#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 2.12 0.24 -0.52 3.00 -1.26 -2.06 118.95 120.47 1b9r s ARG 2 Ca 0.00 -1.47 -0.16 0.00 -1.00 0.00 0.00 55.73 53.10 1b9r s ARG 2 Cb 0.00 -2.07 0.01 0.00 0.00 0.00 0.00 34.95 32.89 1b9r s ARG 2 CO 0.00 0.37 0.55 0.08 0.00 0.00 0.00 175.30 176.29 1b9r s VAL 3 N -2.26 0.01 -0.26 7.11 1.01 0.79 0.20 120.40 126.99 1b9r s VAL 3 Ca 0.30 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1b9r s VAL 3 Cb -0.06 -1.99 0.15 0.00 0.00 0.00 0.00 36.38 34.47 1b9r s VAL 3 CO 0.18 -0.04 0.43 -0.69 0.00 0.00 0.00 175.10 174.99 1b9r s VAL 4 N -3.96 -0.70 0.62 2.92 1.01 0.78 0.12 120.40 121.20 1b9r s VAL 4 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1b9r s VAL 4 Cb -0.02 -0.88 0.06 0.00 0.00 0.00 0.00 36.38 35.54 1b9r s VAL 4 CO 0.05 -0.12 0.88 -0.36 0.00 0.00 0.00 175.10 175.56 1b9r s PHE 5 N 2.62 2.56 0.15 5.22 0.40 -0.06 0.40 117.98 129.26 1b9r s PHE 5 Ca 0.14 0.02 -0.12 0.00 -0.60 0.00 0.00 56.93 56.37 1b9r s PHE 5 Cb -0.15 -2.91 0.01 0.00 0.51 0.00 0.00 43.02 40.48 1b9r s PHE 5 CO -0.19 -1.19 0.34 0.42 0.70 0.00 0.00 175.22 175.29 1b9r s ILE 6 N -2.96 0.08 0.08 0.64 -1.09 -1.22 0.17 121.20 116.90 1b9r s ILE 6 Ca 0.60 -1.05 -0.27 0.00 -2.23 0.00 0.00 60.65 57.70 1b9r s ILE 6 Cb -0.09 -1.54 0.09 0.00 -1.58 0.00 0.00 42.46 39.34 1b9r s ILE 6 CO 0.41 -0.34 1.11 -0.62 -1.23 0.00 0.00 174.94 174.27 1b9r s ASP 7 N -2.89 -0.10 -0.04 3.58 2.15 -1.26 -3.16 116.67 114.94 1b9r s ASP 7 Ca 0.10 -0.32 0.11 0.00 0.43 0.00 0.00 52.55 52.88 1b9r s ASP 7 Cb 0.02 0.35 0.40 0.00 -0.30 0.00 0.00 42.92 43.39 1b9r s ASP 7 CO -0.05 -0.65 1.28 1.21 -0.17 0.00 0.00 175.17 176.79 1b9r n GLU 8 N -0.52 2.37 -0.04 4.34 0.00 -1.26 0.14 120.64 125.67 1b9r n GLU 8 Ca -0.06 -1.61 -0.05 0.00 0.00 0.00 0.00 57.16 55.43 1b9r n GLU 8 Cb 0.61 -1.52 -0.05 0.00 0.00 0.00 0.00 31.44 30.48 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 0.62 1.61 0.00 5.31 1.13 -1.26 -4.75 117.38 120.04 1b9r n GLN 9 Ca 0.15 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1b9r n GLN 9 Cb 0.49 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.65 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 -2.51 2.02 -0.95 1.08 2.88 -1.25 -5.01 113.62 109.88 1b9r n SER 10 Ca -0.14 -0.20 -0.12 0.00 -1.33 0.00 0.00 58.87 57.07 1b9r n SER 10 Cb 0.72 0.80 -0.05 0.00 -0.75 0.00 0.00 64.21 64.93 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 1.41 1.30 0.00 0.46 0.00 0.12 -4.89 105.19 103.58 1b9r n GLY 11 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.18 0.00 -2.94 1.61 2.13 -1.26 -4.58 120.64 113.42 1b9r n GLU 12 Ca -0.12 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.56 1b9r n GLU 12 Cb 0.46 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.20 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 -1.58 -1.63 4.31 4.02 0.45 -4.74 117.16 117.44 1b9r n TYR 13 Ca 0.00 -2.84 -0.47 0.00 -0.01 0.00 0.00 57.90 54.58 1b9r n TYR 13 Cb 0.00 0.70 -0.04 0.00 -0.02 0.00 0.00 39.34 39.99 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 0.54 0.26 -3.00 -0.72 0.00 -1.25 -0.88 120.51 115.45 1b9r n ALA 14 Ca 0.15 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1b9r n ALA 14 Cb 0.66 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.92 0.00 -3.64 0.00 3.14 0.34 -4.80 118.33 115.28 1b9r n VAL 15 Ca 0.14 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.42 1b9r n VAL 15 Cb 0.28 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.02 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 1.84 -0.34 0.26 6.55 1.11 -1.25 0.28 116.67 125.11 1b9r s ASP 16 Ca 0.00 -0.32 0.03 0.00 0.18 0.00 0.00 52.55 52.44 1b9r s ASP 16 Cb 0.00 0.57 -0.01 0.00 1.07 0.00 0.00 42.92 44.55 1b9r s ASP 16 CO 0.00 -1.01 0.28 0.00 1.18 0.00 0.00 175.17 175.62 1b9r n ALA 17 N -0.33 0.27 -3.18 5.23 0.00 -0.87 -4.68 120.51 116.94 1b9r n ALA 17 Ca -0.13 -1.42 -0.18 0.00 0.00 0.00 0.00 53.44 51.71 1b9r n ALA 17 Cb 0.63 1.15 -0.15 0.00 0.00 0.00 0.00 19.45 21.08 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 -2.90 0.60 -0.45 0.00 -1.52 -1.26 0.30 119.66 114.43 1b9r s GLN 18 Ca 0.28 -0.15 -0.42 0.00 -1.95 0.00 0.00 55.36 53.13 1b9r s GLN 18 Cb 0.01 -0.61 -0.17 0.00 -0.22 0.00 0.00 33.01 32.02 1b9r s GLN 18 CO 0.20 0.03 2.08 -0.25 -0.25 0.00 0.00 175.29 177.10 1b9r n ASP 19 N 3.47 1.26 0.00 5.90 8.00 -1.26 0.15 116.55 134.07 1b9r n ASP 19 Ca -0.19 0.68 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1b9r n ASP 19 Cb 0.54 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 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 6.74 1.22 3.70 0.44 0.00 0.21 -4.87 105.19 112.63 1b9r n GLY 20 Ca 0.48 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 2.72 0.60 1.61 -0.21 0.12 -4.69 119.66 119.82 1b9r s GLN 21 Ca 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 54.68 1b9r s GLN 21 Cb 0.00 -2.63 0.06 0.00 1.00 0.00 0.00 33.01 31.43 1b9r s GLN 21 CO 0.00 0.58 0.84 -1.54 -2.12 0.00 0.00 175.29 173.06 1b9r s SER 22 N -1.97 5.02 0.00 5.90 1.04 -1.22 0.12 113.70 122.59 1b9r s SER 22 Ca 0.23 -0.08 0.12 0.00 0.48 0.00 0.00 55.95 56.70 1b9r s SER 22 Cb -0.12 -0.66 0.47 0.00 0.10 0.00 0.00 66.02 65.81 1b9r s SER 22 CO 0.15 -1.35 1.34 0.18 0.98 0.00 0.00 173.24 174.55 1b9r n LEU 23 N -2.49 1.18 -0.08 2.42 7.99 -1.26 -2.80 117.00 121.97 1b9r n LEU 23 Ca 0.10 -0.56 -0.07 0.00 -0.01 0.00 0.00 56.01 55.47 1b9r n LEU 23 Cb 0.60 -0.12 -0.14 0.00 -0.11 0.00 0.00 43.42 43.65 1b9r n LEU 23 CO 0.45 0.28 -1.03 1.15 -1.51 0.00 0.00 177.39 176.73 1b9r n MET 24 N 0.08 1.16 0.09 3.23 0.00 -1.26 -4.30 117.12 116.12 1b9r n MET 24 Ca 0.11 -0.02 -0.21 0.00 0.00 0.00 0.00 57.70 57.57 1b9r n MET 24 Cb 0.21 -1.44 -0.15 0.00 0.00 0.00 0.00 33.22 31.85 1b9r n MET 24 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1b9r h GLU 25 N 0.00 0.38 -0.26 3.17 4.39 -1.92 -3.33 114.58 117.01 1b9r h GLU 25 Ca -0.42 -0.65 0.06 0.00 0.34 0.00 0.00 59.36 58.69 1b9r h GLU 25 Cb 1.95 0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 30.77 1b9r h GLU 25 CO 0.02 1.28 -0.34 0.28 -1.16 0.00 0.00 179.01 179.09 1b9r h VAL 26 N 0.10 0.24 0.00 3.13 2.07 -1.74 -2.69 116.25 117.35 1b9r h VAL 26 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1b9r h VAL 26 Cb 2.09 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1b9r h VAL 26 CO 0.19 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.78 1b9r n ALA 27 N -2.93 0.00 -0.34 1.67 0.00 -1.25 0.34 120.51 118.00 1b9r n ALA 27 Ca -0.01 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.75 1b9r n ALA 27 Cb 0.34 0.15 0.68 0.00 0.00 0.00 0.00 19.45 20.62 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 -0.01 0.00 1.35 -1.63 2.10 112.91 115.12 1b9r h THR 28 Ca 0.00 -0.04 -0.19 0.00 -0.55 0.00 0.00 66.41 65.63 1b9r h THR 28 Cb 0.00 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 66.68 1b9r h THR 28 CO 0.00 0.02 -0.81 1.56 -0.25 0.00 0.00 175.52 176.04 1b9r h GLN 29 N 0.12 0.21 -0.21 4.72 4.20 0.60 -3.03 115.11 121.73 1b9r h GLN 29 Ca 0.60 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 59.11 1b9r h GLN 29 Cb 2.13 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.96 1b9r h GLN 29 CO -0.12 0.91 0.00 0.09 -0.67 0.00 0.00 178.83 179.04 1b9r n ASN 30 N -3.71 1.65 0.00 1.46 3.02 0.67 -4.88 115.26 113.48 1b9r n ASN 30 Ca -0.03 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 1b9r n ASN 30 Cb 0.76 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 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 1.10 0.65 3.64 7.41 0.00 0.99 -4.98 105.19 113.99 1b9r n GLY 31 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.29 3.15 -0.36 1.61 0.31 -0.17 -4.76 118.33 115.83 1b9r n VAL 32 Ca 0.00 -0.50 0.30 0.00 -0.01 0.00 0.00 64.34 64.13 1b9r n VAL 32 Cb 0.04 -1.27 0.46 0.00 -0.91 0.00 0.00 33.84 32.17 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 -0.50 0.00 -2.95 5.55 -0.01 -1.26 -4.33 135.00 131.50 1b9r n PRO 33 Ca 0.11 0.73 -0.15 0.00 -0.01 0.00 0.00 63.50 64.18 1b9r n PRO 33 Cb 0.43 -1.74 -0.01 0.00 -0.01 0.00 0.00 33.50 32.18 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 -1.55 -0.49 3.55 -1.23 0.00 -1.26 -4.73 105.19 99.48 1b9r n GLY 34 Ca 0.25 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.39 0.68 0.00 -0.61 5.41 -1.26 -4.07 119.36 116.12 1b9r n ILE 35 Ca -0.04 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 63.01 1b9r n ILE 35 Cb 0.54 -2.07 0.00 0.00 -0.71 0.00 0.00 39.64 37.41 1b9r n ILE 35 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1b9r n VAL 36 N 8.41 0.00 -4.27 1.39 3.14 -1.26 -4.98 118.33 120.75 1b9r n VAL 36 Ca 0.43 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.50 1b9r n VAL 36 Cb 0.46 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.16 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 -3.00 -1.96 -0.98 1.55 0.00 -1.26 -4.89 120.51 109.98 1b9r n ALA 37 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1b9r n ALA 37 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -4.53 0.00 -0.00 0.00 1.02 -1.26 -4.85 120.64 111.01 1b9r n GLU 38 Ca -0.30 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 56.92 1b9r n GLU 38 Cb 0.68 -0.14 -0.10 0.00 -0.02 0.00 0.00 31.44 31.86 1b9r n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b9r n GLY 40 N 1.51 0.40 1.32 0.00 0.00 -1.26 -2.84 105.19 104.32 1b9r n GLY 40 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.43 0.78 0.23 -0.02 0.00 -1.26 -4.91 105.19 98.58 1b9r n GLY 41 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.16 1.61 0.87 -1.93 -3.45 113.55 107.49 1b9r h SER 42 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1b9r h SER 42 Cb 0.00 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.02 1b9r h SER 42 CO 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 176.83 176.01 1b9r n VAL 44 N -2.97 0.00 -4.60 0.00 3.14 -1.26 -5.07 118.33 107.57 1b9r n VAL 44 Ca -0.05 -0.42 -0.27 0.00 -2.96 0.00 0.00 64.34 60.64 1b9r n VAL 44 Cb 0.54 1.01 -0.11 0.00 -1.06 0.00 0.00 33.84 34.22 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 -0.93 2.69 0.43 0.00 0.00 -1.26 -4.86 120.51 116.58 1b9r n ALA 46 Ca -0.05 -2.26 0.04 0.00 0.00 0.00 0.00 53.44 51.18 1b9r n ALA 46 Cb 0.67 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.79 0.00 -0.86 0.00 -2.24 -1.26 -4.71 114.28 104.42 1b9r n THR 47 Ca 0.00 -0.31 -0.15 0.00 -2.27 0.00 0.00 64.05 61.32 1b9r n THR 47 Cb 0.83 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 69.98 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 2.94 1.50 -2.37 0.00 3.00 -1.26 -4.05 116.66 116.43 1b9r n ARG 49 Ca 0.42 -2.16 -0.25 0.00 -0.00 0.00 0.00 57.85 55.86 1b9r n ARG 49 Cb 0.58 -3.36 0.05 0.00 0.00 0.00 0.00 32.46 29.74 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 8.45 2.74 -0.10 5.15 -1.09 -1.26 -4.38 121.20 130.70 1b9r s ILE 50 Ca 0.64 -0.30 -0.03 0.00 -2.23 0.00 0.00 60.65 58.73 1b9r s ILE 50 Cb 0.06 -3.12 0.05 0.00 -1.58 0.00 0.00 42.46 37.86 1b9r s ILE 50 CO 0.14 -0.12 0.11 -1.61 -1.23 0.00 0.00 174.94 172.23 1b9r s GLU 51 N -5.06 0.01 0.47 2.79 2.02 0.11 -3.05 118.70 115.99 1b9r s GLU 51 Ca 0.58 0.31 -0.23 0.00 0.02 0.00 0.00 54.97 55.65 1b9r s GLU 51 Cb -0.11 -0.81 -0.07 0.00 0.10 0.00 0.00 34.13 33.24 1b9r s GLU 51 CO 0.43 -0.43 1.17 0.42 0.02 0.00 0.00 175.26 176.87 1b9r s ILE 52 N 2.21 3.08 0.96 -1.63 -1.09 -1.05 0.26 121.20 123.94 1b9r s ILE 52 Ca 0.04 0.80 -0.12 0.00 -2.23 0.00 0.00 60.65 59.14 1b9r s ILE 52 Cb -0.13 -3.40 0.10 0.00 -1.58 0.00 0.00 42.46 37.45 1b9r s ILE 52 CO -0.06 -0.02 0.69 -1.84 -1.23 0.00 0.00 174.94 172.47 1b9r n GLU 53 N -0.58 -0.55 0.00 2.79 -0.00 0.69 -4.70 120.64 118.29 1b9r n GLU 53 Ca 0.08 -0.11 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 1b9r n GLU 53 Cb 0.48 -2.05 0.00 0.00 -0.00 0.00 0.00 31.44 29.87 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 -2.61 1.37 -0.02 -1.84 -0.08 -1.26 -2.72 116.55 109.39 1b9r n ASP 54 Ca 0.08 -1.81 -0.00 0.00 -1.51 0.00 0.00 54.79 51.54 1b9r n ASP 54 Cb 0.54 -0.45 -0.05 0.00 2.34 0.00 0.00 41.12 43.49 1b9r n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b9r n ALA 55 N 0.17 2.01 0.35 -1.67 0.00 -1.26 -4.68 120.51 115.43 1b9r n ALA 55 Ca 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 53.44 53.20 1b9r n ALA 55 Cb 0.28 -0.02 0.10 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.03 0.16 -0.07 0.00 7.02 -1.10 -4.42 117.44 117.00 1b9r n TRP 56 Ca -0.07 -0.14 -0.06 0.00 -1.02 0.00 0.00 57.50 56.21 1b9r n TRP 56 Cb 0.49 -0.01 0.13 0.00 -2.42 0.00 0.00 31.31 29.51 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 2.66 1.26 -0.00 -0.99 2.07 -1.83 3.14 116.25 122.57 1b9r h VAL 57 Ca 0.00 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1b9r h VAL 57 Cb 0.64 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1b9r h VAL 57 CO 0.00 0.41 -0.01 -0.62 0.02 0.00 0.00 177.57 177.37 1b9r n GLU 58 N -4.14 0.53 -0.10 1.57 1.02 -1.26 0.55 120.64 118.81 1b9r n GLU 58 Ca 0.01 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.00 1b9r n GLU 58 Cb 0.39 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.21 1.20 -0.01 -3.67 5.41 0.41 -4.63 119.36 116.86 1b9r n ILE 59 Ca 0.16 -0.59 -0.22 0.00 1.00 0.00 0.00 62.75 63.10 1b9r n ILE 59 Cb 0.23 -0.92 -0.14 0.00 -0.71 0.00 0.00 39.64 38.10 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 0.73 -2.93 1.39 2.07 0.57 -3.41 116.25 114.66 1b9r h VAL 60 Ca -0.47 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 64.72 1b9r h VAL 60 Cb 1.89 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 34.14 1b9r h VAL 60 CO -0.03 0.77 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1b9r n GLY 61 N 1.85 -1.63 3.12 2.17 0.00 0.19 -5.01 105.19 105.89 1b9r n GLY 61 Ca -0.31 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.80 -2.07 1.61 1.02 -1.25 -4.86 120.64 114.02 1b9r n GLU 62 Ca 0.00 -0.23 -0.38 0.00 -0.02 0.00 0.00 57.16 56.54 1b9r n GLU 62 Cb 0.00 -1.33 0.01 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.11 2.94 1.16 0.62 0.00 -1.26 -5.00 121.76 118.11 1b9r s ALA 63 Ca 0.45 1.10 -0.17 0.00 0.00 0.00 0.00 51.96 53.34 1b9r s ALA 63 Cb 0.00 -3.46 0.20 0.00 0.00 0.00 0.00 23.12 19.87 1b9r s ALA 63 CO 0.65 -0.93 0.39 0.27 0.00 0.00 0.00 175.76 176.14 1b9r n ASN 64 N -0.63 -2.91 0.00 0.00 6.94 -1.26 -4.57 115.26 112.83 1b9r n ASN 64 Ca 0.08 -0.38 0.04 0.00 -0.02 0.00 0.00 54.58 54.30 1b9r n ASN 64 Cb 0.47 -0.92 0.23 0.00 -2.36 0.00 0.00 39.78 37.19 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 -2.99 0.49 -0.09 -0.53 -0.02 -1.26 -2.37 135.00 128.23 1b9r n PRO 65 Ca 0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.39 1b9r n PRO 65 Cb 0.51 -1.24 -0.07 0.00 -0.02 0.00 0.00 33.50 32.68 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 -0.74 1.84 0.22 2.55 9.92 -1.26 -3.01 116.55 126.06 1b9r n ASP 66 Ca 0.06 0.52 0.11 0.00 -0.53 0.00 0.00 54.79 54.95 1b9r n ASP 66 Cb 0.03 -0.91 0.24 0.00 -0.64 0.00 0.00 41.12 39.83 1b9r n ASP 66 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1b9r h GLU 67 N -1.00 0.00 0.00 -1.24 4.39 -1.87 -3.01 114.58 111.84 1b9r h GLU 67 Ca -0.19 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.41 1b9r h GLU 67 Cb 0.93 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1b9r h GLU 67 CO -0.12 0.09 -0.96 -0.97 -1.16 0.00 0.00 179.01 175.90 1b9r h ASN 68 N 0.00 0.00 0.07 1.42 -1.24 -1.67 -3.29 115.58 110.87 1b9r h ASN 68 Ca -0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1b9r h ASN 68 Cb 0.98 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.03 1b9r h ASN 68 CO 0.01 0.38 -0.03 -0.78 -1.29 0.00 0.00 177.43 175.72 1b9r h ASP 69 N 0.00 -0.08 -0.95 1.15 3.58 -1.49 -2.14 116.42 116.49 1b9r h ASP 69 Ca -0.07 -0.50 0.20 0.00 0.42 0.00 0.00 57.03 57.08 1b9r h ASP 69 Cb 1.36 0.02 -0.08 0.00 1.72 0.00 0.00 39.33 42.35 1b9r h ASP 69 CO 0.04 0.61 0.61 0.17 -2.88 0.00 0.00 179.24 177.79 1b9r h LEU 70 N -0.92 0.54 -0.25 2.28 8.10 -1.70 0.30 115.31 123.66 1b9r h LEU 70 Ca -0.01 0.06 -0.19 0.00 0.11 0.00 0.00 57.88 57.85 1b9r h LEU 70 Cb 0.58 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.74 1b9r h LEU 70 CO 0.02 0.21 -0.89 0.25 -4.11 0.00 0.00 178.44 173.91 1b9r h LEU 71 N 0.54 0.14 -0.23 0.17 7.12 -1.63 -3.11 115.31 118.30 1b9r h LEU 71 Ca 0.51 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.41 1b9r h LEU 71 Cb 1.09 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 1b9r h LEU 71 CO -0.25 0.96 0.00 1.56 -0.13 0.00 0.00 178.44 180.58 1b9r h GLN 72 N 0.05 0.00 -0.76 1.25 4.20 0.12 -3.23 115.11 116.74 1b9r h GLN 72 Ca -0.03 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.83 1b9r h GLN 72 Cb 1.54 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.27 1b9r h GLN 72 CO 0.13 0.00 0.51 1.03 -0.67 0.00 0.00 178.83 179.82 1b9r h SER 73 N 0.00 0.40 0.05 1.46 0.87 -0.52 -1.89 113.55 113.91 1b9r h SER 73 Ca 0.00 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1b9r h SER 73 Cb 0.77 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 1b9r h SER 73 CO 0.00 0.20 -0.15 0.71 -0.53 0.00 0.00 176.83 177.06 1b9r h THR 74 N 0.42 0.64 0.00 2.23 1.35 -1.75 -3.47 112.91 112.33 1b9r h THR 74 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 1b9r h THR 74 Cb 0.85 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1b9r h THR 74 CO -0.12 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.76 1b9r n GLY 75 N -1.28 1.75 3.87 5.82 0.00 -0.71 -5.13 105.19 109.52 1b9r n GLY 75 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.03 3.76 0.69 1.61 2.02 -1.26 -5.07 118.70 120.41 1b9r s GLU 76 Ca 0.00 0.17 -0.15 0.00 0.02 0.00 0.00 54.97 55.00 1b9r s GLU 76 Cb 0.00 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.32 1b9r s GLU 76 CO 0.00 0.51 1.17 -1.25 0.02 0.00 0.00 175.26 175.71 1b9r s PRO 77 N -2.14 2.49 0.01 0.39 0.04 -1.26 -4.95 135.00 129.58 1b9r s PRO 77 Ca 0.36 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 1b9r s PRO 77 Cb -0.13 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1b9r s PRO 77 CO 0.20 -1.54 0.24 -1.64 0.04 0.00 0.00 177.00 174.30 1b9r s MET 78 N -3.90 0.65 0.20 4.56 -1.94 -1.26 -5.17 119.30 112.44 1b9r s MET 78 Ca 0.72 -0.40 0.02 0.00 -1.71 0.00 0.00 55.69 54.32 1b9r s MET 78 Cb -0.26 0.28 0.02 0.00 2.01 0.00 0.00 34.83 36.88 1b9r s MET 78 CO 0.42 -0.18 0.20 0.25 -0.01 0.00 0.00 175.02 175.69 1b9r n THR 79 N 1.07 0.00 -2.74 2.05 -2.24 -1.26 -5.06 114.28 106.10 1b9r n THR 79 Ca -0.21 -0.75 -0.43 0.00 -2.27 0.00 0.00 64.05 60.39 1b9r n THR 79 Cb 0.57 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.27 3.22 0.00 6.98 0.00 -1.26 -3.40 121.76 125.03 1b9r s ALA 80 Ca 0.15 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1b9r s ALA 80 Cb -0.01 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1b9r s ALA 80 CO 0.09 -2.09 0.00 0.41 0.00 0.00 0.00 175.76 174.17 1b9r n GLY 81 N 4.85 1.04 3.59 0.00 0.00 -1.26 -4.65 105.19 108.76 1b9r n GLY 81 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 3.95 -0.01 2.61 2.01 -1.22 -2.53 115.64 118.45 1b9r s THR 82 Ca 0.00 0.91 -0.28 0.00 0.31 0.00 0.00 61.69 62.63 1b9r s THR 82 Cb 0.00 -4.47 0.06 0.00 0.01 0.00 0.00 72.50 68.11 1b9r s THR 82 CO 0.00 -1.06 0.63 0.00 -0.69 0.00 0.00 174.62 173.50 1b9r s ARG 83 N 5.02 1.06 -0.84 4.92 1.04 -1.17 -4.77 118.95 124.19 1b9r s ARG 83 Ca 0.52 0.10 -0.21 0.00 -1.04 0.00 0.00 55.73 55.10 1b9r s ARG 83 Cb -0.10 0.49 -0.21 0.00 -2.04 0.00 0.00 34.95 33.10 1b9r s ARG 83 CO 0.29 -0.35 2.35 1.28 -0.04 0.00 0.00 175.30 178.83 1b9r n LEU 84 N 0.74 0.65 -0.21 -1.89 4.32 -1.26 -4.08 117.00 115.27 1b9r n LEU 84 Ca -0.19 -0.96 -0.00 0.00 -0.02 0.00 0.00 56.01 54.84 1b9r n LEU 84 Cb 0.58 -1.22 0.11 0.00 -1.62 0.00 0.00 43.42 41.27 1b9r n LEU 84 CO 0.22 -1.99 1.00 -1.28 -1.22 0.00 0.00 177.39 174.12 1b9r h SER 85 N 12.81 0.28 -0.48 -1.43 0.87 -1.86 0.96 113.55 124.70 1b9r h SER 85 Ca -0.02 0.07 0.14 0.00 -1.23 0.00 0.00 61.79 60.76 1b9r h SER 85 Cb 1.09 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1b9r h SER 85 CO 1.26 0.16 0.54 0.00 -0.53 0.00 0.00 176.83 178.26 1b9r n GLN 87 N -3.63 1.57 -3.83 0.00 7.27 0.32 -4.83 117.38 114.24 1b9r n GLN 87 Ca 0.09 -0.98 -0.21 0.00 0.07 0.00 0.00 57.00 55.97 1b9r n GLN 87 Cb 0.73 -1.48 -0.02 0.00 2.41 0.00 0.00 30.24 31.89 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 -2.11 5.15 -0.17 1.69 1.01 0.41 -5.07 120.40 121.31 1b9r s VAL 88 Ca 0.34 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1b9r s VAL 88 Cb 0.20 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.80 1b9r s VAL 88 CO 0.37 -0.36 0.46 -0.36 0.00 0.00 0.00 175.10 175.22 1b9r s PHE 89 N -2.05 -0.50 0.57 5.22 0.08 -1.26 -3.40 117.98 116.64 1b9r s PHE 89 Ca 0.36 1.21 -0.21 0.00 0.12 0.00 0.00 56.93 58.41 1b9r s PHE 89 Cb -0.09 0.18 -0.04 0.00 -0.57 0.00 0.00 43.02 42.50 1b9r s PHE 89 CO 0.30 -0.25 1.35 -0.89 -0.10 0.00 0.00 175.22 175.63 1b9r n ILE 90 N 2.75 4.15 -3.46 0.64 2.08 0.33 -4.68 119.36 121.18 1b9r n ILE 90 Ca -0.14 -0.50 -0.13 0.00 0.56 0.00 0.00 62.75 62.54 1b9r n ILE 90 Cb 0.57 -1.63 -0.03 0.00 -0.75 0.00 0.00 39.64 37.79 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 -1.03 -0.57 0.00 4.38 1.47 -1.26 0.64 116.67 120.30 1b9r s ASP 91 Ca 0.75 0.21 0.00 0.00 1.18 0.00 0.00 52.55 54.69 1b9r s ASP 91 Cb -0.41 0.55 0.00 0.00 -0.34 0.00 0.00 42.92 42.73 1b9r s ASP 91 CO 0.47 -0.81 0.00 -2.65 0.68 0.00 0.00 175.17 172.85 1b9r n PRO 92 N 0.02 0.00 -0.02 2.11 -0.02 -1.26 -0.06 135.00 135.78 1b9r n PRO 92 Ca -0.16 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.31 1b9r n PRO 92 Cb 0.62 -1.16 -0.04 0.00 -0.02 0.00 0.00 33.50 32.90 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 0.67 3.86 -2.63 2.55 3.41 -1.26 -4.73 113.62 115.50 1b9r n SER 93 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1b9r n SER 93 Cb 0.00 0.81 -0.00 0.00 -0.26 0.00 0.00 64.21 64.76 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 -2.01 2.75 -3.30 4.33 2.81 0.92 -4.85 117.12 117.75 1b9r n MET 94 Ca -0.05 -4.21 -0.38 0.00 -1.81 0.00 0.00 57.70 51.24 1b9r n MET 94 Cb 0.48 -1.99 -0.06 0.00 -0.71 0.00 0.00 33.22 30.95 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 -3.37 6.72 0.00 7.83 1.01 -1.24 -3.80 116.67 123.82 1b9r s ASP 95 Ca 0.43 0.86 0.00 0.00 0.71 0.00 0.00 52.55 54.55 1b9r s ASP 95 Cb 0.39 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 42.03 1b9r s ASP 95 CO -0.12 0.02 0.00 0.61 0.21 0.00 0.00 175.17 175.88 1b9r n GLY 96 N 3.14 0.61 3.73 0.21 0.00 0.54 -4.72 105.19 108.70 1b9r n GLY 96 Ca -0.07 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1b9r n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b9r s LEU 97 N -0.33 3.29 -0.18 0.99 1.43 0.60 -4.64 118.68 119.84 1b9r s LEU 97 Ca 0.00 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 1b9r s LEU 97 Cb 0.00 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.68 1b9r s LEU 97 CO 0.00 -2.16 -0.09 -0.63 0.23 0.00 0.00 176.35 173.69 1b9r s ILE 98 N -2.16 1.46 0.63 -0.59 1.09 -1.25 0.27 121.20 120.65 1b9r s ILE 98 Ca 0.71 -0.83 0.04 0.00 -1.10 0.00 0.00 60.65 59.47 1b9r s ILE 98 Cb -0.26 -1.54 0.12 0.00 -1.06 0.00 0.00 42.46 39.72 1b9r s ILE 98 CO 0.46 0.20 0.86 0.52 -0.10 0.00 0.00 174.94 176.88 1b9r n VAL 99 N 4.76 0.00 -3.55 2.92 0.31 1.31 0.25 118.33 124.33 1b9r n VAL 99 Ca -0.14 -1.61 -0.12 0.00 -0.01 0.00 0.00 64.34 62.45 1b9r n VAL 99 Cb 0.47 -0.77 -0.05 0.00 -0.91 0.00 0.00 33.84 32.58 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 -4.75 0.76 -0.09 5.55 0.52 0.72 -3.43 118.95 118.23 1b9r s ARG 100 Ca 0.60 0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.96 1b9r s ARG 100 Cb -0.04 0.36 -0.01 0.00 0.52 0.00 0.00 34.95 35.77 1b9r s ARG 100 CO 0.39 -0.25 -0.19 0.08 0.02 0.00 0.00 175.30 175.35 1b9r s VAL 101 N -1.38 2.55 0.92 3.52 1.01 -1.19 0.05 120.40 125.89 1b9r s VAL 101 Ca -0.04 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1b9r s VAL 101 Cb -0.00 -2.00 0.22 0.00 0.00 0.00 0.00 36.38 34.60 1b9r s VAL 101 CO 0.03 0.56 0.95 -0.81 0.00 0.00 0.00 175.10 175.82 1b9r n PRO 102 N 3.16 -2.17 -1.88 2.72 -0.04 -1.26 -4.73 135.00 130.79 1b9r n PRO 102 Ca -0.18 -1.49 -0.30 0.00 -0.04 0.00 0.00 63.50 61.49 1b9r n PRO 102 Cb 0.52 -1.25 0.19 0.00 -0.04 0.00 0.00 33.50 32.93 1b9r n PRO 102 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1b9r s LEU 103 N 0.00 2.60 -0.82 1.53 2.34 -1.26 -4.86 118.68 118.21 1b9r s LEU 103 Ca 0.58 0.26 -0.22 0.00 0.06 0.00 0.00 54.13 54.82 1b9r s LEU 103 Cb -0.04 -2.26 -0.19 0.00 -0.56 0.00 0.00 46.19 43.13 1b9r s LEU 103 CO 0.43 -2.86 2.36 -2.65 -1.06 0.00 0.00 176.35 172.58 1b9r n PRO 104 N -3.85 0.43 0.00 1.48 -0.02 -1.26 -5.18 135.00 126.60 1b9r n PRO 104 Ca 0.15 -0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 1b9r n PRO 104 Cb 0.59 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1b9r n PRO 104 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48