#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9r s ARG 2 N 0.00 2.00 0.28 -0.52 3.52 -1.26 -1.72 118.95 121.25 1b9r s ARG 2 Ca 0.00 -1.81 -0.21 0.00 -0.13 0.00 0.00 55.73 53.58 1b9r s ARG 2 Cb 0.00 -1.86 0.04 0.00 -1.56 0.00 0.00 34.95 31.57 1b9r s ARG 2 CO 0.00 0.13 0.79 0.08 -0.81 0.00 0.00 175.30 175.49 1b9r s VAL 3 N -2.55 0.00 -0.27 7.11 1.01 0.80 0.20 120.40 126.71 1b9r s VAL 3 Ca 0.34 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1b9r s VAL 3 Cb 0.01 -2.22 0.16 0.00 0.00 0.00 0.00 36.38 34.33 1b9r s VAL 3 CO 0.19 0.00 0.50 -0.69 0.00 0.00 0.00 175.10 175.09 1b9r s VAL 4 N -3.41 -0.81 0.67 2.92 1.01 0.12 0.10 120.40 120.99 1b9r s VAL 4 Ca 0.13 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1b9r s VAL 4 Cb -0.05 -0.91 0.11 0.00 0.00 0.00 0.00 36.38 35.53 1b9r s VAL 4 CO 0.07 -0.05 0.92 -0.36 0.00 0.00 0.00 175.10 175.68 1b9r s PHE 5 N 2.72 1.73 0.12 5.22 0.40 0.42 0.42 117.98 129.01 1b9r s PHE 5 Ca 0.16 -0.33 -0.13 0.00 -0.60 0.00 0.00 56.93 56.03 1b9r s PHE 5 Cb -0.15 -2.81 0.02 0.00 0.51 0.00 0.00 43.02 40.59 1b9r s PHE 5 CO -0.18 -1.48 0.34 0.42 0.70 0.00 0.00 175.22 175.02 1b9r s ILE 6 N -2.99 0.09 0.03 0.64 -1.09 -1.24 0.21 121.20 116.84 1b9r s ILE 6 Ca 0.64 -0.84 -0.29 0.00 -2.23 0.00 0.00 60.65 57.93 1b9r s ILE 6 Cb -0.06 -1.32 0.10 0.00 -1.58 0.00 0.00 42.46 39.60 1b9r s ILE 6 CO 0.42 -0.39 1.08 -0.62 -1.23 0.00 0.00 174.94 174.20 1b9r s ASP 7 N -2.84 -0.17 0.00 3.58 -1.08 -1.26 -2.31 116.67 112.59 1b9r s ASP 7 Ca 0.05 -0.19 0.31 0.00 -0.52 0.00 0.00 52.55 52.20 1b9r s ASP 7 Cb 0.03 0.32 1.69 0.00 -1.46 0.00 0.00 42.92 43.50 1b9r s ASP 7 CO -0.10 -0.57 2.11 1.21 0.52 0.00 0.00 175.17 178.34 1b9r n GLU 8 N -0.39 1.05 0.01 4.34 2.13 -1.26 0.26 120.64 126.78 1b9r n GLU 8 Ca -0.06 -0.18 -0.17 0.00 0.66 0.00 0.00 57.16 57.41 1b9r n GLU 8 Cb 0.61 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.69 1b9r n GLU 8 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1b9r h GLN 9 N 0.43 0.19 0.00 5.31 7.50 -1.97 -3.41 115.11 123.16 1b9r h GLN 9 Ca 0.00 -0.33 0.00 0.00 0.50 0.00 0.00 58.65 58.82 1b9r h GLN 9 Cb 0.13 0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.78 1b9r h GLN 9 CO 0.00 0.99 0.00 -1.13 -1.50 0.00 0.00 178.83 177.19 1b9r n SER 10 N -3.35 0.11 -1.36 1.46 3.41 -1.21 -5.01 113.62 107.67 1b9r n SER 10 Ca -0.25 -0.85 -0.18 0.00 -0.26 0.00 0.00 58.87 57.33 1b9r n SER 10 Cb 1.05 0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.95 1b9r n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b9r n GLY 11 N 0.02 1.73 0.00 5.00 0.00 0.72 -4.88 105.19 107.78 1b9r n GLY 11 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1b9r n GLY 11 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b9r n GLU 12 N -2.31 0.00 -3.03 1.61 2.13 -1.24 -4.55 120.64 113.24 1b9r n GLU 12 Ca -0.18 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.49 1b9r n GLU 12 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.32 1b9r n GLU 12 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1b9r n TYR 13 N -0.48 -1.00 -1.62 4.31 4.02 0.57 -4.66 117.16 118.31 1b9r n TYR 13 Ca 0.00 -3.17 -0.44 0.00 -0.01 0.00 0.00 57.90 54.28 1b9r n TYR 13 Cb 0.00 0.30 -0.02 0.00 -0.02 0.00 0.00 39.34 39.60 1b9r n TYR 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1b9r n ALA 14 N 0.56 0.15 -3.00 -0.72 0.00 -1.25 -0.44 120.51 115.82 1b9r n ALA 14 Ca 0.18 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1b9r n ALA 14 Cb 0.65 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1b9r n ALA 14 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1b9r n VAL 15 N 0.48 0.00 -3.70 0.00 3.14 0.28 -4.76 118.33 113.77 1b9r n VAL 15 Ca 0.09 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.37 1b9r n VAL 15 Cb 0.32 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.06 1b9r n VAL 15 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1b9r s ASP 16 N 2.00 -0.27 0.06 6.55 1.01 -1.25 0.28 116.67 125.05 1b9r s ASP 16 Ca 0.00 -0.42 0.01 0.00 0.71 0.00 0.00 52.55 52.85 1b9r s ASP 16 Cb 0.00 0.55 -0.00 0.00 1.01 0.00 0.00 42.92 44.48 1b9r s ASP 16 CO 0.00 -1.00 0.06 0.00 0.21 0.00 0.00 175.17 174.44 1b9r n ALA 17 N -0.32 0.08 -3.25 5.23 0.00 -0.70 -4.68 120.51 116.87 1b9r n ALA 17 Ca -0.12 -0.33 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 1b9r n ALA 17 Cb 0.63 0.27 -0.14 0.00 0.00 0.00 0.00 19.45 20.21 1b9r n ALA 17 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1b9r s GLN 18 N -2.21 0.05 -0.60 0.00 -1.52 -1.26 0.27 119.66 114.38 1b9r s GLN 18 Ca 0.07 0.15 -0.38 0.00 -1.95 0.00 0.00 55.36 53.25 1b9r s GLN 18 Cb 0.00 -0.07 -0.18 0.00 -0.22 0.00 0.00 33.01 32.55 1b9r s GLN 18 CO 0.05 -0.07 2.32 -0.25 -0.25 0.00 0.00 175.29 177.08 1b9r n ASP 19 N 3.50 1.00 0.00 5.90 8.00 -1.26 0.12 116.55 133.81 1b9r n ASP 19 Ca -0.18 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1b9r n ASP 19 Cb 0.56 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 1b9r n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b9r n GLY 20 N 6.95 1.27 3.78 0.44 0.00 -0.26 -4.86 105.19 112.51 1b9r n GLY 20 Ca 0.54 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.21 1b9r n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b9r s GLN 21 N 0.00 3.17 0.58 1.61 -0.21 0.33 -4.72 119.66 120.43 1b9r s GLN 21 Ca 0.00 -0.31 -0.02 0.00 0.02 0.00 0.00 55.36 55.04 1b9r s GLN 21 Cb 0.00 -2.96 0.03 0.00 1.00 0.00 0.00 33.01 31.08 1b9r s GLN 21 CO 0.00 0.72 0.85 -1.54 -2.12 0.00 0.00 175.29 173.20 1b9r s SER 22 N -1.09 5.31 0.00 5.90 1.04 -1.25 0.40 113.70 124.01 1b9r s SER 22 Ca 0.16 0.31 0.10 0.00 0.48 0.00 0.00 55.95 57.00 1b9r s SER 22 Cb -0.12 -1.22 0.57 0.00 0.10 0.00 0.00 66.02 65.36 1b9r s SER 22 CO 0.05 -1.18 1.37 0.00 0.98 0.00 0.00 173.24 174.47 1b9r n LEU 23 N -2.50 0.12 -0.11 2.42 -0.00 -1.14 -2.32 117.00 113.47 1b9r n LEU 23 Ca 0.06 -0.06 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 1b9r n LEU 23 Cb 0.59 -0.01 -0.12 0.00 -0.00 0.00 0.00 43.42 43.88 1b9r n LEU 23 CO 0.49 0.03 -1.22 1.15 -0.00 0.00 0.00 177.39 177.84 1b9r n MET 24 N -0.57 0.72 0.06 1.47 0.00 -1.22 -4.23 117.12 113.35 1b9r n MET 24 Ca 0.08 0.09 -0.19 0.00 0.00 0.00 0.00 57.70 57.68 1b9r n MET 24 Cb 0.05 -1.48 -0.10 0.00 0.00 0.00 0.00 33.22 31.70 1b9r n MET 24 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1b9r h GLU 25 N 0.00 0.60 -0.22 3.17 4.57 -1.82 -3.23 114.58 117.65 1b9r h GLU 25 Ca -0.52 -0.69 0.05 0.00 -1.18 0.00 0.00 59.36 57.02 1b9r h GLU 25 Cb 1.93 0.21 -0.07 0.00 -0.16 0.00 0.00 28.75 30.66 1b9r h GLU 25 CO -0.04 1.28 -0.38 0.28 -1.18 0.00 0.00 179.01 178.97 1b9r h VAL 26 N 0.31 0.19 0.00 0.32 2.07 -1.68 -2.72 116.25 114.74 1b9r h VAL 26 Ca -0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1b9r h VAL 26 Cb 1.74 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1b9r h VAL 26 CO 0.20 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1b9r n ALA 27 N -2.94 0.00 -0.35 1.67 0.00 -1.22 0.33 120.51 118.00 1b9r n ALA 27 Ca -0.02 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.78 1b9r n ALA 27 Cb 0.35 0.15 0.76 0.00 0.00 0.00 0.00 19.45 20.71 1b9r n ALA 27 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1b9r h THR 28 N 0.00 0.37 0.02 0.00 1.35 -1.60 1.65 112.91 114.71 1b9r h THR 28 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.65 1b9r h THR 28 Cb 0.00 0.37 -0.02 0.00 -1.73 0.00 0.00 68.15 66.78 1b9r h THR 28 CO 0.00 0.00 -0.98 1.56 -0.25 0.00 0.00 175.52 175.85 1b9r h GLN 29 N 0.00 0.09 -0.21 4.72 4.20 0.57 -3.17 115.11 121.32 1b9r h GLN 29 Ca 0.59 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1b9r h GLN 29 Cb 2.39 0.05 0.00 0.00 0.30 0.00 0.00 27.48 30.21 1b9r h GLN 29 CO -0.01 1.00 0.00 0.09 -0.67 0.00 0.00 178.83 179.24 1b9r n ASN 30 N -3.49 1.60 0.00 1.46 3.02 0.54 -4.87 115.26 113.52 1b9r n ASN 30 Ca -0.02 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 1b9r n ASN 30 Cb 0.90 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 1b9r n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b9r n GLY 31 N 1.08 1.54 3.33 7.41 0.00 0.07 -4.98 105.19 113.64 1b9r n GLY 31 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1b9r n GLY 31 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b9r n VAL 32 N -2.00 0.58 1.49 1.61 0.31 -0.24 -4.82 118.33 115.26 1b9r n VAL 32 Ca 0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1b9r n VAL 32 Cb 0.00 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 1b9r n VAL 32 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1b9r n PRO 33 N -0.31 0.87 -3.38 5.55 -0.02 -1.26 -4.43 135.00 132.02 1b9r n PRO 33 Ca 0.06 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.35 1b9r n PRO 33 Cb 0.52 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 1b9r n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b9r n GLY 34 N 0.28 -0.83 2.45 -1.23 0.00 -1.26 -4.64 105.19 99.97 1b9r n GLY 34 Ca 0.00 0.49 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 1b9r n GLY 34 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1b9r n ILE 35 N -1.83 1.91 0.00 -0.61 2.08 -1.26 -4.62 119.36 115.03 1b9r n ILE 35 Ca -0.22 -1.07 0.00 0.00 0.56 0.00 0.00 62.75 62.03 1b9r n ILE 35 Cb 0.51 -1.93 0.00 0.00 -0.75 0.00 0.00 39.64 37.47 1b9r n ILE 35 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 1b9r n VAL 36 N 3.55 0.00 0.00 1.39 3.14 -1.26 -4.86 118.33 120.29 1b9r n VAL 36 Ca 0.32 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.70 1b9r n VAL 36 Cb 0.29 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 1b9r n VAL 36 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b9r n ALA 37 N -1.56 0.00 -0.05 1.55 0.00 -1.26 -5.00 120.51 114.19 1b9r n ALA 37 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1b9r n ALA 37 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1b9r n ALA 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1b9r h GLU 38 N 0.00 0.00 0.05 0.00 4.81 -1.99 -3.41 114.58 114.04 1b9r h GLU 38 Ca 0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 1b9r h GLU 38 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1b9r h GLU 38 CO 0.00 0.00 -2.13 0.00 -0.73 0.00 0.00 179.01 176.15 1b9r n GLY 40 N 1.94 -0.60 0.00 0.00 0.00 -1.26 -0.83 105.19 104.44 1b9r n GLY 40 Ca -0.33 0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1b9r n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b9r n GLY 41 N -1.66 1.34 0.12 -0.02 0.00 -1.26 -4.93 105.19 98.78 1b9r n GLY 41 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1b9r n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1b9r h SER 42 N 0.00 0.00 -5.71 1.61 0.87 -1.36 -3.49 113.55 105.47 1b9r h SER 42 Ca 0.00 -0.06 -0.29 0.00 -1.23 0.00 0.00 61.79 60.21 1b9r h SER 42 Cb 0.00 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 62.10 1b9r h SER 42 CO 0.00 0.03 -0.81 0.00 -0.53 0.00 0.00 176.83 175.52 1b9r n VAL 44 N -3.38 0.08 -4.47 0.00 0.24 -1.26 -5.10 118.33 104.43 1b9r n VAL 44 Ca -0.08 -0.09 -0.24 0.00 -2.04 0.00 0.00 64.34 61.90 1b9r n VAL 44 Cb 0.60 1.19 -0.07 0.00 -1.47 0.00 0.00 33.84 34.09 1b9r n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b9r n ALA 46 N -1.17 1.74 0.39 0.00 0.00 -1.26 -4.89 120.51 115.33 1b9r n ALA 46 Ca -0.15 -0.31 0.05 0.00 0.00 0.00 0.00 53.44 53.03 1b9r n ALA 46 Cb 0.58 -0.13 0.19 0.00 0.00 0.00 0.00 19.45 20.09 1b9r n ALA 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b9r n THR 47 N 0.00 0.98 -1.55 0.00 -1.04 -1.26 -4.14 114.28 107.28 1b9r n THR 47 Ca 0.00 -0.62 -0.32 0.00 -2.04 0.00 0.00 64.05 61.07 1b9r n THR 47 Cb 0.55 -0.08 0.06 0.00 -1.82 0.00 0.00 70.33 69.04 1b9r n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b9r n ARG 49 N -0.84 3.25 -0.39 0.00 1.85 -1.26 0.16 116.66 119.43 1b9r n ARG 49 Ca 0.58 -1.91 -0.26 0.00 -1.00 0.00 0.00 57.85 55.25 1b9r n ARG 49 Cb 0.71 -2.57 0.23 0.00 -1.05 0.00 0.00 32.46 29.79 1b9r n ARG 49 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 1b9r n ILE 50 N 3.20 0.00 -3.77 8.89 3.06 -0.03 -4.43 119.36 126.28 1b9r n ILE 50 Ca 0.68 -0.10 -0.25 0.00 -2.50 0.00 0.00 62.75 60.58 1b9r n ILE 50 Cb 0.42 -0.80 -0.17 0.00 0.54 0.00 0.00 39.64 39.63 1b9r n ILE 50 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1b9r s GLU 51 N -4.33 0.66 0.47 9.51 2.02 0.59 -0.65 118.70 126.98 1b9r s GLU 51 Ca 0.56 -0.07 -0.22 0.00 0.02 0.00 0.00 54.97 55.26 1b9r s GLU 51 Cb -0.12 -1.35 -0.07 0.00 0.10 0.00 0.00 34.13 32.68 1b9r s GLU 51 CO 0.51 -0.41 1.15 0.42 0.02 0.00 0.00 175.26 176.95 1b9r s ILE 52 N 1.93 3.18 1.20 -1.63 -1.09 -1.04 0.21 121.20 123.97 1b9r s ILE 52 Ca 0.03 0.85 -0.18 0.00 -2.23 0.00 0.00 60.65 59.12 1b9r s ILE 52 Cb -0.14 -3.41 0.26 0.00 -1.58 0.00 0.00 42.46 37.59 1b9r s ILE 52 CO -0.06 -0.05 0.56 -1.84 -1.23 0.00 0.00 174.94 172.32 1b9r n GLU 53 N -0.65 -3.27 -0.64 2.79 0.00 0.37 -4.71 120.64 114.53 1b9r n GLU 53 Ca 0.08 -0.97 -0.04 0.00 0.00 0.00 0.00 57.16 56.24 1b9r n GLU 53 Cb 0.49 -1.70 0.19 0.00 0.00 0.00 0.00 31.44 30.42 1b9r n GLU 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1b9r n ASP 54 N -3.24 3.72 -0.03 -1.84 5.75 -1.26 -3.63 116.55 116.03 1b9r n ASP 54 Ca 0.08 -2.75 -0.03 0.00 -0.01 0.00 0.00 54.79 52.09 1b9r n ASP 54 Cb 0.47 -0.66 -0.04 0.00 -1.03 0.00 0.00 41.12 39.86 1b9r n ASP 54 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b9r n ALA 55 N 0.00 1.87 0.57 2.12 0.00 -1.26 -4.73 120.51 119.08 1b9r n ALA 55 Ca 0.25 -0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.43 1b9r n ALA 55 Cb 1.00 0.17 0.07 0.00 0.00 0.00 0.00 19.45 20.69 1b9r n ALA 55 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1b9r n TRP 56 N -2.27 0.05 -0.18 0.00 7.02 -1.24 -4.41 117.44 116.41 1b9r n TRP 56 Ca -0.09 -0.04 -0.03 0.00 -1.02 0.00 0.00 57.50 56.32 1b9r n TRP 56 Cb 0.67 -0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.72 1b9r n TRP 56 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1b9r h VAL 57 N 2.99 1.23 0.00 -0.99 2.07 -1.85 3.54 116.25 123.25 1b9r h VAL 57 Ca 0.00 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1b9r h VAL 57 Cb 0.65 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1b9r h VAL 57 CO 0.00 0.30 0.00 -0.62 0.02 0.00 0.00 177.57 177.27 1b9r n GLU 58 N -4.29 0.31 -0.11 1.57 1.02 -1.26 -1.07 120.64 116.81 1b9r n GLU 58 Ca 0.05 0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 57.02 1b9r n GLU 58 Cb 0.20 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.99 1b9r n GLU 58 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1b9r n ILE 59 N -1.34 1.52 0.00 -3.67 5.41 0.13 -4.84 119.36 116.57 1b9r n ILE 59 Ca 0.12 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 63.27 1b9r n ILE 59 Cb 0.26 -1.38 0.00 0.00 -0.71 0.00 0.00 39.64 37.82 1b9r n ILE 59 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1b9r n VAL 60 N -3.24 0.00 -2.36 1.39 0.31 1.13 -4.66 118.33 110.91 1b9r n VAL 60 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1b9r n VAL 60 Cb 1.01 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1b9r n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b9r n GLY 61 N 2.69 0.00 0.07 2.92 0.00 -0.23 -4.66 105.19 105.98 1b9r n GLY 61 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1b9r n GLY 61 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1b9r h GLU 62 N 1.05 0.00 -6.50 1.61 5.08 -1.89 -3.48 114.58 110.45 1b9r h GLU 62 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1b9r h GLU 62 Cb 0.00 0.00 0.21 0.00 0.50 0.00 0.00 28.75 29.46 1b9r h GLU 62 CO 0.00 0.00 -0.82 0.00 -1.00 0.00 0.00 179.01 177.19 1b9r n ALA 63 N -1.92 -2.81 -1.99 3.43 0.00 -1.26 -4.99 120.51 110.98 1b9r n ALA 63 Ca 0.02 -0.43 -0.24 0.00 0.00 0.00 0.00 53.44 52.79 1b9r n ALA 63 Cb 0.47 -1.65 0.12 0.00 0.00 0.00 0.00 19.45 18.39 1b9r n ALA 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1b9r s ASN 64 N -1.50 4.13 0.00 0.00 4.22 -1.26 -4.95 114.94 115.58 1b9r s ASN 64 Ca 0.57 -0.32 0.00 0.00 -2.14 0.00 0.00 52.86 50.97 1b9r s ASN 64 Cb -0.29 0.02 0.00 0.00 1.28 0.00 0.00 41.25 42.26 1b9r s ASN 64 CO 0.67 -2.02 0.83 -0.81 -2.04 0.00 0.00 177.10 173.73 1b9r n PRO 65 N -2.98 0.95 -0.05 3.55 -0.05 -1.26 -3.79 135.00 131.37 1b9r n PRO 65 Ca 0.16 0.00 -0.04 0.00 -0.05 0.00 0.00 63.50 63.57 1b9r n PRO 65 Cb 0.60 -1.13 -0.01 0.00 -0.05 0.00 0.00 33.50 32.92 1b9r n PRO 65 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1b9r n ASP 66 N -0.36 1.20 0.27 3.54 8.00 -1.26 -3.70 116.55 124.24 1b9r n ASP 66 Ca 0.00 0.42 0.14 0.00 0.71 0.00 0.00 54.79 56.07 1b9r n ASP 66 Cb 0.06 -0.72 0.86 0.00 -0.02 0.00 0.00 41.12 41.30 1b9r n ASP 66 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1b9r h GLU 67 N -0.65 0.00 -0.21 -1.24 4.11 -1.97 0.52 114.58 115.13 1b9r h GLU 67 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.23 1b9r h GLU 67 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1b9r h GLU 67 CO 0.00 0.00 -0.65 -0.97 0.07 0.00 0.00 179.01 177.46 1b9r h ASN 68 N 0.00 0.90 0.89 3.06 -0.00 -1.77 -2.09 115.58 116.57 1b9r h ASN 68 Ca 0.02 -0.53 -0.23 0.00 -0.00 0.00 0.00 56.30 55.56 1b9r h ASN 68 Cb 0.10 -0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 38.13 1b9r h ASN 68 CO -0.00 1.32 -1.12 -0.78 -0.00 0.00 0.00 177.43 176.85 1b9r h ASP 69 N 0.57 0.05 0.85 1.15 1.82 -1.28 -2.59 116.42 116.99 1b9r h ASP 69 Ca -0.02 -0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.55 1b9r h ASP 69 Cb 1.26 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 41.25 1b9r h ASP 69 CO 0.14 1.04 -0.11 0.25 -1.61 0.00 0.00 179.24 178.95 1b9r h LEU 70 N 0.01 0.00 0.09 2.28 5.85 -0.01 -2.97 115.31 120.56 1b9r h LEU 70 Ca -0.06 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.37 1b9r h LEU 70 Cb 1.82 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 1b9r h LEU 70 CO 0.13 0.11 -1.52 0.25 -0.34 0.00 0.00 178.44 177.07 1b9r h LEU 71 N 0.00 0.30 -1.38 2.25 5.85 -1.36 -3.32 115.31 117.65 1b9r h LEU 71 Ca -0.00 -0.80 0.22 0.00 0.84 0.00 0.00 57.88 58.14 1b9r h LEU 71 Cb 0.56 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 1b9r h LEU 71 CO 0.01 1.65 0.63 1.56 -0.34 0.00 0.00 178.44 181.95 1b9r h GLN 72 N -0.37 0.45 0.00 1.25 7.50 -1.37 0.48 115.11 123.05 1b9r h GLN 72 Ca -0.34 -0.03 -0.06 0.00 0.50 0.00 0.00 58.65 58.72 1b9r h GLN 72 Cb 1.72 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 29.14 1b9r h GLN 72 CO 0.00 0.30 -0.30 1.03 -1.50 0.00 0.00 178.83 178.36 1b9r h SER 73 N 0.47 0.00 -0.06 1.46 0.87 -1.66 -3.29 113.55 111.33 1b9r h SER 73 Ca 0.53 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 61.12 1b9r h SER 73 Cb 1.24 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.14 1b9r h SER 73 CO -0.25 0.30 -0.43 0.71 -0.53 0.00 0.00 176.83 176.63 1b9r h THR 74 N 0.00 0.14 0.00 2.23 1.35 -0.12 -3.47 112.91 113.04 1b9r h THR 74 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1b9r h THR 74 Cb 0.90 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1b9r h THR 74 CO 0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1b9r n GLY 75 N -1.44 1.22 3.76 5.82 0.00 -1.24 -5.11 105.19 108.20 1b9r n GLY 75 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1b9r n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b9r s GLU 76 N -0.09 4.24 1.13 1.61 2.02 -1.26 -5.07 118.70 121.27 1b9r s GLU 76 Ca 0.00 0.51 -0.16 0.00 0.02 0.00 0.00 54.97 55.34 1b9r s GLU 76 Cb 0.00 -3.36 0.22 0.00 0.10 0.00 0.00 34.13 31.09 1b9r s GLU 76 CO 0.00 0.34 0.44 -0.35 0.02 0.00 0.00 175.26 175.72 1b9r n PRO 77 N 2.97 -2.83 -2.14 0.39 -0.04 -1.26 -4.94 135.00 127.16 1b9r n PRO 77 Ca -0.09 -0.83 -0.04 0.00 -0.04 0.00 0.00 63.50 62.50 1b9r n PRO 77 Cb 0.52 -1.62 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1b9r n PRO 77 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1b9r n MET 78 N -2.83 0.23 -0.65 0.54 2.81 -1.26 -5.13 117.12 110.83 1b9r n MET 78 Ca 0.07 -0.76 0.00 0.00 -1.81 0.00 0.00 57.70 55.20 1b9r n MET 78 Cb 0.44 0.78 0.00 0.00 -0.71 0.00 0.00 33.22 33.73 1b9r n MET 78 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1b9r n THR 79 N -0.16 0.00 -3.32 2.03 -2.24 -1.26 -5.12 114.28 104.20 1b9r n THR 79 Ca -0.01 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 1b9r n THR 79 Cb 0.17 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 1b9r n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b9r s ALA 80 N -1.33 3.61 0.00 6.98 0.00 -1.26 -3.95 121.76 125.81 1b9r s ALA 80 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1b9r s ALA 80 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1b9r s ALA 80 CO 0.00 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.59 1b9r n GLY 81 N 1.75 2.95 3.62 0.00 0.00 -1.26 -4.90 105.19 107.34 1b9r n GLY 81 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1b9r n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b9r n THR 82 N -2.00 2.86 -3.83 2.61 -1.04 -1.25 -2.48 114.28 109.15 1b9r n THR 82 Ca 0.00 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.44 1b9r n THR 82 Cb 0.00 -1.19 0.01 0.00 -1.82 0.00 0.00 70.33 67.33 1b9r n THR 82 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1b9r s ARG 83 N -2.29 1.97 -0.15 -2.82 1.81 0.18 -4.86 118.95 112.79 1b9r s ARG 83 Ca 0.67 -1.22 -0.23 0.00 -1.72 0.00 0.00 55.73 53.24 1b9r s ARG 83 Cb -0.50 0.59 -0.02 0.00 -0.45 0.00 0.00 34.95 34.57 1b9r s ARG 83 CO 0.54 -0.92 0.71 -0.51 -0.68 0.00 0.00 175.30 174.44 1b9r s LEU 84 N -3.05 4.20 0.12 2.53 2.01 -1.26 -0.85 118.68 122.38 1b9r s LEU 84 Ca 0.15 1.04 -0.19 0.00 0.01 0.00 0.00 54.13 55.13 1b9r s LEU 84 Cb -0.05 -3.05 -0.06 0.00 0.01 0.00 0.00 46.19 43.04 1b9r s LEU 84 CO 0.09 -0.27 1.75 -1.28 1.01 0.00 0.00 176.35 177.66 1b9r h SER 85 N 7.22 0.26 -0.36 2.29 0.87 0.12 -1.91 113.55 122.05 1b9r h SER 85 Ca -0.33 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1b9r h SER 85 Cb 1.15 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1b9r h SER 85 CO 0.79 0.22 0.00 0.00 -0.53 0.00 0.00 176.83 177.31 1b9r n GLN 87 N 0.49 0.62 -3.26 0.00 -0.06 -0.97 -4.95 117.38 109.25 1b9r n GLN 87 Ca 0.15 -0.01 -0.39 0.00 -2.00 0.00 0.00 57.00 54.74 1b9r n GLN 87 Cb 0.61 -1.00 -0.07 0.00 -4.06 0.00 0.00 30.24 25.73 1b9r n GLN 87 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1b9r s VAL 88 N -2.03 5.12 0.15 1.69 1.01 -0.76 -4.87 120.40 120.72 1b9r s VAL 88 Ca -0.00 0.92 0.07 0.00 0.00 0.00 0.00 61.98 62.96 1b9r s VAL 88 Cb 0.01 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1b9r s VAL 88 CO 0.07 0.18 -0.15 -0.36 0.00 0.00 0.00 175.10 174.84 1b9r s PHE 89 N 1.62 1.56 0.63 5.22 0.40 -1.26 -2.87 117.98 123.28 1b9r s PHE 89 Ca 0.23 -0.56 -0.15 0.00 -0.60 0.00 0.00 56.93 55.86 1b9r s PHE 89 Cb -0.15 -0.78 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 1b9r s PHE 89 CO 0.09 0.23 1.07 0.42 0.70 0.00 0.00 175.22 177.74 1b9r s ILE 90 N -2.41 3.66 -0.08 0.64 -1.09 0.16 -4.82 121.20 117.25 1b9r s ILE 90 Ca 0.14 0.74 -0.32 0.00 -2.23 0.00 0.00 60.65 58.98 1b9r s ILE 90 Cb -0.03 -3.28 0.13 0.00 -1.58 0.00 0.00 42.46 37.70 1b9r s ILE 90 CO 0.05 -0.51 1.32 1.51 -1.23 0.00 0.00 174.94 176.08 1b9r s ASP 91 N -2.88 -0.05 0.00 3.58 1.47 -1.26 -1.10 116.67 116.43 1b9r s ASP 91 Ca 0.64 -0.07 -0.01 0.00 1.18 0.00 0.00 52.55 54.28 1b9r s ASP 91 Cb -0.17 0.11 -0.05 0.00 -0.34 0.00 0.00 42.92 42.47 1b9r s ASP 91 CO 0.41 -0.20 1.08 -2.65 0.68 0.00 0.00 175.17 174.49 1b9r n PRO 92 N -0.39 0.46 0.00 2.11 -0.02 -1.26 -1.18 135.00 134.72 1b9r n PRO 92 Ca -0.06 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 1b9r n PRO 92 Cb 0.62 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 1b9r n PRO 92 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1b9r n SER 93 N 2.46 0.00 -2.31 2.55 3.41 -1.26 -4.89 113.62 113.58 1b9r n SER 93 Ca 0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.40 1b9r n SER 93 Cb 0.22 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1b9r n SER 93 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1b9r n MET 94 N -1.13 3.30 -3.15 4.33 2.81 -0.32 -4.78 117.12 118.19 1b9r n MET 94 Ca 0.00 -4.04 -0.40 0.00 -1.81 0.00 0.00 57.70 51.44 1b9r n MET 94 Cb 0.00 -2.27 -0.07 0.00 -0.71 0.00 0.00 33.22 30.17 1b9r n MET 94 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1b9r s ASP 95 N -2.98 6.54 -0.01 7.83 1.01 -1.23 -3.22 116.67 124.61 1b9r s ASP 95 Ca 0.53 0.65 0.00 0.00 0.71 0.00 0.00 52.55 54.44 1b9r s ASP 95 Cb 0.43 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 42.04 1b9r s ASP 95 CO -0.09 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.56 1b9r n GLY 96 N 4.22 0.37 3.79 0.21 0.00 0.55 -4.70 105.19 109.63 1b9r n GLY 96 Ca -0.02 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 1b9r n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1b9r s LEU 97 N -0.02 4.06 -0.09 0.99 -0.00 -0.68 -4.63 118.68 118.32 1b9r s LEU 97 Ca 0.00 1.96 -0.01 0.00 -0.00 0.00 0.00 54.13 56.08 1b9r s LEU 97 Cb 0.00 -4.30 -0.03 0.00 -0.00 0.00 0.00 46.19 41.86 1b9r s LEU 97 CO 0.00 -0.52 -0.03 -0.63 -0.00 0.00 0.00 176.35 175.17 1b9r s ILE 98 N -1.79 4.00 0.49 1.48 1.09 -1.26 -0.71 121.20 124.50 1b9r s ILE 98 Ca 0.60 -0.36 0.03 0.00 -1.10 0.00 0.00 60.65 59.82 1b9r s ILE 98 Cb -0.19 -2.67 0.03 0.00 -1.06 0.00 0.00 42.46 38.57 1b9r s ILE 98 CO 0.24 0.59 0.26 0.52 -0.10 0.00 0.00 174.94 176.44 1b9r n VAL 99 N 2.35 0.00 -3.64 2.92 0.31 1.39 -0.48 118.33 121.18 1b9r n VAL 99 Ca -0.18 -2.05 -0.08 0.00 -0.01 0.00 0.00 64.34 62.02 1b9r n VAL 99 Cb 0.53 0.09 -0.07 0.00 -0.91 0.00 0.00 33.84 33.48 1b9r n VAL 99 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1b9r s ARG 100 N -3.93 0.55 -0.17 5.55 0.52 0.56 -3.64 118.95 118.39 1b9r s ARG 100 Ca 0.19 0.76 -0.09 0.00 -0.52 0.00 0.00 55.73 56.07 1b9r s ARG 100 Cb -0.02 0.21 -0.05 0.00 0.52 0.00 0.00 34.95 35.62 1b9r s ARG 100 CO 0.12 -0.08 0.14 0.08 0.02 0.00 0.00 175.30 175.58 1b9r s VAL 101 N 0.71 5.43 0.00 3.52 1.01 -0.98 -0.30 120.40 129.79 1b9r s VAL 101 Ca -0.02 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1b9r s VAL 101 Cb -0.05 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1b9r s VAL 101 CO -0.09 0.49 0.00 -2.65 0.00 0.00 0.00 175.10 172.85 1b9r n PRO 102 N 3.05 1.21 -5.01 2.72 -0.02 -1.26 -4.75 135.00 130.94 1b9r n PRO 102 Ca -0.17 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.03 1b9r n PRO 102 Cb 0.53 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.86 1b9r n PRO 102 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1b9r s LEU 103 N 0.00 2.08 -0.31 2.45 0.05 -1.26 -4.75 118.68 116.94 1b9r s LEU 103 Ca 0.00 -0.46 -0.28 0.00 0.05 0.00 0.00 54.13 53.44 1b9r s LEU 103 Cb 0.00 -1.15 -0.12 0.00 -2.05 0.00 0.00 46.19 42.87 1b9r s LEU 103 CO 0.00 0.25 1.23 -2.65 -0.55 0.00 0.00 176.35 174.63 1b9r n PRO 104 N 2.29 0.00 0.00 1.48 -0.02 -1.26 -5.22 135.00 132.28 1b9r n PRO 104 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1b9r n PRO 104 Cb 0.52 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 1b9r n PRO 104 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48