#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 1.97 0.22 -0.52 3.52 -1.26 -1.86 118.95 121.03 1b9r s ARG 2 Ca 0.00 -1.75 -0.22 0.00 -0.13 0.00 0.00 55.73 53.63 1b9r s ARG 2 Cb 0.00 -1.88 0.04 0.00 -1.56 0.00 0.00 34.95 31.56 1b9r s ARG 2 CO 0.00 0.20 0.66 0.08 -0.81 0.00 0.00 175.30 175.44 1b9r s VAL 3 N -2.51 0.00 -0.25 7.11 1.01 0.69 0.26 120.40 126.71 1b9r s VAL 3 Ca 0.33 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1b9r s VAL 3 Cb -0.01 -1.51 0.13 0.00 0.00 0.00 0.00 36.38 34.99 1b9r s VAL 3 CO 0.18 0.00 0.35 -0.69 0.00 0.00 0.00 175.10 174.94 1b9r s VAL 4 N -3.83 -0.54 0.66 2.92 1.01 0.29 0.26 120.40 121.17 1b9r s VAL 4 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1b9r s VAL 4 Cb -0.04 -0.82 0.08 0.00 0.00 0.00 0.00 36.38 35.60 1b9r s VAL 4 CO -0.03 -0.18 0.93 -0.36 0.00 0.00 0.00 175.10 175.46 1b9r s PHE 5 N 2.49 2.39 0.18 5.22 0.40 -0.30 0.40 117.98 128.75 1b9r s PHE 5 Ca 0.11 0.02 -0.19 0.00 -0.60 0.00 0.00 56.93 56.27 1b9r s PHE 5 Cb -0.15 -3.00 0.04 0.00 0.51 0.00 0.00 43.02 40.42 1b9r s PHE 5 CO -0.18 -1.36 0.55 0.42 0.70 0.00 0.00 175.22 175.35 1b9r s ILE 6 N -3.05 0.02 0.00 0.64 1.09 0.72 0.29 121.20 120.91 1b9r s ILE 6 Ca 0.62 -0.52 0.00 0.00 -1.10 0.00 0.00 60.65 59.65 1b9r s ILE 6 Cb -0.08 -1.38 0.00 0.00 -1.06 0.00 0.00 42.46 39.94 1b9r s ILE 6 CO 0.42 -0.09 0.00 -0.67 -0.10 0.00 0.00 174.94 174.50 1b9r n ASP 7 N -0.35 0.00 -0.00 3.58 -0.08 -1.26 -2.08 116.55 116.35 1b9r n ASP 7 Ca -0.12 -0.61 0.10 0.00 -1.51 0.00 0.00 54.79 52.64 1b9r n ASP 7 Cb 0.63 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.96 1b9r n ASP 7 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1b9r n GLU 8 N 0.00 0.14 -0.15 -0.67 -0.00 -1.26 -1.07 120.64 117.63 1b9r n GLU 8 Ca 0.00 -0.04 0.08 0.00 -0.00 0.00 0.00 57.16 57.20 1b9r n GLU 8 Cb 0.00 -1.50 0.25 0.00 -0.00 0.00 0.00 31.44 30.18 1b9r n GLU 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1b9r n GLN 9 N -1.66 1.82 0.00 3.44 1.13 -1.26 -4.53 117.38 116.32 1b9r n GLN 9 Ca 0.02 -1.25 0.00 0.00 -1.94 0.00 0.00 57.00 53.83 1b9r n GLN 9 Cb 0.38 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.40 1b9r n GLN 9 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1b9r n SER 10 N 0.49 0.00 0.00 1.08 2.88 -1.26 -5.01 113.62 111.81 1b9r n SER 10 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1b9r n SER 10 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 -0.33 0.43 0.00 0.46 0.00 -0.23 -4.94 105.19 100.59 1b9r n GLY 11 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.93 0.00 -3.01 1.61 2.13 -1.26 -4.56 120.64 112.61 1b9r n GLU 12 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1b9r n GLU 12 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 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 -0.73 -1.51 4.31 4.02 0.85 -4.73 117.16 118.82 1b9r n TYR 13 Ca 0.00 -3.22 -0.44 0.00 -0.01 0.00 0.00 57.90 54.23 1b9r n TYR 13 Cb 0.00 0.24 -0.01 0.00 -0.02 0.00 0.00 39.34 39.55 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 0.26 -1.18 -3.00 -0.72 0.00 -1.24 -1.16 120.51 113.48 1b9r n ALA 14 Ca 0.18 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1b9r n ALA 14 Cb 0.69 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.22 0.00 -3.50 0.00 3.14 0.72 -4.75 118.33 113.73 1b9r n VAL 15 Ca 0.12 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.39 1b9r n VAL 15 Cb 0.33 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.09 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 -0.48 0.17 6.55 1.11 -1.25 0.25 116.67 125.02 1b9r s ASP 16 Ca 0.00 -0.11 0.04 0.00 0.18 0.00 0.00 52.55 52.66 1b9r s ASP 16 Cb 0.00 0.59 -0.01 0.00 1.07 0.00 0.00 42.92 44.56 1b9r s ASP 16 CO 0.00 -0.98 0.15 0.00 1.18 0.00 0.00 175.17 175.52 1b9r n ALA 17 N -0.36 0.36 -3.74 5.23 0.00 -0.78 -4.68 120.51 116.54 1b9r n ALA 17 Ca -0.16 -0.99 -0.16 0.00 0.00 0.00 0.00 53.44 52.13 1b9r n ALA 17 Cb 0.64 0.80 -0.16 0.00 0.00 0.00 0.00 19.45 20.73 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 -2.69 -0.03 -0.37 0.00 -0.21 -1.26 0.28 119.66 115.37 1b9r s GLN 18 Ca 0.20 0.26 -0.33 0.00 0.02 0.00 0.00 55.36 55.51 1b9r s GLN 18 Cb 0.01 -0.30 -0.14 0.00 1.00 0.00 0.00 33.01 33.58 1b9r s GLN 18 CO 0.14 -0.21 1.49 -0.25 -2.12 0.00 0.00 175.29 174.34 1b9r n ASP 19 N 4.45 0.65 0.00 5.90 8.00 -1.26 -1.15 116.55 133.14 1b9r n ASP 19 Ca -0.22 0.61 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1b9r n ASP 19 Cb 0.50 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 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 4.89 1.00 3.34 0.44 0.00 0.20 -4.84 105.19 110.22 1b9r n GLY 20 Ca 0.36 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 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 1.52 0.42 1.61 -0.21 -0.30 -4.67 119.66 118.03 1b9r s GLN 21 Ca 0.00 -1.16 0.02 0.00 0.02 0.00 0.00 55.36 54.24 1b9r s GLN 21 Cb 0.00 -1.80 0.08 0.00 1.00 0.00 0.00 33.01 32.29 1b9r s GLN 21 CO 0.00 0.45 0.58 -1.13 -2.12 0.00 0.00 175.29 173.06 1b9r n SER 22 N 1.43 1.00 -0.47 5.90 3.41 -1.20 0.27 113.62 123.95 1b9r n SER 22 Ca -0.18 -1.79 0.03 0.00 -0.26 0.00 0.00 58.87 56.68 1b9r n SER 22 Cb 0.53 -0.35 0.10 0.00 -0.26 0.00 0.00 64.21 64.22 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 1.32 -0.08 1.04 7.99 -1.10 -3.13 117.00 123.05 1b9r n LEU 23 Ca 0.10 -0.66 -0.04 0.00 -0.01 0.00 0.00 56.01 55.39 1b9r n LEU 23 Cb 0.37 -0.19 -0.16 0.00 -0.11 0.00 0.00 43.42 43.32 1b9r n LEU 23 CO 0.24 0.30 -1.05 1.15 -1.51 0.00 0.00 177.39 176.53 1b9r n MET 24 N 0.15 0.72 -0.00 3.23 0.00 -1.17 -4.17 117.12 115.87 1b9r n MET 24 Ca 0.07 -0.06 -0.21 0.00 0.00 0.00 0.00 57.70 57.50 1b9r n MET 24 Cb 0.23 -1.51 -0.14 0.00 0.00 0.00 0.00 33.22 31.80 1b9r n MET 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1b9r n GLU 25 N -2.61 0.75 -0.00 3.17 1.02 -1.20 -4.11 120.64 117.64 1b9r n GLU 25 Ca -0.25 0.29 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 1b9r n GLU 25 Cb 1.00 -1.71 -0.06 0.00 -0.02 0.00 0.00 31.44 30.64 1b9r n GLU 25 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1b9r h VAL 26 N -0.01 0.13 0.00 2.62 2.07 -1.77 -2.54 116.25 116.75 1b9r h VAL 26 Ca -0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1b9r h VAL 26 Cb 1.98 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1b9r h VAL 26 CO 0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1b9r n ALA 27 N -2.94 0.00 -0.33 1.67 0.00 -1.26 0.35 120.51 118.00 1b9r n ALA 27 Ca -0.04 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.74 1b9r n ALA 27 Cb 0.36 0.15 0.72 0.00 0.00 0.00 0.00 19.45 20.69 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 0.41 0.02 0.00 1.35 -1.66 1.47 112.91 114.50 1b9r h THR 28 Ca 0.00 -0.02 -0.21 0.00 -0.55 0.00 0.00 66.41 65.63 1b9r h THR 28 Cb 0.00 0.35 -0.02 0.00 -1.73 0.00 0.00 68.15 66.75 1b9r h THR 28 CO 0.00 0.01 -1.00 1.56 -0.25 0.00 0.00 175.52 175.84 1b9r h GLN 29 N 0.05 0.07 -0.18 4.72 4.20 0.65 -3.15 115.11 121.47 1b9r h GLN 29 Ca 0.58 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1b9r h GLN 29 Cb 2.20 0.04 0.00 0.00 0.30 0.00 0.00 27.48 30.02 1b9r h GLN 29 CO -0.05 1.00 0.00 0.09 -0.67 0.00 0.00 178.83 179.20 1b9r n ASN 30 N -3.46 1.43 0.00 1.46 3.02 0.48 -4.87 115.26 113.32 1b9r n ASN 30 Ca -0.02 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 1b9r n ASN 30 Cb 0.91 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.97 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 1.04 1.62 3.52 7.41 0.00 0.25 -4.98 105.19 114.06 1b9r n GLY 31 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 2.23 -0.29 1.61 0.31 -0.20 -4.70 118.33 115.29 1b9r n VAL 32 Ca 0.00 -0.50 0.22 0.00 -0.01 0.00 0.00 64.34 64.05 1b9r n VAL 32 Cb 0.00 -0.81 0.35 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.22 -0.01 -3.27 5.55 -0.01 -1.26 -4.31 135.00 131.92 1b9r n PRO 33 Ca 0.11 0.53 -0.12 0.00 -0.01 0.00 0.00 63.50 64.01 1b9r n PRO 33 Cb 0.41 -1.14 0.04 0.00 -0.01 0.00 0.00 33.50 32.79 1b9r n PRO 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1b9r n GLY 34 N -1.35 -1.18 1.88 -1.23 0.00 -1.26 -4.87 105.19 97.17 1b9r n GLY 34 Ca 0.20 0.53 -0.17 0.00 0.00 0.00 0.00 46.02 46.58 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 -2.76 2.74 -2.29 -0.61 2.08 -1.26 -4.84 119.36 112.41 1b9r n ILE 35 Ca -0.06 -1.62 0.00 0.00 0.56 0.00 0.00 62.75 61.63 1b9r n ILE 35 Cb 0.57 -1.29 0.00 0.00 -0.75 0.00 0.00 39.64 38.18 1b9r n ILE 35 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1b9r n VAL 36 N 0.28 0.00 -0.90 1.39 0.24 -1.26 -3.64 118.33 114.42 1b9r n VAL 36 Ca 0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 1b9r n VAL 36 Cb 0.62 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 1b9r n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b9r n ALA 37 N -3.00 0.00 -0.96 2.33 0.00 -1.26 -4.98 120.51 112.64 1b9r n ALA 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b9r n ALA 37 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1b9r n ALA 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1b9r n GLU 38 N -2.90 0.00 0.05 0.00 -0.58 -1.26 -4.54 120.64 111.41 1b9r n GLU 38 Ca 0.00 0.02 -0.03 0.00 -0.42 0.00 0.00 57.16 56.73 1b9r n GLU 38 Cb 0.00 -0.69 -0.08 0.00 -0.57 0.00 0.00 31.44 30.09 1b9r n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b9r n GLY 40 N 1.39 -1.22 2.68 0.00 0.00 -1.26 -3.91 105.19 102.87 1b9r n GLY 40 Ca -0.07 0.94 -0.18 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.64 -0.33 0.00 -0.02 0.00 -1.26 -4.88 105.19 98.07 1b9r n GLY 41 Ca 0.08 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.09 1b9r n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1b9r n SER 42 N -1.68 2.59 -3.82 1.61 7.64 -1.25 -5.02 113.62 113.69 1b9r n SER 42 Ca -0.12 -0.07 -0.26 0.00 1.01 0.00 0.00 58.87 59.43 1b9r n SER 42 Cb 0.62 1.39 0.03 0.00 -1.01 0.00 0.00 64.21 65.23 1b9r n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b9r n VAL 44 N -4.48 0.32 -4.34 0.00 3.14 -1.26 -5.06 118.33 106.65 1b9r n VAL 44 Ca -0.14 -0.55 -0.17 0.00 -2.96 0.00 0.00 64.34 60.51 1b9r n VAL 44 Cb 0.61 0.97 -0.10 0.00 -1.06 0.00 0.00 33.84 34.25 1b9r n VAL 44 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b9r n ALA 46 N -0.47 2.73 0.64 0.00 0.00 -1.26 -4.71 120.51 117.45 1b9r n ALA 46 Ca -0.03 -2.54 0.12 0.00 0.00 0.00 0.00 53.44 50.99 1b9r n ALA 46 Cb 0.65 -0.47 0.18 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.67 0.29 1.00 0.00 -1.04 -1.26 -3.66 114.28 108.93 1b9r n THR 47 Ca 0.12 -0.23 0.11 0.00 -2.04 0.00 0.00 64.05 62.01 1b9r n THR 47 Cb 0.78 -0.06 0.04 0.00 -1.82 0.00 0.00 70.33 69.26 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 -1.50 0.00 -3.55 0.00 0.00 -1.24 -4.16 116.66 106.20 1b9r n ARG 49 Ca 0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.67 1b9r n ARG 49 Cb 0.33 -1.03 -0.00 0.00 0.00 0.00 0.00 32.46 31.76 1b9r n ARG 49 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1b9r n ILE 50 N 5.10 0.00 -3.61 5.15 0.13 -1.24 -4.81 119.36 120.08 1b9r n ILE 50 Ca 0.45 -1.91 -0.20 0.00 -1.10 0.00 0.00 62.75 59.99 1b9r n ILE 50 Cb 0.02 -0.07 -0.16 0.00 -0.84 0.00 0.00 39.64 38.59 1b9r n ILE 50 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 1b9r s GLU 51 N -3.96 0.06 0.48 9.51 2.02 0.11 -2.99 118.70 123.93 1b9r s GLU 51 Ca 0.27 0.29 -0.22 0.00 0.02 0.00 0.00 54.97 55.32 1b9r s GLU 51 Cb -0.02 -0.92 -0.07 0.00 0.10 0.00 0.00 34.13 33.22 1b9r s GLU 51 CO 0.17 -0.48 1.19 0.42 0.02 0.00 0.00 175.26 176.57 1b9r s ILE 52 N 2.24 2.96 1.21 -1.63 -1.09 -0.50 0.27 121.20 124.66 1b9r s ILE 52 Ca 0.04 0.70 -0.18 0.00 -2.23 0.00 0.00 60.65 58.98 1b9r s ILE 52 Cb -0.14 -3.35 0.27 0.00 -1.58 0.00 0.00 42.46 37.66 1b9r s ILE 52 CO -0.08 -0.03 0.59 -1.84 -1.23 0.00 0.00 174.94 172.36 1b9r n GLU 53 N -0.67 -3.36 -0.66 2.79 0.00 -0.25 -4.58 120.64 113.90 1b9r n GLU 53 Ca 0.08 -1.00 -0.03 0.00 0.00 0.00 0.00 57.16 56.22 1b9r n GLU 53 Cb 0.48 -1.69 0.21 0.00 0.00 0.00 0.00 31.44 30.43 1b9r n GLU 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1b9r n ASP 54 N -3.32 3.86 -0.03 -1.84 2.03 -1.26 -3.63 116.55 112.36 1b9r n ASP 54 Ca 0.09 -2.77 -0.03 0.00 0.52 0.00 0.00 54.79 52.60 1b9r n ASP 54 Cb 0.46 -0.66 -0.05 0.00 -0.72 0.00 0.00 41.12 40.16 1b9r n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b9r n ALA 55 N 0.04 1.85 0.10 -1.67 0.00 -1.26 -4.71 120.51 114.86 1b9r n ALA 55 Ca 0.26 -0.40 0.06 0.00 0.00 0.00 0.00 53.44 53.36 1b9r n ALA 55 Cb 1.02 0.13 0.12 0.00 0.00 0.00 0.00 19.45 20.71 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 -2.24 0.29 -0.19 0.00 7.02 -1.25 -4.51 117.44 116.56 1b9r n TRP 56 Ca -0.10 -0.29 -0.05 0.00 -1.02 0.00 0.00 57.50 56.04 1b9r n TRP 56 Cb 0.70 -0.01 0.12 0.00 -2.42 0.00 0.00 31.31 29.69 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 2.25 1.25 -0.00 -0.99 2.07 -1.84 2.85 116.25 121.84 1b9r h VAL 57 Ca 0.00 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1b9r h VAL 57 Cb 0.64 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1b9r h VAL 57 CO 0.00 0.35 -0.02 -0.62 0.02 0.00 0.00 177.57 177.30 1b9r n GLU 58 N -4.24 0.45 -0.12 1.57 1.02 -1.26 0.27 120.64 118.33 1b9r n GLU 58 Ca 0.04 -0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 57.00 1b9r n GLU 58 Cb 0.26 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.25 1.45 0.04 -3.67 5.41 0.72 -4.58 119.36 117.47 1b9r n ILE 59 Ca 0.14 -0.63 -0.22 0.00 1.00 0.00 0.00 62.75 63.04 1b9r n ILE 59 Cb 0.25 -1.19 -0.14 0.00 -0.71 0.00 0.00 39.64 37.84 1b9r n ILE 59 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1b9r h VAL 60 N 0.00 0.79 -2.84 1.39 2.07 0.49 -3.40 116.25 114.75 1b9r h VAL 60 Ca -0.57 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 64.53 1b9r h VAL 60 Cb 1.97 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 34.37 1b9r h VAL 60 CO -0.06 0.87 0.00 0.61 0.02 0.00 0.00 177.57 179.01 1b9r n GLY 61 N 1.92 -1.55 2.17 2.17 0.00 0.14 -5.00 105.19 105.05 1b9r n GLY 61 Ca -0.28 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.26 -0.54 -2.60 1.61 1.02 -1.25 -4.89 120.64 113.74 1b9r n GLU 62 Ca 0.00 -0.45 -0.36 0.00 -0.02 0.00 0.00 57.16 56.33 1b9r n GLU 62 Cb 0.00 -1.02 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 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 -2.03 3.11 1.28 0.62 0.00 -1.26 -5.04 121.76 118.44 1b9r s ALA 63 Ca 0.21 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 52.63 1b9r s ALA 63 Cb -0.04 -3.25 0.30 0.00 0.00 0.00 0.00 23.12 20.13 1b9r s ALA 63 CO 0.17 -0.13 0.68 0.27 0.00 0.00 0.00 175.76 176.75 1b9r n ASN 64 N 0.01 -3.62 0.00 0.00 0.23 -1.26 -4.72 115.26 105.90 1b9r n ASN 64 Ca 0.05 -0.65 0.05 0.00 -0.53 0.00 0.00 54.58 53.49 1b9r n ASN 64 Cb 0.50 -0.92 0.27 0.00 -2.08 0.00 0.00 39.78 37.54 1b9r n ASN 64 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1b9r n PRO 65 N -4.19 0.39 -0.09 -0.53 -0.02 -1.26 -2.93 135.00 126.36 1b9r n PRO 65 Ca 0.10 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.45 1b9r n PRO 65 Cb 0.49 -1.37 -0.07 0.00 -0.02 0.00 0.00 33.50 32.54 1b9r n PRO 65 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b9r n ASP 66 N -0.87 1.83 -0.21 2.55 8.00 -1.26 -2.76 116.55 123.83 1b9r n ASP 66 Ca 0.07 0.53 0.01 0.00 0.71 0.00 0.00 54.79 56.11 1b9r n ASP 66 Cb 0.03 -0.92 0.12 0.00 -0.02 0.00 0.00 41.12 40.33 1b9r n ASP 66 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1b9r h GLU 67 N -1.00 0.36 -0.35 -1.24 4.57 -1.84 0.13 114.58 115.21 1b9r h GLU 67 Ca -0.18 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 57.90 1b9r h GLU 67 Cb 0.91 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 1b9r h GLU 67 CO -0.11 0.24 -0.10 -0.97 -1.18 0.00 0.00 179.01 176.89 1b9r h ASN 68 N 0.37 0.58 -0.60 1.04 -1.24 -1.74 -2.74 115.58 111.25 1b9r h ASN 68 Ca 0.32 -0.15 -0.02 0.00 0.71 0.00 0.00 56.30 57.16 1b9r h ASN 68 Cb 0.44 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 1b9r h ASN 68 CO -0.35 0.71 0.28 0.44 -1.29 0.00 0.00 177.43 177.23 1b9r h ASP 69 N 0.55 0.79 -0.83 1.15 5.19 -0.65 0.69 116.42 123.32 1b9r h ASP 69 Ca 0.10 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1b9r h ASP 69 Cb 0.50 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.76 1b9r h ASP 69 CO 0.03 0.71 0.52 0.25 -3.12 0.00 0.00 179.24 177.63 1b9r h LEU 70 N 0.82 0.98 0.01 1.55 6.46 -0.72 -0.37 115.31 124.05 1b9r h LEU 70 Ca 0.21 -0.04 -0.22 0.00 -0.12 0.00 0.00 57.88 57.70 1b9r h LEU 70 Cb 0.13 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 1b9r h LEU 70 CO -0.02 0.74 -1.06 -0.07 -0.62 0.00 0.00 178.44 177.40 1b9r h LEU 71 N 1.14 0.04 -0.90 2.25 3.38 -1.18 -3.27 115.31 116.76 1b9r h LEU 71 Ca 0.30 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 1b9r h LEU 71 Cb -0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1b9r h LEU 71 CO -0.06 1.03 -0.22 1.56 0.09 0.00 0.00 178.44 180.84 1b9r h GLN 72 N 0.01 0.55 -0.34 1.13 4.20 0.10 -2.59 115.11 118.18 1b9r h GLN 72 Ca -0.04 -0.20 0.07 0.00 0.06 0.00 0.00 58.65 58.54 1b9r h GLN 72 Cb 1.80 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.53 1b9r h GLN 72 CO 0.13 0.74 0.24 0.66 -0.67 0.00 0.00 178.83 179.93 1b9r h SER 73 N 0.49 0.12 -0.03 1.46 4.64 -1.14 -2.25 113.55 116.86 1b9r h SER 73 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1b9r h SER 73 Cb 0.65 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1b9r h SER 73 CO 0.05 0.08 -0.06 0.71 -0.87 0.00 0.00 176.83 176.73 1b9r h THR 74 N 0.14 1.45 0.00 2.95 1.35 -1.59 -3.48 112.91 113.73 1b9r h THR 74 Ca 0.16 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1b9r h THR 74 Cb 0.44 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1b9r h THR 74 CO -0.02 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 1b9r n GLY 75 N 0.50 0.89 3.39 5.82 0.00 -0.85 -5.11 105.19 109.83 1b9r n GLY 75 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 2.98 1.46 1.61 2.02 -1.24 -5.07 118.70 120.46 1b9r s GLU 76 Ca 0.00 -0.97 -0.23 0.00 0.02 0.00 0.00 54.97 53.79 1b9r s GLU 76 Cb 0.00 -3.66 0.38 0.00 0.10 0.00 0.00 34.13 30.94 1b9r s GLU 76 CO 0.00 -0.61 0.90 -2.14 0.02 0.00 0.00 175.26 173.44 1b9r s PRO 77 N 1.57 -3.20 0.48 0.39 0.02 -1.26 -4.52 135.00 128.47 1b9r s PRO 77 Ca 0.03 0.17 0.04 0.00 0.02 0.00 0.00 61.00 61.26 1b9r s PRO 77 Cb -0.18 -1.34 -0.02 0.00 0.02 0.00 0.00 34.50 32.97 1b9r s PRO 77 CO 0.06 -5.06 0.12 -1.64 -0.33 0.00 0.00 177.00 170.16 1b9r s MET 78 N -5.03 2.17 0.00 5.54 -1.94 -1.26 -5.05 119.30 113.73 1b9r s MET 78 Ca 0.68 -2.15 0.00 0.00 -1.71 0.00 0.00 55.69 52.51 1b9r s MET 78 Cb -0.14 -1.76 0.00 0.00 2.01 0.00 0.00 34.83 34.94 1b9r s MET 78 CO 0.58 -0.30 0.00 0.25 -0.01 0.00 0.00 175.02 175.54 1b9r n THR 79 N -1.30 0.00 -3.22 2.05 -2.24 -1.26 -5.09 114.28 103.21 1b9r n THR 79 Ca -0.09 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.30 1b9r n THR 79 Cb 0.66 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.00 3.43 -1.08 6.98 0.00 -1.26 -3.96 121.76 123.88 1b9r s ALA 80 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1b9r s ALA 80 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1b9r s ALA 80 CO 0.00 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1b9r n GLY 81 N 3.22 1.10 3.75 0.00 0.00 -1.26 -4.77 105.19 107.22 1b9r n GLY 81 Ca -0.05 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.39 2.95 -0.29 2.61 2.01 -1.25 -1.41 115.64 117.87 1b9r s THR 82 Ca 0.00 0.82 -0.23 0.00 0.31 0.00 0.00 61.69 62.58 1b9r s THR 82 Cb 0.00 -3.52 0.13 0.00 0.01 0.00 0.00 72.50 69.12 1b9r s THR 82 CO 0.00 0.14 1.07 -0.60 -0.69 0.00 0.00 174.62 174.54 1b9r s ARG 83 N -0.49 0.43 -0.12 4.92 6.06 -1.16 -4.35 118.95 124.25 1b9r s ARG 83 Ca 0.56 0.55 -0.31 0.00 -2.50 0.00 0.00 55.73 54.03 1b9r s ARG 83 Cb -0.39 0.19 -0.09 0.00 0.06 0.00 0.00 34.95 34.73 1b9r s ARG 83 CO 0.42 -0.06 2.06 1.28 -2.50 0.00 0.00 175.30 176.51 1b9r n LEU 84 N 2.43 3.48 -0.34 -0.88 7.99 -1.26 -3.61 117.00 124.80 1b9r n LEU 84 Ca -0.13 0.63 0.07 0.00 -0.01 0.00 0.00 56.01 56.57 1b9r n LEU 84 Cb 0.56 -1.47 0.24 0.00 -0.11 0.00 0.00 43.42 42.64 1b9r n LEU 84 CO 0.02 -0.25 1.20 0.77 -1.51 0.00 0.00 177.39 177.62 1b9r h SER 85 N 11.98 0.83 -0.61 -1.43 4.64 -1.85 -0.91 113.55 126.20 1b9r h SER 85 Ca -0.44 0.06 -0.33 0.00 -0.47 0.00 0.00 61.79 60.61 1b9r h SER 85 Cb 1.26 -0.10 -0.19 0.00 -0.31 0.00 0.00 62.40 63.06 1b9r h SER 85 CO 0.96 0.42 0.42 0.00 -0.87 0.00 0.00 176.83 177.76 1b9r n GLN 87 N -0.45 2.76 -4.33 0.00 7.27 -0.35 -4.59 117.38 117.68 1b9r n GLN 87 Ca 0.37 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 57.10 1b9r n GLN 87 Cb 1.15 -0.94 -0.13 0.00 2.41 0.00 0.00 30.24 32.73 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 -1.84 3.68 -0.09 1.69 1.01 -1.23 -5.07 120.40 118.55 1b9r s VAL 88 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1b9r s VAL 88 Cb 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1b9r s VAL 88 CO 0.00 0.48 -0.04 -0.36 0.00 0.00 0.00 175.10 175.18 1b9r s PHE 89 N 0.65 3.03 0.99 5.22 0.08 -1.26 -3.28 117.98 123.42 1b9r s PHE 89 Ca -0.03 0.02 -0.17 0.00 0.12 0.00 0.00 56.93 56.87 1b9r s PHE 89 Cb -0.15 -1.79 -0.07 0.00 -0.57 0.00 0.00 43.02 40.45 1b9r s PHE 89 CO 0.02 0.31 -0.41 -0.89 -0.10 0.00 0.00 175.22 174.15 1b9r n ILE 90 N 2.46 0.00 0.00 0.64 2.08 0.75 -4.48 119.36 120.81 1b9r n ILE 90 Ca -0.18 -0.32 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1b9r n ILE 90 Cb 0.53 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 39.16 1b9r n ILE 90 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1b9r n ASP 91 N 1.43 0.00 -2.16 4.38 5.68 -1.26 -0.63 116.55 123.99 1b9r n ASP 91 Ca 0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.28 1b9r n ASP 91 Cb 0.58 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.53 1b9r n ASP 91 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1b9r n PRO 92 N -0.09 0.44 0.00 0.11 -0.02 -1.26 -1.24 135.00 132.94 1b9r n PRO 92 Ca 0.00 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1b9r n PRO 92 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.32 2.55 3.41 -1.26 -4.88 113.62 113.57 1b9r n SER 93 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.38 1b9r n SER 93 Cb 0.21 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 -1.32 3.22 -3.18 4.33 2.81 -0.37 -4.79 117.12 117.83 1b9r n MET 94 Ca 0.00 -3.93 -0.40 0.00 -1.81 0.00 0.00 57.70 51.56 1b9r n MET 94 Cb 0.00 -2.27 -0.06 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 -2.79 6.64 -0.30 7.83 1.01 -1.23 -3.33 116.67 124.50 1b9r s ASP 95 Ca 0.54 0.77 0.00 0.00 0.71 0.00 0.00 52.55 54.57 1b9r s ASP 95 Cb 0.44 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 42.05 1b9r s ASP 95 CO -0.09 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 175.69 1b9r n GLY 96 N 3.80 0.33 3.79 0.21 0.00 0.71 -4.72 105.19 109.31 1b9r n GLY 96 Ca -0.03 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.90 3.56 -0.08 0.99 0.05 -0.42 -4.62 118.68 117.26 1b9r s LEU 97 Ca 0.00 1.95 0.02 0.00 0.05 0.00 0.00 54.13 56.16 1b9r s LEU 97 Cb 0.00 -4.55 -0.02 0.00 -2.05 0.00 0.00 46.19 39.57 1b9r s LEU 97 CO 0.00 -1.25 -0.15 -0.63 -0.55 0.00 0.00 176.35 173.77 1b9r s ILE 98 N -2.23 2.99 0.05 1.48 1.09 -1.26 0.11 121.20 123.44 1b9r s ILE 98 Ca 0.67 -0.72 0.08 0.00 -1.10 0.00 0.00 60.65 59.58 1b9r s ILE 98 Cb -0.19 -2.20 -0.03 0.00 -1.06 0.00 0.00 42.46 38.99 1b9r s ILE 98 CO 0.34 0.57 -0.23 -0.69 -0.10 0.00 0.00 174.94 174.83 1b9r s VAL 99 N -0.32 1.87 0.14 2.92 1.01 1.30 -1.09 120.40 126.23 1b9r s VAL 99 Ca 0.03 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 60.71 1b9r s VAL 99 Cb -0.13 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1b9r s VAL 99 CO 0.02 0.24 -0.04 -0.13 0.00 0.00 0.00 175.10 175.20 1b9r s ARG 100 N -1.29 1.01 -0.02 2.72 0.52 0.77 0.26 118.95 122.91 1b9r s ARG 100 Ca 0.09 -1.46 0.04 0.00 -0.52 0.00 0.00 55.73 53.89 1b9r s ARG 100 Cb -0.09 -0.31 -0.01 0.00 0.52 0.00 0.00 34.95 35.06 1b9r s ARG 100 CO 0.02 -0.06 -0.15 0.08 0.02 0.00 0.00 175.30 175.22 1b9r s VAL 101 N -3.59 1.20 0.91 3.52 1.01 -0.88 0.06 120.40 122.62 1b9r s VAL 101 Ca 0.19 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 1b9r s VAL 101 Cb 0.05 -1.02 0.22 0.00 0.00 0.00 0.00 36.38 35.64 1b9r s VAL 101 CO 0.01 0.35 0.82 -0.81 0.00 0.00 0.00 175.10 175.46 1b9r n PRO 102 N 2.94 -2.53 -2.52 2.72 -0.04 -1.26 -4.60 135.00 129.70 1b9r n PRO 102 Ca -0.16 -1.31 -0.33 0.00 -0.04 0.00 0.00 63.50 61.65 1b9r n PRO 102 Cb 0.54 -1.21 -0.04 0.00 -0.04 0.00 0.00 33.50 32.75 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 3.79 -0.67 1.53 1.43 -1.26 -4.73 118.68 118.78 1b9r s LEU 103 Ca 0.53 1.81 -0.27 0.00 -1.03 0.00 0.00 54.13 55.17 1b9r s LEU 103 Cb -0.05 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.63 1b9r s LEU 103 CO 0.40 -0.71 1.54 -2.16 0.23 0.00 0.00 176.35 175.66 1b9r s PRO 104 N -3.44 2.95 0.00 1.29 0.04 -1.26 -5.16 135.00 129.42 1b9r s PRO 104 Ca 0.64 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1b9r s PRO 104 Cb -0.14 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1b9r s PRO 104 CO 0.22 -2.39 0.00 0.00 0.04 0.00 0.00 177.00 174.87