#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 2.08 0.20 -0.52 6.06 -1.26 -1.62 118.95 123.89 1b9r s ARG 2 Ca 0.00 -1.71 -0.23 0.00 -2.50 0.00 0.00 55.73 51.29 1b9r s ARG 2 Cb 0.00 -1.95 0.05 0.00 0.06 0.00 0.00 34.95 33.11 1b9r s ARG 2 CO 0.00 0.17 0.74 0.08 -2.50 0.00 0.00 175.30 173.79 1b9r s VAL 3 N -2.49 0.00 -0.24 7.11 1.01 0.74 0.22 120.40 126.75 1b9r s VAL 3 Ca 0.34 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1b9r s VAL 3 Cb -0.01 -1.61 0.13 0.00 0.00 0.00 0.00 36.38 34.89 1b9r s VAL 3 CO 0.19 0.00 0.33 -0.69 0.00 0.00 0.00 175.10 174.94 1b9r s VAL 4 N -3.69 -0.52 0.65 2.92 1.01 0.17 0.25 120.40 121.18 1b9r s VAL 4 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1b9r s VAL 4 Cb -0.03 -0.80 0.08 0.00 0.00 0.00 0.00 36.38 35.63 1b9r s VAL 4 CO -0.01 -0.18 0.91 -0.36 0.00 0.00 0.00 175.10 175.46 1b9r s PHE 5 N 2.48 2.28 0.16 5.22 0.40 0.02 0.42 117.98 128.96 1b9r s PHE 5 Ca 0.11 -0.08 -0.17 0.00 -0.60 0.00 0.00 56.93 56.19 1b9r s PHE 5 Cb -0.15 -2.93 0.04 0.00 0.51 0.00 0.00 43.02 40.49 1b9r s PHE 5 CO -0.17 -1.33 0.48 0.42 0.70 0.00 0.00 175.22 175.31 1b9r s ILE 6 N -3.00 0.04 0.07 0.64 1.09 0.40 0.28 121.20 120.73 1b9r s ILE 6 Ca 0.62 -0.60 -0.17 0.00 -1.10 0.00 0.00 60.65 59.40 1b9r s ILE 6 Cb -0.08 -1.33 0.06 0.00 -1.06 0.00 0.00 42.46 40.05 1b9r s ILE 6 CO 0.42 -0.19 0.81 -0.67 -0.10 0.00 0.00 174.94 175.21 1b9r n ASP 7 N -0.29 -1.08 -0.52 3.58 -0.08 -1.26 -0.84 116.55 116.05 1b9r n ASP 7 Ca -0.13 -1.46 0.13 0.00 -1.51 0.00 0.00 54.79 51.82 1b9r n ASP 7 Cb 0.63 1.73 0.41 0.00 2.34 0.00 0.00 41.12 46.24 1b9r n ASP 7 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1b9r n GLU 8 N -0.58 1.62 0.00 -0.67 2.13 -1.26 -0.13 120.64 121.75 1b9r n GLU 8 Ca 0.00 -1.05 -0.16 0.00 0.66 0.00 0.00 57.16 56.61 1b9r n GLU 8 Cb 0.42 -1.48 -0.14 0.00 0.27 0.00 0.00 31.44 30.51 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 2.55 0.17 0.00 5.31 1.08 -1.96 -3.41 115.11 118.85 1b9r h GLN 9 Ca 0.00 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1b9r h GLN 9 Cb 0.59 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1b9r h GLN 9 CO 0.00 0.95 0.00 0.45 -0.95 0.00 0.00 178.83 179.28 1b9r n SER 10 N -3.33 0.25 -1.32 1.46 2.88 -1.26 -5.00 113.62 107.31 1b9r n SER 10 Ca -0.25 -1.01 -0.17 0.00 -1.33 0.00 0.00 58.87 56.11 1b9r n SER 10 Cb 1.05 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.44 1b9r n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b9r n GLY 11 N -0.01 1.57 0.00 0.46 0.00 0.81 -4.83 105.19 103.20 1b9r n GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.77 0.00 -3.02 1.61 2.13 -1.25 -4.58 120.64 113.75 1b9r n GLU 12 Ca -0.17 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.50 1b9r n GLU 12 Cb 0.62 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.34 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 -0.56 -1.00 -1.56 4.31 4.02 0.81 -4.69 117.16 118.49 1b9r n TYR 13 Ca 0.00 -3.17 -0.43 0.00 -0.01 0.00 0.00 57.90 54.29 1b9r n TYR 13 Cb 0.00 0.34 -0.01 0.00 -0.02 0.00 0.00 39.34 39.65 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 0.43 -0.54 -3.00 -0.72 0.00 -1.24 -0.80 120.51 114.64 1b9r n ALA 14 Ca 0.18 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1b9r n ALA 14 Cb 0.66 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.17 0.00 -3.55 0.00 3.14 0.70 -4.75 118.33 113.69 1b9r n VAL 15 Ca 0.10 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.38 1b9r n VAL 15 Cb 0.35 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.10 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 -0.43 0.22 6.55 1.11 -1.25 0.26 116.67 125.14 1b9r s ASP 16 Ca 0.00 -0.19 0.05 0.00 0.18 0.00 0.00 52.55 52.59 1b9r s ASP 16 Cb 0.00 0.59 -0.02 0.00 1.07 0.00 0.00 42.92 44.56 1b9r s ASP 16 CO 0.00 -1.00 0.19 0.00 1.18 0.00 0.00 175.17 175.54 1b9r n ALA 17 N -0.35 0.45 -3.71 5.23 0.00 -0.64 -4.68 120.51 116.80 1b9r n ALA 17 Ca -0.14 -1.27 -0.18 0.00 0.00 0.00 0.00 53.44 51.85 1b9r n ALA 17 Cb 0.64 1.03 -0.16 0.00 0.00 0.00 0.00 19.45 20.95 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 -2.87 0.28 -0.41 0.00 -0.21 -1.26 0.31 119.66 115.49 1b9r s GLN 18 Ca 0.26 0.11 -0.36 0.00 0.02 0.00 0.00 55.36 55.39 1b9r s GLN 18 Cb 0.01 -0.52 -0.16 0.00 1.00 0.00 0.00 33.01 33.34 1b9r s GLN 18 CO 0.18 -0.17 1.76 -0.25 -2.12 0.00 0.00 175.29 174.69 1b9r n ASP 19 N 4.36 0.62 0.00 5.90 9.92 -1.26 -0.36 116.55 135.73 1b9r n ASP 19 Ca -0.22 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1b9r n ASP 19 Cb 0.50 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 1b9r n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b9r n GLY 20 N 6.15 1.12 3.58 0.44 0.00 0.63 -4.86 105.19 112.25 1b9r n GLY 20 Ca 0.45 0.00 -0.26 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 2.08 0.34 1.61 -0.21 0.51 -4.64 119.66 119.35 1b9r s GLN 21 Ca 0.00 -1.30 0.06 0.00 0.02 0.00 0.00 55.36 54.13 1b9r s GLN 21 Cb 0.00 -2.15 0.06 0.00 1.00 0.00 0.00 33.01 31.92 1b9r s GLN 21 CO 0.00 0.42 0.46 -1.13 -2.12 0.00 0.00 175.29 172.92 1b9r n SER 22 N -0.10 1.27 -0.59 5.90 3.41 -1.19 0.29 113.62 122.61 1b9r n SER 22 Ca -0.10 -1.91 0.09 0.00 -0.26 0.00 0.00 58.87 56.69 1b9r n SER 22 Cb 0.56 -0.24 0.32 0.00 -0.26 0.00 0.00 64.21 64.59 1b9r n SER 22 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b9r n LEU 23 N 0.00 1.77 -0.09 1.04 7.99 -1.25 -3.00 117.00 123.46 1b9r n LEU 23 Ca 0.09 -0.78 -0.11 0.00 -0.01 0.00 0.00 56.01 55.20 1b9r n LEU 23 Cb 0.35 -0.14 -0.15 0.00 -0.11 0.00 0.00 43.42 43.37 1b9r n LEU 23 CO 0.23 0.39 -1.09 1.15 -1.51 0.00 0.00 177.39 176.56 1b9r n MET 24 N 0.41 0.68 0.10 3.23 0.00 -1.26 -4.04 117.12 116.22 1b9r n MET 24 Ca 0.15 0.07 -0.23 0.00 0.00 0.00 0.00 57.70 57.69 1b9r n MET 24 Cb 0.33 -1.56 -0.15 0.00 0.00 0.00 0.00 33.22 31.83 1b9r n MET 24 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 1b9r h GLU 25 N 0.00 0.43 -0.06 3.17 -0.00 -1.85 -3.33 114.58 112.95 1b9r h GLU 25 Ca -0.51 -0.74 0.04 0.00 -0.00 0.00 0.00 59.36 58.14 1b9r h GLU 25 Cb 2.16 0.28 -0.06 0.00 -0.00 0.00 0.00 28.75 31.12 1b9r h GLU 25 CO 0.02 1.35 -0.41 0.28 -0.00 0.00 0.00 179.01 180.25 1b9r h VAL 26 N 0.12 0.16 0.00 -1.06 2.07 -1.75 -2.72 116.25 113.07 1b9r h VAL 26 Ca -0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1b9r h VAL 26 Cb 2.12 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1b9r h VAL 26 CO 0.21 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.80 1b9r n ALA 27 N -2.89 0.00 -0.34 1.67 0.00 -1.25 0.35 120.51 118.05 1b9r n ALA 27 Ca -0.05 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.73 1b9r n ALA 27 Cb 0.36 0.16 0.72 0.00 0.00 0.00 0.00 19.45 20.70 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 0.40 0.00 0.00 1.35 -1.61 1.35 112.91 114.40 1b9r h THR 28 Ca 0.00 -0.02 -0.20 0.00 -0.55 0.00 0.00 66.41 65.64 1b9r h THR 28 Cb 0.00 0.35 -0.03 0.00 -1.73 0.00 0.00 68.15 66.74 1b9r h THR 28 CO 0.00 0.01 -0.99 1.56 -0.25 0.00 0.00 175.52 175.85 1b9r h GLN 29 N 0.05 0.00 -0.18 4.72 4.20 0.64 -3.23 115.11 121.31 1b9r h GLN 29 Ca 0.59 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.30 1b9r h GLN 29 Cb 2.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.02 1b9r h GLN 29 CO -0.05 0.92 0.00 0.09 -0.67 0.00 0.00 178.83 179.12 1b9r n ASN 30 N -3.32 1.52 0.00 1.46 3.02 0.45 -4.88 115.26 113.51 1b9r n ASN 30 Ca -0.01 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.81 1b9r n ASN 30 Cb 0.93 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 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 0.63 3.43 7.41 0.00 -0.13 -4.95 105.19 112.66 1b9r n GLY 31 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.46 0.00 -0.39 1.61 0.31 -0.51 -4.68 118.33 112.20 1b9r n VAL 32 Ca 0.00 -0.18 -0.24 0.00 -0.01 0.00 0.00 64.34 63.91 1b9r n VAL 32 Cb 0.04 -0.67 -0.05 0.00 -0.91 0.00 0.00 33.84 32.25 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 -2.09 0.40 -3.26 5.55 -0.02 -1.26 -4.50 135.00 129.83 1b9r n PRO 33 Ca 0.07 -0.94 -0.32 0.00 -2.02 0.00 0.00 63.50 60.29 1b9r n PRO 33 Cb 0.54 -2.34 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 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 4.40 -0.09 1.87 -1.23 0.00 -1.26 -4.77 105.19 104.10 1b9r n GLY 34 Ca 0.28 0.91 -0.11 0.00 0.00 0.00 0.00 46.02 47.10 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 -0.60 2.63 -2.55 -0.61 2.08 -1.26 -4.90 119.36 114.15 1b9r n ILE 35 Ca -0.12 -1.40 -0.22 0.00 0.56 0.00 0.00 62.75 61.57 1b9r n ILE 35 Cb 0.59 -1.59 0.05 0.00 -0.75 0.00 0.00 39.64 37.95 1b9r n ILE 35 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1b9r s VAL 36 N -0.68 2.51 0.31 1.39 -7.23 -1.26 -4.74 120.40 110.69 1b9r s VAL 36 Ca 0.33 -0.58 0.05 0.00 -1.81 0.00 0.00 61.98 59.96 1b9r s VAL 36 Cb 0.20 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1b9r s VAL 36 CO -0.03 0.00 0.28 0.00 -0.31 0.00 0.00 175.10 175.04 1b9r s ALA 37 N -2.92 1.60 -0.25 1.32 0.00 -1.26 -4.66 121.76 115.60 1b9r s ALA 37 Ca 0.59 -1.94 0.23 0.00 0.00 0.00 0.00 51.96 50.84 1b9r s ALA 37 Cb -0.10 1.43 -0.05 0.00 0.00 0.00 0.00 23.12 24.40 1b9r s ALA 37 CO 0.41 -0.67 0.93 -0.85 0.00 0.00 0.00 175.76 175.58 1b9r n GLU 38 N -0.56 0.57 0.00 0.00 0.28 -1.26 -3.93 120.64 115.74 1b9r n GLU 38 Ca 0.06 0.04 0.12 0.00 -0.16 0.00 0.00 57.16 57.22 1b9r n GLU 38 Cb 0.63 -1.73 0.22 0.00 1.43 0.00 0.00 31.44 31.98 1b9r n GLU 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1b9r n GLY 40 N 1.45 -0.39 1.08 0.00 0.00 -1.25 0.21 105.19 106.29 1b9r n GLY 40 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.26 0.75 0.75 -0.02 0.00 -1.26 -4.93 105.19 99.21 1b9r n GLY 41 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1b9r n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1b9r n SER 42 N 0.00 2.10 -3.84 1.61 2.88 0.57 -4.92 113.62 112.02 1b9r n SER 42 Ca 0.00 -2.15 -0.37 0.00 -1.33 0.00 0.00 58.87 55.01 1b9r n SER 42 Cb 0.00 -0.36 0.03 0.00 -0.75 0.00 0.00 64.21 63.14 1b9r n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b9r n VAL 44 N -4.52 0.30 -3.85 0.00 0.31 -1.26 -5.11 118.33 104.21 1b9r n VAL 44 Ca -0.10 -1.31 -0.06 0.00 -0.01 0.00 0.00 64.34 62.85 1b9r n VAL 44 Cb 0.58 1.00 0.02 0.00 -0.91 0.00 0.00 33.84 34.54 1b9r n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b9r n ALA 46 N -0.62 1.06 1.21 0.00 0.00 -1.26 -4.81 120.51 116.09 1b9r n ALA 46 Ca -0.06 -0.53 0.10 0.00 0.00 0.00 0.00 53.44 52.95 1b9r n ALA 46 Cb 0.60 -0.02 0.59 0.00 0.00 0.00 0.00 19.45 20.62 1b9r n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1b9r n THR 47 N -0.01 0.12 -0.65 0.00 -2.24 -1.26 -2.70 114.28 107.54 1b9r n THR 47 Ca 0.00 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1b9r n THR 47 Cb 0.50 -0.70 0.30 0.00 -2.10 0.00 0.00 70.33 68.34 1b9r n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b9r n ARG 49 N 0.21 0.11 -3.62 0.00 3.00 -1.10 -3.62 116.66 111.64 1b9r n ARG 49 Ca 0.29 -1.05 -0.31 0.00 -0.00 0.00 0.00 57.85 56.79 1b9r n ARG 49 Cb 1.14 -2.94 -0.04 0.00 0.00 0.00 0.00 32.46 30.62 1b9r n ARG 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1b9r s ILE 50 N 11.42 5.14 -0.22 5.15 -1.09 -1.23 -3.98 121.20 136.39 1b9r s ILE 50 Ca 0.63 0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 59.06 1b9r s ILE 50 Cb -0.09 -3.65 0.06 0.00 -1.58 0.00 0.00 42.46 37.21 1b9r s ILE 50 CO 0.15 -0.03 -0.00 -1.61 -1.23 0.00 0.00 174.94 172.21 1b9r s GLU 51 N -2.84 1.12 0.27 2.79 2.02 0.18 -2.23 118.70 120.00 1b9r s GLU 51 Ca 0.42 -0.72 -0.29 0.00 0.02 0.00 0.00 54.97 54.39 1b9r s GLU 51 Cb -0.12 -2.34 -0.10 0.00 0.10 0.00 0.00 34.13 31.67 1b9r s GLU 51 CO 0.25 -0.63 1.32 0.42 0.02 0.00 0.00 175.26 176.64 1b9r s ILE 52 N 1.62 2.91 1.16 -1.63 -1.09 -0.83 0.27 121.20 123.61 1b9r s ILE 52 Ca -0.03 0.82 -0.17 0.00 -2.23 0.00 0.00 60.65 59.04 1b9r s ILE 52 Cb -0.18 -3.52 0.23 0.00 -1.58 0.00 0.00 42.46 37.41 1b9r s ILE 52 CO -0.08 0.16 0.48 -1.84 -1.23 0.00 0.00 174.94 172.44 1b9r n GLU 53 N 1.76 -2.97 -0.59 2.79 0.00 -0.28 -4.67 120.64 116.69 1b9r n GLU 53 Ca 0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 57.16 56.30 1b9r n GLU 53 Cb 0.42 -1.66 0.19 0.00 0.00 0.00 0.00 31.44 30.39 1b9r n GLU 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1b9r n ASP 54 N -2.81 3.64 -0.03 -1.84 8.00 -1.26 -3.63 116.55 118.63 1b9r n ASP 54 Ca 0.07 -2.68 -0.02 0.00 0.71 0.00 0.00 54.79 52.88 1b9r n ASP 54 Cb 0.46 -0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 1b9r n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b9r n ALA 55 N 0.07 1.95 0.03 2.24 0.00 -1.26 -4.70 120.51 118.84 1b9r n ALA 55 Ca 0.23 -0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.34 1b9r n ALA 55 Cb 0.94 0.02 0.10 0.00 0.00 0.00 0.00 19.45 20.51 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 -2.12 0.26 -0.04 0.00 7.02 -1.24 -4.50 117.44 116.83 1b9r n TRP 56 Ca -0.08 -0.33 -0.07 0.00 -1.02 0.00 0.00 57.50 56.00 1b9r n TRP 56 Cb 0.58 -0.02 0.12 0.00 -2.42 0.00 0.00 31.31 29.57 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 1.78 1.28 -0.00 -0.99 2.07 -1.84 2.90 116.25 121.44 1b9r h VAL 57 Ca 0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1b9r h VAL 57 Cb 0.60 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1b9r h VAL 57 CO 0.00 0.45 -0.02 -0.62 0.02 0.00 0.00 177.57 177.40 1b9r n GLU 58 N -4.09 0.63 -0.09 1.57 1.02 -1.26 -0.93 120.64 117.49 1b9r n GLU 58 Ca -0.01 -0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 1b9r n GLU 58 Cb 0.45 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.14 1.13 -0.08 -3.67 5.41 0.22 -4.77 119.36 116.47 1b9r n ILE 59 Ca 0.17 -0.55 -0.08 0.00 1.00 0.00 0.00 62.75 63.28 1b9r n ILE 59 Cb 0.22 -0.92 -0.03 0.00 -0.71 0.00 0.00 39.64 38.19 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 -2.86 1.44 -3.46 1.39 0.31 0.95 -4.40 118.33 111.69 1b9r n VAL 60 Ca -0.31 0.17 -0.21 0.00 -0.01 0.00 0.00 64.34 63.98 1b9r n VAL 60 Cb 0.95 -2.33 0.04 0.00 -0.91 0.00 0.00 33.84 31.58 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 1.57 -1.12 0.00 2.92 0.00 -0.11 -4.96 105.19 103.50 1b9r n GLY 61 Ca -0.12 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1b9r n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b9r n GLU 62 N -3.33 0.00 -1.35 1.61 1.02 -1.26 -4.83 120.64 112.50 1b9r n GLU 62 Ca -0.09 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.74 1b9r n GLU 62 Cb 0.59 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.09 1b9r n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b9r s ALA 63 N -2.59 2.32 0.70 0.62 0.00 -1.26 -4.95 121.76 116.60 1b9r s ALA 63 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 1b9r s ALA 63 Cb 0.00 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 19.96 1b9r s ALA 63 CO 0.00 -1.66 0.49 0.27 0.00 0.00 0.00 175.76 174.86 1b9r n ASN 64 N -3.44 0.39 0.00 0.00 6.94 -1.26 -4.87 115.26 113.02 1b9r n ASN 64 Ca 0.08 -1.39 0.04 0.00 -0.02 0.00 0.00 54.58 53.29 1b9r n ASN 64 Cb 0.53 -0.34 0.22 0.00 -2.36 0.00 0.00 39.78 37.84 1b9r n ASN 64 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1b9r n PRO 65 N -1.96 0.32 0.02 -0.53 -0.02 -1.26 -2.46 135.00 129.12 1b9r n PRO 65 Ca 0.07 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.38 1b9r n PRO 65 Cb 0.26 -1.36 -0.14 0.00 -0.02 0.00 0.00 33.50 32.23 1b9r n PRO 65 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1b9r h ASP 66 N 0.00 0.32 0.20 2.55 5.19 -1.97 -2.88 116.42 119.83 1b9r h ASP 66 Ca 0.00 -0.62 -0.35 0.00 -0.62 0.00 0.00 57.03 55.44 1b9r h ASP 66 Cb 0.00 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1b9r h ASP 66 CO 0.00 1.54 -1.79 -0.08 -3.12 0.00 0.00 179.24 175.79 1b9r h GLU 67 N 0.06 0.36 0.00 3.56 4.22 -1.85 -2.78 114.58 118.15 1b9r h GLU 67 Ca -0.34 -0.61 -0.06 0.00 0.08 0.00 0.00 59.36 58.42 1b9r h GLU 67 Cb 2.03 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 31.50 1b9r h GLU 67 CO 0.11 1.28 -0.31 -0.97 -2.18 0.00 0.00 179.01 176.95 1b9r h ASN 68 N 0.10 0.00 0.65 1.04 -1.24 -1.68 -1.46 115.58 112.99 1b9r h ASN 68 Ca -0.36 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.38 1b9r h ASN 68 Cb 2.08 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 41.12 1b9r h ASN 68 CO 0.16 0.31 -1.34 -0.78 -1.29 0.00 0.00 177.43 174.48 1b9r h ASP 69 N 0.00 0.23 1.15 1.15 1.82 -1.61 -2.43 116.42 116.72 1b9r h ASP 69 Ca -0.00 -0.29 -0.06 0.00 -0.39 0.00 0.00 57.03 56.29 1b9r h ASP 69 Cb 0.66 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1b9r h ASP 69 CO 0.04 1.24 -0.30 0.17 -1.61 0.00 0.00 179.24 178.77 1b9r h LEU 70 N 0.04 0.00 0.14 2.28 8.10 -1.21 -2.88 115.31 121.78 1b9r h LEU 70 Ca -0.16 0.00 -0.34 0.00 0.11 0.00 0.00 57.88 57.49 1b9r h LEU 70 Cb 1.93 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 42.15 1b9r h LEU 70 CO 0.15 0.30 -1.74 0.25 -4.11 0.00 0.00 178.44 173.29 1b9r h LEU 71 N 0.00 0.47 -1.64 0.17 7.12 -1.33 -3.33 115.31 116.76 1b9r h LEU 71 Ca -0.00 -0.77 -0.04 0.00 0.13 0.00 0.00 57.88 57.20 1b9r h LEU 71 Cb 0.96 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.93 1b9r h LEU 71 CO 0.04 1.66 -0.18 1.56 -0.13 0.00 0.00 178.44 181.39 1b9r h GLN 72 N 0.08 0.00 -0.10 1.25 1.08 -1.43 -2.15 115.11 113.85 1b9r h GLN 72 Ca -0.33 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.90 1b9r h GLN 72 Cb 2.06 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.49 1b9r h GLN 72 CO 0.15 0.18 0.41 1.03 -0.95 0.00 0.00 178.83 179.65 1b9r h SER 73 N 0.00 0.00 -0.31 1.46 0.87 -1.62 0.19 113.55 114.15 1b9r h SER 73 Ca -0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1b9r h SER 73 Cb 0.32 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1b9r h SER 73 CO 0.02 0.00 -0.46 0.71 -0.53 0.00 0.00 176.83 176.57 1b9r h THR 74 N 0.00 1.28 0.00 2.23 1.35 -1.61 -3.48 112.91 112.69 1b9r h THR 74 Ca 0.05 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 1b9r h THR 74 Cb 0.87 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1b9r h THR 74 CO -0.00 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 1b9r n GLY 75 N 0.30 1.58 3.17 5.82 0.00 0.68 -5.10 105.19 111.64 1b9r n GLY 75 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.10 2.41 0.94 1.61 2.02 -1.26 -5.10 118.70 119.21 1b9r s GLU 76 Ca 0.00 -1.29 -0.13 0.00 0.02 0.00 0.00 54.97 53.58 1b9r s GLU 76 Cb 0.00 -3.19 0.04 0.00 0.10 0.00 0.00 34.13 31.07 1b9r s GLU 76 CO 0.00 -0.64 0.45 -2.30 0.02 0.00 0.00 175.26 172.80 1b9r n PRO 77 N 4.62 -0.26 -2.80 0.39 -0.02 -1.26 -4.80 135.00 130.87 1b9r n PRO 77 Ca -0.13 -0.03 -0.08 0.00 -2.02 0.00 0.00 63.50 61.24 1b9r n PRO 77 Cb 0.43 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 1b9r n PRO 77 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1b9r n MET 78 N -1.78 0.72 -3.44 -0.52 2.81 -1.26 -5.14 117.12 108.52 1b9r n MET 78 Ca 0.07 -1.15 -0.15 0.00 -1.81 0.00 0.00 57.70 54.66 1b9r n MET 78 Cb 0.53 0.67 -0.04 0.00 -0.71 0.00 0.00 33.22 33.67 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 -0.29 0.00 -2.58 2.03 -2.24 -1.26 -5.08 114.28 104.85 1b9r n THR 79 Ca -0.01 -1.42 -0.42 0.00 -2.27 0.00 0.00 64.05 59.93 1b9r n THR 79 Cb 0.20 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 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 -2.65 3.48 0.00 6.98 0.00 -1.26 -2.98 121.76 125.33 1b9r s ALA 80 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1b9r s ALA 80 Cb 0.01 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1b9r s ALA 80 CO 0.08 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.51 1b9r n GLY 81 N 3.25 0.91 3.62 0.00 0.00 -1.26 -4.81 105.19 106.89 1b9r n GLY 81 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1b9r n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b9r s THR 82 N -2.81 4.23 -0.19 2.61 2.01 -1.16 -1.97 115.64 118.36 1b9r s THR 82 Ca 0.00 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.05 1b9r s THR 82 Cb 0.00 -4.34 0.14 0.00 0.01 0.00 0.00 72.50 68.30 1b9r s THR 82 CO 0.00 -0.64 1.05 -0.13 -0.69 0.00 0.00 174.62 174.21 1b9r s ARG 83 N 4.20 0.51 0.50 4.92 0.52 -0.95 -4.86 118.95 123.79 1b9r s ARG 83 Ca 0.52 0.15 -0.23 0.00 -0.52 0.00 0.00 55.73 55.65 1b9r s ARG 83 Cb -0.13 0.24 -0.06 0.00 0.52 0.00 0.00 34.95 35.52 1b9r s ARG 83 CO 0.24 -0.15 1.38 -0.48 0.02 0.00 0.00 175.30 176.31 1b9r s LEU 84 N -1.00 3.97 -0.08 2.53 0.05 -1.26 -3.53 118.68 119.35 1b9r s LEU 84 Ca 0.00 2.81 0.13 0.00 0.05 0.00 0.00 54.13 57.12 1b9r s LEU 84 Cb -0.01 -4.13 -0.23 0.00 -2.05 0.00 0.00 46.19 39.77 1b9r s LEU 84 CO -0.00 -1.38 0.52 -1.20 -0.55 0.00 0.00 176.35 173.74 1b9r n SER 85 N -0.65 0.74 0.23 1.48 7.64 -1.24 -4.15 113.62 117.67 1b9r n SER 85 Ca 0.08 0.32 0.13 0.00 1.01 0.00 0.00 58.87 60.41 1b9r n SER 85 Cb 0.44 0.13 0.49 0.00 -1.01 0.00 0.00 64.21 64.25 1b9r n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b9r n GLN 87 N -2.92 2.90 -4.01 0.00 7.27 -1.26 -4.88 117.38 114.48 1b9r n GLN 87 Ca 0.03 -1.94 -0.33 0.00 0.07 0.00 0.00 57.00 54.83 1b9r n GLN 87 Cb 0.77 -1.22 -0.15 0.00 2.41 0.00 0.00 30.24 32.05 1b9r n GLN 87 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1b9r s VAL 88 N -1.03 2.46 0.00 1.69 1.01 0.46 -4.75 120.40 120.24 1b9r s VAL 88 Ca 0.18 -1.61 0.03 0.00 0.00 0.00 0.00 61.98 60.58 1b9r s VAL 88 Cb 0.10 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1b9r s VAL 88 CO 0.12 -0.10 -0.05 -0.36 0.00 0.00 0.00 175.10 174.71 1b9r s PHE 89 N 1.14 2.95 0.90 5.22 0.08 -1.26 -3.14 117.98 123.87 1b9r s PHE 89 Ca -0.06 0.00 -0.12 0.00 0.12 0.00 0.00 56.93 56.86 1b9r s PHE 89 Cb -0.20 -1.63 0.06 0.00 -0.57 0.00 0.00 43.02 40.69 1b9r s PHE 89 CO -0.04 0.40 0.71 -0.89 -0.10 0.00 0.00 175.22 175.30 1b9r n ILE 90 N 1.51 0.46 -3.59 0.64 2.08 0.83 -4.59 119.36 116.69 1b9r n ILE 90 Ca -0.15 -0.17 -0.05 0.00 0.56 0.00 0.00 62.75 62.94 1b9r n ILE 90 Cb 0.53 -0.80 -0.02 0.00 -0.75 0.00 0.00 39.64 38.60 1b9r n ILE 90 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1b9r s ASP 91 N -2.13 -0.23 0.00 4.38 -4.77 -1.26 -0.26 116.67 112.40 1b9r s ASP 91 Ca 0.62 -0.10 0.00 0.00 -3.30 0.00 0.00 52.55 49.77 1b9r s ASP 91 Cb -0.24 0.32 0.00 0.00 -1.09 0.00 0.00 42.92 41.90 1b9r s ASP 91 CO 0.62 -0.54 0.28 -2.65 0.70 0.00 0.00 175.17 173.58 1b9r n PRO 92 N -0.28 0.20 0.00 2.11 -0.02 -1.26 -1.04 135.00 134.70 1b9r n PRO 92 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1b9r n PRO 92 Cb 0.61 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 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 1.27 3.18 -2.39 2.55 3.41 -1.26 -4.79 113.62 115.59 1b9r n SER 93 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1b9r n SER 93 Cb 0.10 0.30 0.01 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.50 3.38 -3.21 4.33 2.81 -0.21 -4.77 117.12 117.94 1b9r n MET 94 Ca 0.00 -4.25 -0.39 0.00 -1.81 0.00 0.00 57.70 51.24 1b9r n MET 94 Cb 0.32 -2.26 -0.06 0.00 -0.71 0.00 0.00 33.22 30.51 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 -3.23 6.67 -0.34 7.83 1.01 -1.24 -3.42 116.67 123.95 1b9r s ASP 95 Ca 0.50 0.80 0.00 0.00 0.71 0.00 0.00 52.55 54.56 1b9r s ASP 95 Cb 0.41 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 42.02 1b9r s ASP 95 CO -0.14 -0.15 0.00 0.61 0.21 0.00 0.00 175.17 175.70 1b9r n GLY 96 N 3.62 0.31 3.81 0.21 0.00 0.61 -4.71 105.19 109.04 1b9r n GLY 96 Ca -0.04 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.04 3.28 -0.08 0.99 -0.00 -0.67 -4.62 118.68 116.55 1b9r s LEU 97 Ca 0.00 1.70 0.02 0.00 -0.00 0.00 0.00 54.13 55.85 1b9r s LEU 97 Cb 0.00 -4.51 -0.02 0.00 -0.00 0.00 0.00 46.19 41.66 1b9r s LEU 97 CO 0.00 -1.34 -0.13 -0.63 -0.00 0.00 0.00 176.35 174.25 1b9r s ILE 98 N -2.80 3.16 0.13 1.48 1.09 -1.26 0.41 121.20 123.42 1b9r s ILE 98 Ca 0.60 -0.67 0.08 0.00 -1.10 0.00 0.00 60.65 59.56 1b9r s ILE 98 Cb -0.15 -2.27 -0.04 0.00 -1.06 0.00 0.00 42.46 38.94 1b9r s ILE 98 CO 0.48 0.57 -0.18 -0.69 -0.10 0.00 0.00 174.94 175.01 1b9r s VAL 99 N -0.41 1.68 0.24 2.92 1.01 1.44 -1.13 120.40 126.14 1b9r s VAL 99 Ca 0.05 -1.74 0.03 0.00 0.00 0.00 0.00 61.98 60.31 1b9r s VAL 99 Cb -0.12 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1b9r s VAL 99 CO 0.02 -0.25 0.03 -0.13 0.00 0.00 0.00 175.10 174.77 1b9r s ARG 100 N -2.46 1.34 -0.18 2.72 0.52 0.76 0.15 118.95 121.81 1b9r s ARG 100 Ca 0.11 -1.69 0.01 0.00 -0.52 0.00 0.00 55.73 53.64 1b9r s ARG 100 Cb -0.07 -0.46 0.03 0.00 0.52 0.00 0.00 34.95 34.96 1b9r s ARG 100 CO 0.05 -0.17 -0.15 0.08 0.02 0.00 0.00 175.30 175.13 1b9r s VAL 101 N -3.55 1.80 1.01 3.52 1.01 -0.02 -0.65 120.40 123.52 1b9r s VAL 101 Ca 0.31 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1b9r s VAL 101 Cb 0.07 -1.72 0.24 0.00 0.00 0.00 0.00 36.38 34.97 1b9r s VAL 101 CO 0.10 0.39 1.12 -0.81 0.00 0.00 0.00 175.10 175.89 1b9r n PRO 102 N 4.68 -2.05 -3.64 2.72 -0.04 -1.26 -4.62 135.00 130.79 1b9r n PRO 102 Ca -0.18 -1.75 -0.02 0.00 -0.04 0.00 0.00 63.50 61.51 1b9r n PRO 102 Cb 0.49 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 1b9r n PRO 102 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b9r s LEU 103 N 0.00 -0.04 -0.53 1.53 1.43 -1.26 -4.98 118.68 114.83 1b9r s LEU 103 Ca 0.67 0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 53.62 1b9r s LEU 103 Cb -0.04 1.10 -0.15 0.00 0.03 0.00 0.00 46.19 47.13 1b9r s LEU 103 CO 0.49 -0.05 1.76 -2.65 0.23 0.00 0.00 176.35 176.13 1b9r n PRO 104 N 0.19 1.11 0.00 1.29 -0.02 -1.26 -5.25 135.00 131.06 1b9r n PRO 104 Ca 0.03 -1.38 0.00 0.00 -2.02 0.00 0.00 63.50 60.13 1b9r n PRO 104 Cb 0.57 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1b9r n PRO 104 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48