#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bow n GLY 3 N 0.00 1.54 3.36 -0.72 0.00 -0.99 -5.02 105.19 103.36 2bow n GLY 3 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2bow n GLY 3 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bow s GLU 4 N -0.08 1.64 0.08 1.61 0.41 -1.26 -4.95 118.70 116.14 2bow s GLU 4 Ca 0.00 -1.95 -0.10 0.00 -0.41 0.00 0.00 54.97 52.52 2bow s GLU 4 Cb 0.00 -0.20 -0.06 0.00 -1.78 0.00 0.00 34.13 32.09 2bow s GLU 4 CO 0.00 -0.44 0.40 0.08 -0.49 0.00 0.00 175.26 174.81 2bow s VAL 5 N -3.54 5.09 0.31 2.63 1.01 -1.26 -3.93 120.40 120.72 2bow s VAL 5 Ca 0.34 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.81 2bow s VAL 5 Cb 0.05 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2bow s VAL 5 CO 0.17 0.29 0.17 0.72 0.00 0.00 0.00 175.10 176.45 2bow s PHE 6 N -1.39 1.62 -0.06 5.22 -0.71 0.20 -4.94 117.98 117.92 2bow s PHE 6 Ca 0.33 -1.40 -0.01 0.00 -1.04 0.00 0.00 56.93 54.82 2bow s PHE 6 Cb -0.14 -0.86 0.03 0.00 -1.21 0.00 0.00 43.02 40.84 2bow s PHE 6 CO 0.18 -0.55 -0.01 0.08 -1.34 0.00 0.00 175.22 173.59 2bow s VAL 7 N -3.57 0.37 0.10 -2.49 1.01 -1.26 0.66 120.40 115.22 2bow s VAL 7 Ca 0.35 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 2bow s VAL 7 Cb 0.05 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.95 2bow s VAL 7 CO 0.18 0.23 0.26 -1.48 0.00 0.00 0.00 175.10 174.30 2bow s LEU 8 N 1.58 1.06 -0.77 3.92 -0.00 -1.13 -5.01 118.68 118.33 2bow s LEU 8 Ca -0.01 -0.51 -0.20 0.00 -0.00 0.00 0.00 54.13 53.40 2bow s LEU 8 Cb -0.13 1.31 0.10 0.00 -0.00 0.00 0.00 46.19 47.48 2bow s LEU 8 CO -0.03 -0.76 1.00 -1.81 -0.00 0.00 0.00 176.35 174.75 2bow s ASP 9 N -2.78 6.38 0.57 1.48 1.01 -1.26 -2.25 116.67 119.82 2bow s ASP 9 Ca 0.03 -1.53 -0.05 0.00 0.71 0.00 0.00 52.55 51.71 2bow s ASP 9 Cb 0.03 -2.39 0.01 0.00 1.01 0.00 0.00 42.92 41.58 2bow s ASP 9 CO -0.11 -1.22 0.88 -1.61 0.21 0.00 0.00 175.17 173.31 2bow s GLU 10 N 3.24 2.95 0.75 8.23 2.02 0.17 -4.89 118.70 131.17 2bow s GLU 10 Ca 0.25 -0.04 -0.07 0.00 0.02 0.00 0.00 54.97 55.13 2bow s GLU 10 Cb -0.12 -2.30 0.10 0.00 0.10 0.00 0.00 34.13 31.90 2bow s GLU 10 CO 0.01 -0.65 1.06 -1.21 0.02 0.00 0.00 175.26 174.49 2bow s GLU 11 N -4.94 1.83 0.80 1.61 8.01 -1.26 -1.94 118.70 122.81 2bow s GLU 11 Ca 0.53 -0.45 -0.12 0.00 0.01 0.00 0.00 54.97 54.95 2bow s GLU 11 Cb -0.10 -2.15 0.07 0.00 -4.31 0.00 0.00 34.13 27.64 2bow s GLU 11 CO 0.44 -1.48 1.15 -2.00 0.01 0.00 0.00 175.26 173.39 2bow s GLU 12 N -5.33 2.02 -0.25 1.61 2.12 -1.26 -4.36 118.70 113.25 2bow s GLU 12 Ca 0.64 0.24 -0.03 0.00 0.36 0.00 0.00 54.97 56.18 2bow s GLU 12 Cb -0.09 -1.95 0.14 0.00 0.26 0.00 0.00 34.13 32.50 2bow s GLU 12 CO 0.46 -1.58 0.43 0.42 -0.54 0.00 0.00 175.26 174.45 2bow s ILE 13 N -3.47 -0.69 0.48 -3.70 1.01 -0.86 -4.90 121.20 109.07 2bow s ILE 13 Ca 0.61 -0.04 -0.22 0.00 0.00 0.00 0.00 60.65 61.00 2bow s ILE 13 Cb -0.12 -0.85 -0.07 0.00 0.01 0.00 0.00 42.46 41.43 2bow s ILE 13 CO 0.50 -0.09 1.14 -0.60 0.00 0.00 0.00 174.94 175.90 2bow s ARG 14 N 2.62 3.69 0.17 2.79 3.52 -1.26 0.51 118.95 130.99 2bow s ARG 14 Ca 0.14 1.69 -0.23 0.00 -0.13 0.00 0.00 55.73 57.20 2bow s ARG 14 Cb -0.15 -2.30 0.07 0.00 -1.56 0.00 0.00 34.95 31.01 2bow s ARG 14 CO -0.17 -0.59 0.60 0.96 -0.81 0.00 0.00 175.30 175.29 2bow s ILE 15 N -1.64 0.00 -0.02 4.11 -0.00 0.16 -2.88 121.20 120.93 2bow s ILE 15 Ca 0.66 -0.09 0.08 0.00 -0.00 0.00 0.00 60.65 61.29 2bow s ILE 15 Cb -0.26 -1.07 -0.02 0.00 -0.00 0.00 0.00 42.46 41.11 2bow s ILE 15 CO 0.31 -0.01 -0.25 0.27 -0.00 0.00 0.00 174.94 175.26 2bow s ILE 16 N -3.76 2.14 0.22 8.37 -5.25 0.16 -0.69 121.20 122.38 2bow s ILE 16 Ca 0.02 -1.08 0.01 0.00 -0.99 0.00 0.00 60.65 58.60 2bow s ILE 16 Cb -0.01 -1.75 -0.05 0.00 2.95 0.00 0.00 42.46 43.60 2bow s ILE 16 CO -0.12 0.58 0.07 0.00 -1.79 0.00 0.00 174.94 173.68 2bow s GLN 17 N -0.64 1.27 0.24 0.37 -2.07 -0.97 -2.22 119.66 115.64 2bow s GLN 17 Ca 0.10 -1.66 -0.00 0.00 -1.82 0.00 0.00 55.36 51.98 2bow s GLN 17 Cb -0.10 -0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 31.62 2bow s GLN 17 CO -0.01 -0.26 0.22 0.95 -1.32 0.00 0.00 175.29 174.87 2bow s THR 18 N -3.80 0.00 0.84 3.63 -4.23 -1.10 -0.76 115.64 110.22 2bow s THR 18 Ca 0.33 -1.91 -0.13 0.00 -1.18 0.00 0.00 61.69 58.80 2bow s THR 18 Cb 0.07 -2.48 0.10 0.00 1.34 0.00 0.00 72.50 71.54 2bow s THR 18 CO 0.10 0.00 1.21 -1.61 -0.54 0.00 0.00 174.62 173.78 2bow s GLU 19 N -3.92 1.69 0.02 3.99 0.41 -1.26 -2.07 118.70 117.56 2bow s GLU 19 Ca 0.37 0.01 0.23 0.00 -0.41 0.00 0.00 54.97 55.18 2bow s GLU 19 Cb 0.05 -1.93 0.17 0.00 -1.78 0.00 0.00 34.13 30.64 2bow s GLU 19 CO 0.16 -1.77 1.16 0.00 -0.49 0.00 0.00 175.26 174.32 2bow n ALA 20 N -3.42 3.80 -0.74 5.21 0.00 -0.99 -4.39 120.51 119.99 2bow n ALA 20 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2bow n ALA 20 Cb 0.61 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2bow n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2bow n GLU 21 N -1.66 -0.71 -0.30 0.00 1.02 -1.26 -0.94 120.64 116.79 2bow n GLU 21 Ca 0.04 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2bow n GLU 21 Cb 0.37 -4.47 0.00 0.00 -0.02 0.00 0.00 31.44 27.32 2bow n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bow n GLY 22 N -0.98 0.82 3.75 0.62 0.00 -1.26 -5.05 105.19 103.09 2bow n GLY 22 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2bow n GLY 22 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2bow s ILE 23 N -2.69 2.28 0.40 -0.61 1.10 -0.12 -4.75 121.20 116.80 2bow s ILE 23 Ca 0.00 0.20 0.08 0.00 -0.51 0.00 0.00 60.65 60.42 2bow s ILE 23 Cb 0.00 -3.10 -0.07 0.00 0.15 0.00 0.00 42.46 39.44 2bow s ILE 23 CO 0.00 -0.01 0.02 -0.83 -2.11 0.00 0.00 174.94 172.01 2bow s GLY 24 N -1.10 2.41 0.21 1.50 0.00 -1.26 -2.63 107.32 106.45 2bow s GLY 24 Ca 0.72 -2.22 -0.09 0.00 0.00 0.00 0.00 44.72 43.13 2bow s GLY 24 CO 0.44 -2.05 1.73 -2.55 0.00 0.00 0.00 173.10 170.68 2bow h PRO 25 N 1.76 0.38 0.16 2.90 0.11 -1.82 -0.63 132.00 134.86 2bow h PRO 25 Ca -0.43 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.67 2bow h PRO 25 Cb 1.24 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2bow h PRO 25 CO 0.77 0.25 -0.30 1.49 -0.21 0.00 0.00 178.00 180.00 2bow h GLU 26 N 0.39 -0.53 -1.17 1.05 4.81 -1.87 -0.14 114.58 117.13 2bow h GLU 26 Ca 0.33 0.04 0.39 0.00 -0.13 0.00 0.00 59.36 59.98 2bow h GLU 26 Cb 0.44 0.12 -0.14 0.00 0.63 0.00 0.00 28.75 29.80 2bow h GLU 26 CO -0.34 -0.35 0.72 -0.91 -0.73 0.00 0.00 179.01 177.40 2bow h ASN 27 N -0.55 0.34 1.53 1.04 4.21 -1.49 0.45 115.58 121.12 2bow h ASN 27 Ca 0.02 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.69 2bow h ASN 27 Cb 0.56 0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 2bow h ASN 27 CO -0.15 -0.18 0.00 0.58 -1.29 0.00 0.00 177.43 176.39 2bow h VAL 28 N 0.16 0.00 -0.02 2.81 2.07 -0.19 -3.29 116.25 117.80 2bow h VAL 28 Ca 0.78 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.75 2bow h VAL 28 Cb 2.19 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 2bow h VAL 28 CO -0.50 0.00 -0.16 0.18 0.02 0.00 0.00 177.57 177.11 2bow n LEU 29 N -2.40 1.76 0.00 2.57 7.99 0.16 -4.98 117.00 122.09 2bow n LEU 29 Ca 0.05 -0.58 -0.17 0.00 -0.01 0.00 0.00 56.01 55.31 2bow n LEU 29 Cb 0.44 -0.04 -0.04 0.00 -0.11 0.00 0.00 43.42 43.68 2bow n LEU 29 CO 0.31 0.31 -0.12 0.59 -1.51 0.00 0.00 177.39 176.96 2bow n ASN 30 N 0.14 2.40 -1.03 -1.43 3.02 -1.18 -5.11 115.26 112.06 2bow n ASN 30 Ca 0.14 -2.20 0.13 0.00 -0.03 0.00 0.00 54.58 52.63 2bow n ASN 30 Cb 0.42 0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 39.82 2bow n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bow n ALA 31 N -2.09 -2.68 -3.01 5.41 0.00 -1.26 -4.84 120.51 112.03 2bow n ALA 31 Ca -0.11 0.46 -0.24 0.00 0.00 0.00 0.00 53.44 53.55 2bow n ALA 31 Cb 0.35 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 2bow n ALA 31 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2bow n SER 32 N -3.68 3.38 0.00 0.00 7.64 -1.26 -5.17 113.62 114.53 2bow n SER 32 Ca -0.02 -3.48 0.00 0.00 1.01 0.00 0.00 58.87 56.38 2bow n SER 32 Cb 0.48 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2bow n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bow n TYR 33 N -0.09 0.00 -2.07 1.43 4.11 -1.26 -5.35 117.16 113.94 2bow n TYR 33 Ca 0.29 0.00 -0.38 0.00 -0.00 0.00 0.00 57.90 57.81 2bow n TYR 33 Cb 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.82 2bow n TYR 33 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 2bow s SER 50 N 1.00 5.95 0.00 9.48 1.04 -1.26 -5.29 113.70 124.62 2bow s SER 50 Ca 0.00 2.53 0.00 0.00 0.48 0.00 0.00 55.95 58.96 2bow s SER 50 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2bow s SER 50 CO 0.00 -1.08 0.00 0.00 0.98 0.00 0.00 173.24 173.14 2bow n TYR 51 N -0.47 -0.39 -2.51 5.02 4.11 -1.07 -4.56 117.16 117.29 2bow n TYR 51 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.97 2bow n TYR 51 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.80 2bow n TYR 51 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2bow n GLY 52 N 0.00 1.55 3.61 -7.48 0.00 0.15 -2.19 105.19 100.82 2bow n GLY 52 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.43 2bow n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bow s ALA 53 N -1.00 -2.25 0.07 4.61 0.00 -0.60 -2.16 121.76 120.43 2bow s ALA 53 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2bow s ALA 53 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2bow s ALA 53 CO 0.00 -0.96 -0.05 0.95 0.00 0.00 0.00 175.76 175.70 2bow s THR 54 N -2.34 0.44 0.21 0.00 -4.23 -0.30 -1.42 115.64 108.00 2bow s THR 54 Ca 0.13 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 58.67 2bow s THR 54 Cb 0.04 -1.50 0.03 0.00 1.34 0.00 0.00 72.50 72.41 2bow s THR 54 CO -0.04 -0.90 0.54 0.72 -0.54 0.00 0.00 174.62 174.40 2bow s PHE 55 N -3.58 -0.09 0.19 3.99 -0.71 -1.02 -0.12 117.98 116.64 2bow s PHE 55 Ca 0.07 -0.26 -0.31 0.00 -1.04 0.00 0.00 56.93 55.39 2bow s PHE 55 Cb 0.05 0.42 -0.10 0.00 -1.21 0.00 0.00 43.02 42.18 2bow s PHE 55 CO -0.07 -0.96 1.52 0.45 -1.34 0.00 0.00 175.22 174.82 2bow s SER 56 N -2.89 6.61 -1.21 1.98 0.15 -1.26 0.07 113.70 117.16 2bow s SER 56 Ca 0.10 2.62 -0.20 0.00 0.70 0.00 0.00 55.95 59.17 2bow s SER 56 Cb -0.02 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2bow s SER 56 CO -0.01 -0.78 1.88 0.33 1.20 0.00 0.00 173.24 175.86 2bow n PHE 57 N 3.47 3.41 -3.95 3.44 7.35 -1.26 -4.80 117.46 125.11 2bow n PHE 57 Ca 0.12 -2.10 -0.22 0.00 -0.76 0.00 0.00 57.45 54.49 2bow n PHE 57 Cb 0.39 -2.53 -0.02 0.00 0.35 0.00 0.00 39.48 37.67 2bow n PHE 57 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2bow s GLN 58 N 5.28 3.44 0.00 -4.13 1.11 -1.26 -4.95 119.66 119.15 2bow s GLN 58 Ca 0.61 -0.73 0.00 0.00 0.01 0.00 0.00 55.36 55.25 2bow s GLN 58 Cb 0.04 -2.89 0.00 0.00 -1.01 0.00 0.00 33.01 29.15 2bow s GLN 58 CO 0.10 0.43 1.05 -0.35 0.01 0.00 0.00 175.29 176.53 2bow n PRO 59 N -1.32 0.61 -0.06 2.91 -0.04 -1.26 -4.93 135.00 130.90 2bow n PRO 59 Ca -0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2bow n PRO 59 Cb 0.57 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 2bow n PRO 59 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bow n TYR 60 N 1.43 -0.26 -3.15 0.54 4.01 -1.26 -5.06 117.16 113.41 2bow n TYR 60 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 2bow n TYR 60 Cb 0.30 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2bow n TYR 60 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2bow s THR 61 N -0.11 -0.34 0.00 -0.72 2.01 -1.26 -5.09 115.64 110.12 2bow s THR 61 Ca 0.02 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.02 2bow s THR 61 Cb -0.01 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 72.03 2bow s THR 61 CO 0.04 0.00 0.00 -1.20 -0.69 0.00 0.00 174.62 172.77 2bow n SER 62 N 5.20 0.00 -0.04 3.53 7.64 -1.26 -4.50 113.62 124.20 2bow n SER 62 Ca 0.06 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.08 2bow n SER 62 Cb 0.57 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 64.36 2bow n SER 62 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2bow n ILE 63 N 2.47 0.00 0.24 0.44 5.41 -1.26 -1.41 119.36 125.25 2bow n ILE 63 Ca 0.00 -0.02 0.12 0.00 1.00 0.00 0.00 62.75 63.85 2bow n ILE 63 Cb 0.00 -0.26 0.20 0.00 -0.71 0.00 0.00 39.64 38.87 2bow n ILE 63 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2bow h ASP 64 N 0.18 0.00 0.03 4.38 5.19 -2.02 -3.25 116.42 120.94 2bow h ASP 64 Ca 0.00 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 2bow h ASP 64 Cb 0.41 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.86 2bow h ASP 64 CO 0.00 0.00 -2.36 1.21 -3.12 0.00 0.00 179.24 174.97 2bow n GLU 65 N -3.07 0.68 -1.93 3.56 2.13 -0.50 -4.94 120.64 116.58 2bow n GLU 65 Ca 0.04 0.17 -0.41 0.00 0.66 0.00 0.00 57.16 57.62 2bow n GLU 65 Cb 0.52 -1.57 -0.02 0.00 0.27 0.00 0.00 31.44 30.64 2bow n GLU 65 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2bow s MET 66 N -2.53 4.21 -0.13 5.31 -1.94 -0.79 -5.01 119.30 118.42 2bow s MET 66 Ca -0.31 2.41 -0.05 0.00 -1.71 0.00 0.00 55.69 56.03 2bow s MET 66 Cb 0.08 -3.05 0.06 0.00 2.01 0.00 0.00 34.83 33.94 2bow s MET 66 CO 0.65 -0.46 0.26 -0.08 -0.01 0.00 0.00 175.02 175.39 2bow s THR 67 N -0.44 -0.40 0.71 2.05 -1.32 -1.26 -4.29 115.64 110.68 2bow s THR 67 Ca 0.57 0.27 -0.16 0.00 -1.21 0.00 0.00 61.69 61.16 2bow s THR 67 Cb -0.44 -0.44 -0.02 0.00 -1.51 0.00 0.00 72.50 70.09 2bow s THR 67 CO 0.50 0.11 0.75 -1.22 -2.21 0.00 0.00 174.62 172.56 2bow n TYR 68 N 5.29 -0.04 -0.05 9.09 4.01 -1.08 -4.75 117.16 129.64 2bow n TYR 68 Ca -0.07 0.38 -0.08 0.00 -0.16 0.00 0.00 57.90 57.97 2bow n TYR 68 Cb 0.50 -2.00 -0.04 0.00 -0.31 0.00 0.00 39.34 37.49 2bow n TYR 68 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2bow n ARG 69 N -1.24 0.21 -3.95 -0.72 0.63 0.83 -4.49 116.66 107.93 2bow n ARG 69 Ca 0.12 0.07 -0.10 0.00 -0.92 0.00 0.00 57.85 57.02 2bow n ARG 69 Cb 0.49 -1.01 -0.11 0.00 0.45 0.00 0.00 32.46 32.27 2bow n ARG 69 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2bow s HIS 70 N -2.17 0.19 -0.04 -0.14 3.76 -1.22 -2.35 115.29 113.31 2bow s HIS 70 Ca -0.12 -0.39 0.06 0.00 -0.15 0.00 0.00 55.06 54.46 2bow s HIS 70 Cb 0.04 -0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.57 2bow s HIS 70 CO 0.18 -0.16 -0.24 0.42 -0.85 0.00 0.00 174.74 174.09 2bow s ILE 71 N -1.16 2.17 0.19 0.60 -1.09 -0.88 -1.14 121.20 119.89 2bow s ILE 71 Ca -0.13 -1.04 -0.03 0.00 -2.23 0.00 0.00 60.65 57.22 2bow s ILE 71 Cb -0.08 -1.78 -0.03 0.00 -1.58 0.00 0.00 42.46 38.99 2bow s ILE 71 CO -0.01 0.57 0.17 0.72 -1.23 0.00 0.00 174.94 175.17 2bow s PHE 72 N -0.38 0.96 0.01 3.97 -0.12 -0.92 -2.72 117.98 118.79 2bow s PHE 72 Ca 0.03 -1.24 -0.01 0.00 -0.05 0.00 0.00 56.93 55.66 2bow s PHE 72 Cb -0.12 -0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 41.84 2bow s PHE 72 CO 0.02 -0.67 0.02 -0.08 -0.05 0.00 0.00 175.22 174.45 2bow s THR 73 N -4.11 0.07 0.39 -4.49 -1.32 -0.94 0.30 115.64 105.53 2bow s THR 73 Ca 0.33 -0.59 0.01 0.00 -1.21 0.00 0.00 61.69 60.24 2bow s THR 73 Cb 0.06 -0.22 -0.02 0.00 -1.51 0.00 0.00 72.50 70.81 2bow s THR 73 CO 0.09 -0.32 0.59 -2.16 -2.21 0.00 0.00 174.62 170.61 2bow s PRO 74 N -0.98 3.26 -0.12 7.08 0.05 -1.26 0.38 135.00 143.41 2bow s PRO 74 Ca -0.11 -0.47 -0.04 0.00 0.05 0.00 0.00 61.00 60.43 2bow s PRO 74 Cb -0.07 -2.63 -0.04 0.00 0.05 0.00 0.00 34.50 31.81 2bow s PRO 74 CO -0.00 -0.04 0.03 0.14 0.05 0.00 0.00 177.00 177.18 2bow s VAL 75 N -2.40 4.54 -0.54 -0.36 -7.23 -1.14 -4.81 120.40 108.46 2bow s VAL 75 Ca 0.44 -0.15 0.05 0.00 -1.81 0.00 0.00 61.98 60.51 2bow s VAL 75 Cb -0.10 -2.96 0.18 0.00 0.56 0.00 0.00 36.38 34.06 2bow s VAL 75 CO 0.36 0.57 0.43 0.00 -0.31 0.00 0.00 175.10 176.14 2bow n LEU 76 N 2.56 1.12 0.00 1.32 -0.00 -1.26 -4.91 117.00 115.83 2bow n LEU 76 Ca -0.18 -4.77 0.00 0.00 -0.00 0.00 0.00 56.01 51.06 2bow n LEU 76 Cb 0.53 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2bow n LEU 76 CO 0.31 1.83 0.00 1.07 -0.00 0.00 0.00 177.39 180.60 2bow n THR 77 N 2.34 0.00 0.00 1.47 5.66 -1.26 -5.26 114.28 117.23 2bow n THR 77 Ca 0.26 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.26 2bow n THR 77 Cb 0.43 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 2bow n THR 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bow n ILE 81 N 7.33 0.00 -3.84 1.09 3.06 -1.26 -5.24 119.36 120.51 2bow n ILE 81 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2bow n ILE 81 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 2bow n ILE 81 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2bow n SER 82 N 0.00 0.00 0.00 9.51 7.64 -1.26 -5.11 113.62 124.40 2bow n SER 82 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2bow n SER 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2bow n SER 82 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2bow n SER 83 N 0.24 0.00 -4.64 6.43 3.41 -1.26 -5.12 113.62 112.68 2bow n SER 83 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 2bow n SER 83 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2bow n SER 83 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2bow n ILE 84 N 0.00 0.00 -3.14 -1.33 -0.00 -1.26 -5.15 119.36 108.48 2bow n ILE 84 Ca 0.00 -2.03 -0.09 0.00 -0.00 0.00 0.00 62.75 60.62 2bow n ILE 84 Cb 0.00 -0.05 0.02 0.00 -0.00 0.00 0.00 39.64 39.61 2bow n ILE 84 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2bow n THR 85 N -1.69 0.00 1.22 7.28 -2.24 -1.26 -5.04 114.28 112.55 2bow n THR 85 Ca -0.02 -0.89 0.13 0.00 -2.27 0.00 0.00 64.05 61.00 2bow n THR 85 Cb 0.58 -0.69 0.28 0.00 -2.10 0.00 0.00 70.33 68.41 2bow n THR 85 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2bow n PRO 86 N -1.48 1.71 0.00 -0.78 -0.04 -1.26 -3.52 135.00 129.64 2bow n PRO 86 Ca 0.06 -1.23 0.14 0.00 -0.04 0.00 0.00 63.50 62.42 2bow n PRO 86 Cb 0.27 -1.47 0.51 0.00 -0.04 0.00 0.00 33.50 32.76 2bow n PRO 86 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2bow n ASP 87 N 0.43 1.17 -4.24 3.54 5.68 -1.26 -4.83 116.55 117.04 2bow n ASP 87 Ca 0.15 -1.19 -0.24 0.00 -0.50 0.00 0.00 54.79 53.00 2bow n ASP 87 Cb 0.45 0.04 -0.14 0.00 -1.14 0.00 0.00 41.12 40.34 2bow n ASP 87 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 2bow s MET 88 N -2.20 1.25 -0.15 0.11 -1.94 -1.23 -4.49 119.30 110.64 2bow s MET 88 Ca 0.33 -0.98 0.02 0.00 -1.71 0.00 0.00 55.69 53.35 2bow s MET 88 Cb 0.20 -1.39 0.02 0.00 2.01 0.00 0.00 34.83 35.67 2bow s MET 88 CO 0.41 0.34 -0.20 -2.00 -0.01 0.00 0.00 175.02 173.56 2bow s GLU 89 N -1.38 2.87 0.06 2.03 2.12 0.06 -4.74 118.70 119.72 2bow s GLU 89 Ca 0.06 -0.79 -0.31 0.00 0.36 0.00 0.00 54.97 54.30 2bow s GLU 89 Cb -0.09 -2.40 -0.06 0.00 0.26 0.00 0.00 34.13 31.84 2bow s GLU 89 CO 0.02 -0.11 1.21 0.42 -0.54 0.00 0.00 175.26 176.26 2bow s ILE 90 N 1.07 4.01 0.00 -3.70 1.01 -1.26 -2.30 121.20 120.03 2bow s ILE 90 Ca -0.01 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.07 2bow s ILE 90 Cb -0.14 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.41 2bow s ILE 90 CO -0.07 0.11 0.00 1.07 0.00 0.00 0.00 174.94 176.05 2bow n THR 91 N 3.94 0.00 -3.83 2.92 5.66 0.13 -5.00 114.28 118.10 2bow n THR 91 Ca 0.09 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.02 2bow n THR 91 Cb 0.46 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.26 2bow n THR 91 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2bow s THR 92 N -2.97 0.00 -0.44 1.09 -4.23 -1.26 0.39 115.64 108.23 2bow s THR 92 Ca 0.00 -0.89 -0.11 0.00 -1.18 0.00 0.00 61.69 59.51 2bow s THR 92 Cb 0.00 -2.84 0.08 0.00 1.34 0.00 0.00 72.50 71.08 2bow s THR 92 CO 0.00 0.00 0.31 -0.63 -0.54 0.00 0.00 174.62 173.76 2bow s ILE 93 N -2.34 4.49 0.33 2.99 1.09 0.18 -4.87 121.20 123.06 2bow s ILE 93 Ca 0.17 -1.37 -0.24 0.00 -1.10 0.00 0.00 60.65 58.11 2bow s ILE 93 Cb -0.04 -3.75 -0.16 0.00 -1.06 0.00 0.00 42.46 37.44 2bow s ILE 93 CO 0.10 -0.56 0.32 -2.65 -0.10 0.00 0.00 174.94 172.05 2bow n PRO 94 N 4.99 0.11 -1.90 2.79 -0.02 -1.26 -2.03 135.00 137.68 2bow n PRO 94 Ca -0.10 0.04 -0.33 0.00 -2.02 0.00 0.00 63.50 61.09 2bow n PRO 94 Cb 0.43 -1.09 0.03 0.00 -0.02 0.00 0.00 33.50 32.85 2bow n PRO 94 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2bow s LYS 95 N -1.09 3.06 0.00 -0.52 2.20 -1.26 -4.57 119.74 117.56 2bow s LYS 95 Ca 0.61 1.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 2bow s LYS 95 Cb -0.74 -1.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 2bow s LYS 95 CO 0.60 -1.03 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 2bow n GLY 96 N -0.74 -1.08 3.63 5.54 0.00 -0.82 -4.93 105.19 106.80 2bow n GLY 96 Ca 0.10 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 2bow n GLY 96 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bow s ARG 97 N -2.00 4.07 -0.09 1.61 3.52 -1.26 -0.65 118.95 124.14 2bow s ARG 97 Ca 0.00 0.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.72 2bow s ARG 97 Cb 0.00 -3.61 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2bow s ARG 97 CO 0.00 -0.19 -0.18 0.71 -0.81 0.00 0.00 175.30 174.83 2bow s TYR 98 N 1.81 2.06 -0.07 5.12 1.51 -0.96 -0.87 117.35 125.95 2bow s TYR 98 Ca 0.16 -0.85 -0.28 0.00 -1.01 0.00 0.00 57.07 55.09 2bow s TYR 98 Cb -0.15 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 2bow s TYR 98 CO 0.09 -0.38 0.94 0.00 -1.11 0.00 0.00 175.55 175.08 2bow s ALA 99 N 0.58 3.33 0.23 3.71 0.00 -0.33 -2.84 121.76 126.43 2bow s ALA 99 Ca -0.15 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.22 2bow s ALA 99 Cb -0.17 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2bow s ALA 99 CO 0.05 -0.42 -0.05 0.00 0.00 0.00 0.00 175.76 175.33 2bow s ILE 101 N -3.21 -0.80 -0.01 0.00 2.07 -1.03 0.62 121.20 118.84 2bow s ILE 101 Ca 0.27 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 2bow s ILE 101 Cb 0.04 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.59 2bow s ILE 101 CO 0.08 0.00 0.04 0.00 -1.91 0.00 0.00 174.94 173.16 2bow s ALA 102 N 2.66 3.45 -0.21 1.50 0.00 -1.25 -2.95 121.76 124.96 2bow s ALA 102 Ca -0.06 -0.89 -0.21 0.00 0.00 0.00 0.00 51.96 50.79 2bow s ALA 102 Cb -0.10 -1.49 0.06 0.00 0.00 0.00 0.00 23.12 21.59 2bow s ALA 102 CO -0.19 0.66 0.59 1.52 0.00 0.00 0.00 175.76 178.35 2bow s TYR 103 N -1.13 -0.64 0.28 0.00 -0.85 -0.29 -2.34 117.35 112.38 2bow s TYR 103 Ca 0.21 1.52 -0.29 0.00 -0.52 0.00 0.00 57.07 57.98 2bow s TYR 103 Cb -0.12 0.23 -0.10 0.00 0.38 0.00 0.00 41.96 42.35 2bow s TYR 103 CO 0.11 -0.33 1.36 -0.80 -1.52 0.00 0.00 175.55 174.37 2bow s ASN 104 N 0.17 6.74 0.19 -0.18 0.02 -1.26 -2.18 114.94 118.44 2bow s ASN 104 Ca -0.01 2.63 -0.30 0.00 -1.02 0.00 0.00 52.86 54.16 2bow s ASN 104 Cb -0.04 -2.63 -0.08 0.00 0.02 0.00 0.00 41.25 38.51 2bow s ASN 104 CO 0.02 -0.60 1.28 0.12 0.02 0.00 0.00 177.10 177.93 2bow s PHE 105 N -0.47 3.30 0.25 2.20 5.36 -0.88 -4.91 117.98 122.84 2bow s PHE 105 Ca 0.54 1.27 -0.18 0.00 -0.96 0.00 0.00 56.93 57.61 2bow s PHE 105 Cb -0.40 -3.56 0.02 0.00 -0.34 0.00 0.00 43.02 38.74 2bow s PHE 105 CO 0.47 -1.70 0.60 0.45 -1.46 0.00 0.00 175.22 173.58 2bow s SER 106 N 0.32 -0.22 -0.10 6.13 0.15 -1.26 -4.95 113.70 113.77 2bow s SER 106 Ca 0.56 -0.65 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 2bow s SER 106 Cb -0.35 0.65 -0.25 0.00 -1.71 0.00 0.00 66.02 64.35 2bow s SER 106 CO 0.37 -1.21 0.46 -2.65 1.20 0.00 0.00 173.24 171.41 2bow n PRO 107 N -0.41 0.72 0.18 5.44 -0.02 -1.26 -2.87 135.00 136.78 2bow n PRO 107 Ca -0.05 0.27 0.14 0.00 -2.02 0.00 0.00 63.50 61.84 2bow n PRO 107 Cb 0.61 -1.73 0.56 0.00 -0.02 0.00 0.00 33.50 32.92 2bow n PRO 107 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2bow h GLU 108 N 0.05 0.00 0.17 -0.52 3.07 -2.01 -2.56 114.58 112.78 2bow h GLU 108 Ca -0.38 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.18 2bow h GLU 108 Cb 2.03 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.95 2bow h GLU 108 CO 0.09 0.00 -1.45 0.45 -1.40 0.00 0.00 179.01 176.69 2bow h HIS 109 N 0.00 0.65 0.00 4.33 3.86 -1.95 -3.26 115.15 118.78 2bow h HIS 109 Ca 0.00 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2bow h HIS 109 Cb 0.38 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2bow h HIS 109 CO 0.00 1.56 0.00 0.98 0.86 0.00 0.00 177.93 181.33 2bow n TYR 110 N -3.81 0.00 -0.24 2.45 9.36 -0.97 0.53 117.16 124.49 2bow n TYR 110 Ca -0.22 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 60.94 2bow n TYR 110 Cb 0.98 -0.36 0.04 0.00 -0.63 0.00 0.00 39.34 39.38 2bow n TYR 110 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 2bow h PHE 111 N 0.00 0.90 0.00 2.98 3.04 -1.78 -2.13 116.94 119.95 2bow h PHE 111 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2bow h PHE 111 Cb 0.00 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.22 2bow h PHE 111 CO -0.57 0.64 0.00 -0.11 -2.02 0.00 0.00 178.31 176.25 2bow n LEU 112 N -4.53 0.31 -0.02 0.59 7.94 -0.79 -1.64 117.00 118.87 2bow n LEU 112 Ca 0.05 0.63 -0.15 0.00 -1.11 0.00 0.00 56.01 55.43 2bow n LEU 112 Cb 0.09 -0.65 -0.14 0.00 0.53 0.00 0.00 43.42 43.24 2bow n LEU 112 CO 0.37 -0.68 -0.75 0.59 -1.11 0.00 0.00 177.39 175.81 2bow n ASN 113 N -1.91 1.46 -0.08 1.96 3.02 0.19 -3.74 115.26 116.16 2bow n ASN 113 Ca -0.00 0.26 -0.07 0.00 -0.03 0.00 0.00 54.58 54.74 2bow n ASN 113 Cb 0.05 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 2bow n ASN 113 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2bow h LEU 114 N 0.03 0.07 -0.40 3.41 6.46 -1.05 -2.69 115.31 121.14 2bow h LEU 114 Ca -0.38 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.50 2bow h LEU 114 Cb 2.03 0.04 -0.09 0.00 -0.73 0.00 0.00 40.66 41.91 2bow h LEU 114 CO 0.07 0.07 -0.23 0.06 -0.62 0.00 0.00 178.44 177.79 2bow h GLN 115 N 0.21 -0.16 -0.73 1.25 3.07 -1.59 -0.61 115.11 116.56 2bow h GLN 115 Ca 0.14 0.01 0.14 0.00 0.09 0.00 0.00 58.65 59.02 2bow h GLN 115 Cb 0.12 0.04 -0.09 0.00 0.08 0.00 0.00 27.48 27.63 2bow h GLN 115 CO -0.16 -0.10 0.27 0.87 0.09 0.00 0.00 178.83 179.80 2bow h LYS 116 N -0.16 0.40 0.00 0.06 1.57 -1.57 0.53 116.57 117.40 2bow h LYS 116 Ca 0.19 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2bow h LYS 116 Cb 0.46 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2bow h LYS 116 CO -0.50 0.27 0.00 -0.11 -0.57 0.00 0.00 179.45 178.54 2bow n LEU 117 N -5.02 0.00 -0.35 2.94 7.94 -0.32 0.10 117.00 122.29 2bow n LEU 117 Ca 0.13 0.93 0.26 0.00 -1.11 0.00 0.00 56.01 56.22 2bow n LEU 117 Cb 0.40 -0.43 0.54 0.00 0.53 0.00 0.00 43.42 44.45 2bow n LEU 117 CO 0.18 -0.43 1.22 0.40 -1.11 0.00 0.00 177.39 177.65 2bow h ILE 118 N 0.00 0.43 0.61 1.96 2.04 -1.11 0.13 117.51 121.58 2bow h ILE 118 Ca 0.00 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2bow h ILE 118 Cb 0.00 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.16 2bow h ILE 118 CO 0.00 0.06 -0.29 0.50 0.00 0.00 0.00 178.15 178.42 2bow h LYS 119 N 0.33 -0.79 -0.99 2.37 3.64 -0.43 -1.63 116.57 119.06 2bow h LYS 119 Ca 0.65 0.05 0.31 0.00 -1.27 0.00 0.00 60.65 60.39 2bow h LYS 119 Cb 1.74 0.18 -0.15 0.00 -0.41 0.00 0.00 32.23 33.59 2bow h LYS 119 CO -0.34 -0.53 0.52 -0.92 -2.27 0.00 0.00 179.45 175.91 2bow h TYR 120 N -0.88 0.84 -0.20 1.91 5.03 0.15 0.12 116.97 123.93 2bow h TYR 120 Ca -0.08 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 2bow h TYR 120 Cb 0.63 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 2bow h TYR 120 CO 0.07 -0.19 0.04 0.82 -1.32 0.00 0.00 178.16 177.58 2bow h ILE 121 N 0.30 1.22 -0.02 1.81 1.08 -0.79 0.12 117.51 121.22 2bow h ILE 121 Ca 0.71 -0.71 -0.08 0.00 -0.39 0.00 0.00 64.86 64.40 2bow h ILE 121 Cb 1.60 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 36.64 2bow h ILE 121 CO -0.62 0.22 -0.36 0.00 -0.69 0.00 0.00 178.15 176.70 2bow h ALA 122 N 0.85 1.36 -0.05 1.87 0.00 0.09 0.72 119.26 124.10 2bow h ALA 122 Ca 0.06 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2bow h ALA 122 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2bow h ALA 122 CO 0.00 0.47 -0.20 -0.44 0.00 0.00 0.00 179.25 179.09 2bow h ASP 123 N 0.04 0.27 0.92 0.00 5.19 -0.68 -3.08 116.42 119.08 2bow h ASP 123 Ca 0.00 -0.64 0.00 0.00 -0.62 0.00 0.00 57.03 55.77 2bow h ASP 123 Cb 0.66 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2bow h ASP 123 CO 0.05 0.86 0.00 0.54 -3.12 0.00 0.00 179.24 177.57 2bow n ARG 124 N -4.55 0.11 -2.28 3.56 5.12 0.01 -4.88 116.66 113.75 2bow n ARG 124 Ca -0.08 0.22 -0.19 0.00 -1.93 0.00 0.00 57.85 55.86 2bow n ARG 124 Cb 0.43 -1.66 -0.02 0.00 -1.16 0.00 0.00 32.46 30.06 2bow n ARG 124 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2bow n GLN 125 N -1.86 -1.49 -1.56 5.56 6.02 0.22 -4.97 117.38 119.31 2bow n GLN 125 Ca 0.05 0.94 -0.31 0.00 -0.01 0.00 0.00 57.00 57.67 2bow n GLN 125 Cb 0.29 -5.47 0.05 0.00 1.02 0.00 0.00 30.24 26.14 2bow n GLN 125 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2bow s LEU 126 N -5.32 3.14 -0.18 1.08 1.02 -1.04 -5.05 118.68 112.34 2bow s LEU 126 Ca 0.00 1.66 -0.02 0.00 0.02 0.00 0.00 54.13 55.79 2bow s LEU 126 Cb 0.00 -4.50 -0.01 0.00 0.02 0.00 0.00 46.19 41.70 2bow s LEU 126 CO 0.00 -1.51 -0.09 0.28 0.02 0.00 0.00 176.35 175.05 2bow s THR 127 N -2.98 3.16 0.12 5.49 -1.32 -1.26 -4.88 115.64 113.97 2bow s THR 127 Ca 0.59 -0.59 -0.20 0.00 -1.21 0.00 0.00 61.69 60.28 2bow s THR 127 Cb -0.15 -2.38 -0.07 0.00 -1.51 0.00 0.00 72.50 68.39 2bow s THR 127 CO 0.54 0.48 0.63 0.54 -2.21 0.00 0.00 174.62 174.60 2bow s VAL 128 N 0.92 4.65 -0.31 5.08 0.11 -1.26 -2.84 120.40 126.75 2bow s VAL 128 Ca -0.02 1.30 0.14 0.00 -2.93 0.00 0.00 61.98 60.48 2bow s VAL 128 Cb -0.15 -3.94 0.47 0.00 -1.53 0.00 0.00 36.38 31.24 2bow s VAL 128 CO -0.00 0.49 1.10 1.33 -3.33 0.00 0.00 175.10 174.69 2bow n VAL 129 N 1.51 1.76 -3.91 2.04 0.24 0.17 -4.98 118.33 115.16 2bow n VAL 129 Ca -0.08 -3.66 0.04 0.00 -2.04 0.00 0.00 64.34 58.61 2bow n VAL 129 Cb 0.50 0.05 0.01 0.00 -1.47 0.00 0.00 33.84 32.93 2bow n VAL 129 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2bow s SER 130 N -3.56 -0.00 0.93 -1.34 1.04 -1.26 -4.82 113.70 104.70 2bow s SER 130 Ca 0.37 -0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.64 2bow s SER 130 Cb 0.39 0.02 0.19 0.00 0.10 0.00 0.00 66.02 66.72 2bow s SER 130 CO -0.03 -0.04 1.29 -1.81 0.98 0.00 0.00 173.24 173.63 2bow s ASP 131 N -3.71 3.26 0.10 7.02 1.11 -1.26 -4.65 116.67 118.55 2bow s ASP 131 Ca 0.28 0.20 -0.18 0.00 0.18 0.00 0.00 52.55 53.02 2bow s ASP 131 Cb 0.02 -0.28 -0.07 0.00 1.07 0.00 0.00 42.92 43.66 2bow s ASP 131 CO -0.04 -2.63 0.58 -0.69 1.18 0.00 0.00 175.17 173.57 2bow s VAL 132 N -3.81 4.74 -0.26 -1.27 1.01 0.11 -4.48 120.40 116.45 2bow s VAL 132 Ca 0.73 1.15 -0.06 0.00 0.00 0.00 0.00 61.98 63.80 2bow s VAL 132 Cb -0.04 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2bow s VAL 132 CO 0.52 0.47 0.04 -0.31 0.00 0.00 0.00 175.10 175.81 2bow s TYR 133 N -1.21 3.07 -0.27 5.22 2.02 0.20 -2.43 117.35 123.95 2bow s TYR 133 Ca 0.32 -0.79 -0.09 0.00 -0.37 0.00 0.00 57.07 56.13 2bow s TYR 133 Cb -0.18 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 2bow s TYR 133 CO 0.19 -0.50 0.14 -2.00 -1.57 0.00 0.00 175.55 171.81 2bow s GLU 134 N 1.53 3.83 -0.22 -0.62 2.12 -0.51 -1.18 118.70 123.65 2bow s GLU 134 Ca 0.05 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 55.01 2bow s GLU 134 Cb -0.16 -3.51 0.05 0.00 0.26 0.00 0.00 34.13 30.77 2bow s GLU 134 CO 0.01 -0.17 -0.10 -0.51 -0.54 0.00 0.00 175.26 173.95 2bow s LEU 135 N 1.67 2.58 -0.09 2.70 2.01 0.59 -1.56 118.68 126.58 2bow s LEU 135 Ca 0.07 -1.05 -0.02 0.00 0.01 0.00 0.00 54.13 53.14 2bow s LEU 135 Cb -0.16 -1.29 -0.03 0.00 0.01 0.00 0.00 46.19 44.72 2bow s LEU 135 CO 0.08 -0.17 -0.01 -0.63 1.01 0.00 0.00 176.35 176.63 2bow s ILE 136 N 1.33 4.20 -0.18 -0.59 1.09 -0.93 -1.67 121.20 124.45 2bow s ILE 136 Ca -0.04 -0.29 -0.04 0.00 -1.10 0.00 0.00 60.65 59.19 2bow s ILE 136 Cb -0.17 -2.76 0.06 0.00 -1.06 0.00 0.00 42.46 38.52 2bow s ILE 136 CO -0.07 0.60 0.05 -0.51 -0.10 0.00 0.00 174.94 174.91 2bow s ILE 137 N -0.80 0.30 -0.79 2.92 -1.16 0.54 -2.61 121.20 119.59 2bow s ILE 137 Ca 0.12 -0.41 -0.26 0.00 -0.51 0.00 0.00 60.65 59.59 2bow s ILE 137 Cb -0.11 -0.86 -0.13 0.00 0.61 0.00 0.00 42.46 41.97 2bow s ILE 137 CO 0.02 -0.23 2.36 -2.16 -2.81 0.00 0.00 174.94 172.12 2bow s PRO 138 N 1.96 1.72 0.00 3.50 0.05 -1.26 0.61 135.00 141.58 2bow s PRO 138 Ca 0.00 0.44 0.00 0.00 0.05 0.00 0.00 61.00 61.49 2bow s PRO 138 Cb -0.17 -4.81 0.00 0.00 0.05 0.00 0.00 34.50 29.58 2bow s PRO 138 CO -0.08 -4.30 0.38 1.51 0.05 0.00 0.00 177.00 174.55 2bow n ILE 139 N 8.67 0.30 -0.32 0.56 0.13 -1.26 -4.84 119.36 122.60 2bow n ILE 139 Ca 0.46 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.11 2bow n ILE 139 Cb 0.44 -0.55 0.00 0.00 -0.84 0.00 0.00 39.64 38.69 2bow n ILE 139 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 2bow n HIS 140 N 0.60 0.00 -3.92 9.51 8.25 -1.26 -5.01 115.22 123.38 2bow n HIS 140 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 2bow n HIS 140 Cb 0.19 -0.21 -0.14 0.00 1.12 0.00 0.00 29.99 30.95 2bow n HIS 140 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2bow s TYR 149 N 0.64 2.96 0.17 4.41 2.02 -1.26 -5.35 117.35 120.94 2bow s TYR 149 Ca 0.00 -1.04 -0.06 0.00 -0.37 0.00 0.00 57.07 55.60 2bow s TYR 149 Cb 0.00 -2.09 -0.06 0.00 -0.40 0.00 0.00 41.96 39.41 2bow s TYR 149 CO 0.00 -0.58 0.43 0.50 -1.57 0.00 0.00 175.55 174.32 2bow s ARG 150 N 1.45 3.66 -0.00 -0.62 6.06 0.20 -2.06 118.95 127.64 2bow s ARG 150 Ca 0.05 -0.00 -0.08 0.00 -2.50 0.00 0.00 55.73 53.20 2bow s ARG 150 Cb -0.14 -2.79 0.00 0.00 0.06 0.00 0.00 34.95 32.08 2bow s ARG 150 CO -0.04 0.41 0.16 0.08 -2.50 0.00 0.00 175.30 173.41 2bow s VAL 151 N -1.73 0.08 -0.10 7.11 1.01 -0.93 -0.34 120.40 125.51 2bow s VAL 151 Ca 0.43 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 2bow s VAL 151 Cb -0.12 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.86 2bow s VAL 151 CO 0.24 -0.35 0.48 -1.83 0.00 0.00 0.00 175.10 173.64 2bow s GLU 152 N -1.30 0.72 -0.11 2.72 -1.05 -0.67 -1.14 118.70 117.88 2bow s GLU 152 Ca -0.14 0.29 0.03 0.00 -0.15 0.00 0.00 54.97 55.00 2bow s GLU 152 Cb -0.07 0.34 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 2bow s GLU 152 CO 0.02 -0.17 -0.20 -1.64 0.95 0.00 0.00 175.26 174.22 2bow s MET 153 N -0.62 2.64 0.03 -4.83 -1.94 -1.15 -0.30 119.30 113.13 2bow s MET 153 Ca -0.07 -0.73 0.04 0.00 -1.71 0.00 0.00 55.69 53.22 2bow s MET 153 Cb -0.03 -2.10 -0.02 0.00 2.01 0.00 0.00 34.83 34.69 2bow s MET 153 CO 0.04 0.05 -0.13 -1.59 -0.01 0.00 0.00 175.02 173.38 2bow s LYS 154 N 0.67 0.88 0.09 2.03 -2.85 -0.33 -2.45 119.74 117.78 2bow s LYS 154 Ca -0.12 -0.65 0.07 0.00 -1.00 0.00 0.00 55.97 54.27 2bow s LYS 154 Cb -0.16 -0.86 -0.03 0.00 -2.06 0.00 0.00 37.83 34.72 2bow s LYS 154 CO 0.03 0.22 -0.17 -1.50 0.10 0.00 0.00 175.35 174.02 2bow s ILE 155 N -0.72 1.40 -0.13 3.79 -1.16 -0.64 -0.62 121.20 123.11 2bow s ILE 155 Ca 0.01 -1.47 -0.15 0.00 -0.51 0.00 0.00 60.65 58.54 2bow s ILE 155 Cb -0.07 -1.34 -0.05 0.00 0.61 0.00 0.00 42.46 41.61 2bow s ILE 155 CO 0.01 -0.18 0.36 -0.60 -2.81 0.00 0.00 174.94 171.71 2bow s ARG 156 N -1.94 4.23 0.43 3.50 3.52 -1.26 -1.19 118.95 126.24 2bow s ARG 156 Ca 0.03 0.23 0.03 0.00 -0.13 0.00 0.00 55.73 55.89 2bow s ARG 156 Cb -0.09 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 2bow s ARG 156 CO 0.03 0.26 0.12 0.44 -0.81 0.00 0.00 175.30 175.35 2bow n ILE 157 N 3.42 0.00 0.98 4.11 -5.35 -0.05 0.43 119.36 122.90 2bow n ILE 157 Ca -0.11 -2.41 0.12 0.00 -0.27 0.00 0.00 62.75 60.08 2bow n ILE 157 Cb 0.52 0.80 0.10 0.00 -1.74 0.00 0.00 39.64 39.31 2bow n ILE 157 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97