO 0.00 -0.62 0.98 -2.30 0.00 0.00 0.00 175.30 173.36 2o6t n PRO 128 N 5.81 0.00 -4.54 3.54 -0.02 -1.26 -0.88 135.00 137.65 2o6t n PRO 128 Ca 0.14 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.36 2o6t n PRO 128 Cb 0.44 -1.39 -0.11 0.00 -0.02 0.00 0.00 33.50 32.43 2o6t n PRO 128 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2o6t s VAL 129 N -0.06 2.00 0.54 -1.45 -7.23 -0.74 -4.80 120.40 108.67 2o6t s VAL 129 Ca 0.84 -2.13 -0.20 0.00 -1.81 0.00 0.00 61.98 58.68 2o6t s VAL 129 Cb -1.18 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.00 2o6t s VAL 129 CO 0.54 -0.16 1.18 0.00 -0.31 0.00 0.00 175.10 176.35 2o6t s ALA 130 N -2.75 2.71 0.13 1.32 0.00 -1.26 -4.52 121.76 117.38 2o6t s ALA 130 Ca 0.33 0.94 -0.31 0.00 0.00 0.00 0.00 51.96 52.92 2o6t s ALA 130 Cb 0.05 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 2o6t s ALA 130 CO 0.16 -0.92 1.85 0.42 0.00 0.00 0.00 175.76 177.27 2o6t s ILE 131 N -1.63 2.49 0.72 0.00 1.01 -0.03 -4.95 121.20 118.81 2o6t s ILE 131 Ca 0.73 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 61.22 2o6t s ILE 131 Cb -0.28 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 2o6t s ILE 131 CO 0.32 -0.00 0.86 -2.65 0.00 0.00 0.00 174.94 173.47 2o6t n PRO 132 N 5.73 0.45 -0.17 2.79 -0.02 -1.26 -4.72 135.00 137.80 2o6t n PRO 132 Ca 0.18 0.20 -0.11 0.00 -2.02 0.00 0.00 63.50 61.76 2o6t n PRO 132 Cb 0.38 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2o6t n PRO 132 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2o6t h GLN 133 N -0.29 0.96 -0.55 -0.52 5.75 -1.97 -1.09 115.11 117.39 2o6t h GLN 133 Ca -0.47 -0.36 0.05 0.00 -0.15 0.00 0.00 58.65 57.72 2o6t h GLN 133 Cb 1.34 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.78 2o6t h GLN 133 CO 0.46 1.03 0.27 1.49 -2.65 0.00 0.00 178.83 179.43 2o6t h GLU 134 N 0.82 0.51 -0.44 1.69 4.81 -1.91 0.12 114.58 120.17 2o6t h GLU 134 Ca 0.13 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 2o6t h GLU 134 Cb 0.67 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2o6t h GLU 134 CO 0.05 0.34 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.40 2o6t h LEU 135 N 0.52 0.94 -0.69 1.64 3.38 -1.43 -2.63 115.31 117.04 2o6t h LEU 135 Ca 0.25 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2o6t h LEU 135 Cb 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2o6t h LEU 135 CO -0.18 1.12 0.23 -0.09 0.09 0.00 0.00 178.44 179.61 2o6t h ARG 136 N 0.75 1.06 -0.93 1.13 2.43 -0.51 0.33 114.38 118.64 2o6t h ARG 136 Ca 0.10 -0.22 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2o6t h ARG 136 Cb 0.76 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 2o6t h ARG 136 CO 0.06 0.91 0.60 -0.44 -1.51 0.00 0.00 179.97 179.59 2o6t h ASP 137 N 1.01 1.00 -0.31 -3.80 3.32 -0.66 0.19 116.42 117.16 2o6t h ASP 137 Ca 0.23 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 2o6t h ASP 137 Cb 0.28 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2o6t h ASP 137 CO -0.01 0.67 -0.38 0.00 -1.72 0.00 0.00 179.24 177.81 2o6t h ALA 138 N 1.39 0.65 -0.34 3.45 0.00 -1.06 -2.86 119.26 120.49 2o6t h ALA 138 Ca 0.38 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2o6t h ALA 138 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2o6t h ALA 138 CO -0.13 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.70 2o6t h LEU 139 N 0.71 0.51 -0.89 0.00 3.38 -0.41 -3.03 115.31 115.57 2o6t h LEU 139 Ca 0.06 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2o6t h LEU 139 Cb 0.95 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2o6t h LEU 139 CO 0.09 0.59 -0.54 0.00 0.09 0.00 0.00 178.44 178.67 2o6t h ALA 140 N 1.47 1.08 0.00 1.53 0.00 -0.42 -1.85 119.26 121.07 2o6t h ALA 140 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2o6t h ALA 140 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2o6t h ALA 140 CO 0.01 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.94 2o6t n ALA 141 N -2.44 1.70 0.98 0.00 0.00 -1.10 -2.24 120.51 117.40 2o6t n ALA 141 Ca -0.01 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2o6t n ALA 141 Cb 0.55 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.69 2o6t n ALA 141 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2o6t n LEU 142 N -1.89 2.18 -4.70 0.00 4.77 -0.70 -4.93 117.00 111.73 2o6t n LEU 142 Ca 0.03 -0.80 -0.42 0.00 -0.03 0.00 0.00 56.01 54.78 2o6t n LEU 142 Cb 0.21 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2o6t n LEU 142 CO 0.17 0.40 1.10 -1.10 -1.33 0.00 0.00 177.39 176.63 2o6t s GLN 143 N -2.35 4.30 -0.66 3.23 -0.21 -0.95 -1.86 119.66 121.16 2o6t s GLN 143 Ca 0.20 2.01 -0.28 0.00 0.02 0.00 0.00 55.36 57.31 2o6t s GLN 143 Cb 0.18 -3.46 -0.12 0.00 1.00 0.00 0.00 33.01 30.61 2o6t s GLN 143 CO 0.51 -0.52 2.51 -1.13 -2.12 0.00 0.00 175.29 174.54 2o6t n SER 144 N 4.84 1.62 0.00 5.90 3.41 -1.25 -4.96 113.62 123.18 2o6t n SER 144 Ca 0.12 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2o6t n SER 144 Cb 0.43 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2o6t n SER 144 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34