#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 2.52 0.29 -0.52 0.52 -1.26 -0.81 118.95 119.69 1b9r s ARG 2 Ca 0.00 -1.24 -0.18 0.00 -0.52 0.00 0.00 55.73 53.79 1b9r s ARG 2 Cb 0.00 -2.33 0.02 0.00 0.52 0.00 0.00 34.95 33.16 1b9r s ARG 2 CO 0.00 0.39 0.67 0.08 0.02 0.00 0.00 175.30 176.47 1b9r s VAL 3 N -2.16 0.00 -0.28 3.52 1.01 0.48 0.28 120.40 123.24 1b9r s VAL 3 Ca 0.31 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1b9r s VAL 3 Cb -0.07 -2.18 0.17 0.00 0.00 0.00 0.00 36.38 34.30 1b9r s VAL 3 CO 0.21 0.00 0.52 -0.69 0.00 0.00 0.00 175.10 175.15 1b9r s VAL 4 N -3.69 -0.86 0.68 2.92 1.01 0.70 0.23 120.40 121.38 1b9r s VAL 4 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1b9r s VAL 4 Cb -0.05 -0.95 0.08 0.00 0.00 0.00 0.00 36.38 35.46 1b9r s VAL 4 CO 0.08 -0.06 0.96 -0.36 0.00 0.00 0.00 175.10 175.72 1b9r s PHE 5 N 2.74 2.52 0.16 5.22 0.40 -0.53 0.47 117.98 128.96 1b9r s PHE 5 Ca 0.16 0.13 -0.17 0.00 -0.60 0.00 0.00 56.93 56.45 1b9r s PHE 5 Cb -0.14 -3.08 0.04 0.00 0.51 0.00 0.00 43.02 40.35 1b9r s PHE 5 CO -0.22 -1.39 0.47 0.42 0.70 0.00 0.00 175.22 175.20 1b9r s ILE 6 N -3.12 0.04 0.09 0.64 1.09 0.63 0.29 121.20 120.86 1b9r s ILE 6 Ca 0.62 -0.58 -0.25 0.00 -1.10 0.00 0.00 60.65 59.33 1b9r s ILE 6 Cb -0.09 -1.30 0.09 0.00 -1.06 0.00 0.00 42.46 40.10 1b9r s ILE 6 CO 0.43 -0.20 1.15 -0.62 -0.10 0.00 0.00 174.94 175.61 1b9r s ASP 7 N -2.82 0.01 0.00 3.58 -1.08 -1.26 -0.79 116.67 114.30 1b9r s ASP 7 Ca 0.05 -0.46 0.28 0.00 -0.52 0.00 0.00 52.55 51.90 1b9r s ASP 7 Cb 0.00 0.34 1.00 0.00 -1.46 0.00 0.00 42.92 42.80 1b9r s ASP 7 CO -0.09 -0.67 1.72 1.21 0.52 0.00 0.00 175.17 177.86 1b9r n GLU 8 N -0.79 1.02 -0.01 4.34 2.13 -1.26 0.91 120.64 126.97 1b9r n GLU 8 Ca 0.00 -0.52 -0.11 0.00 0.66 0.00 0.00 57.16 57.19 1b9r n GLU 8 Cb 0.59 -1.49 -0.14 0.00 0.27 0.00 0.00 31.44 30.67 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 1.27 0.06 0.00 5.31 1.08 -1.96 -3.41 115.11 117.46 1b9r h GLN 9 Ca 0.00 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1b9r h GLN 9 Cb 0.44 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1b9r h GLN 9 CO 0.00 0.66 0.00 0.45 -0.95 0.00 0.00 178.83 178.99 1b9r n SER 10 N -3.15 0.07 -1.22 1.46 2.88 -1.25 -5.00 113.62 107.43 1b9r n SER 10 Ca -0.19 -1.01 -0.12 0.00 -1.33 0.00 0.00 58.87 56.21 1b9r n SER 10 Cb 1.05 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.46 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 1.18 0.00 0.46 0.00 0.26 -4.78 105.19 102.30 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 -1.58 0.00 -2.87 1.61 2.13 -1.25 -4.58 120.64 114.11 1b9r n GLU 12 Ca -0.12 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.58 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 -0.23 -1.44 4.31 4.02 0.82 -4.70 117.16 119.38 1b9r n TYR 13 Ca 0.00 -2.96 -0.44 0.00 -0.01 0.00 0.00 57.90 54.49 1b9r n TYR 13 Cb 0.00 0.14 -0.01 0.00 -0.02 0.00 0.00 39.34 39.46 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 0.05 -1.82 -3.00 -0.72 0.00 -1.22 -1.45 120.51 112.35 1b9r n ALA 14 Ca 0.13 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1b9r n ALA 14 Cb 0.75 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.50 0.00 -3.67 0.00 3.14 0.13 -4.73 118.33 112.71 1b9r n VAL 15 Ca 0.13 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.41 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 -0.33 0.03 6.55 1.01 -1.25 0.18 116.67 124.86 1b9r s ASP 16 Ca 0.00 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 52.90 1b9r s ASP 16 Cb 0.00 0.59 -0.00 0.00 1.01 0.00 0.00 42.92 44.52 1b9r s ASP 16 CO 0.00 -1.05 0.03 0.00 0.21 0.00 0.00 175.17 174.36 1b9r n ALA 17 N -0.35 0.07 -3.70 5.23 0.00 0.01 -4.68 120.51 117.09 1b9r n ALA 17 Ca -0.12 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 1b9r n ALA 17 Cb 0.63 0.16 -0.13 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.14 0.19 -0.40 0.00 -0.21 -1.26 0.28 119.66 116.11 1b9r s GLN 18 Ca 0.04 0.63 -0.36 0.00 0.02 0.00 0.00 55.36 55.69 1b9r s GLN 18 Cb 0.00 -0.08 -0.15 0.00 1.00 0.00 0.00 33.01 33.78 1b9r s GLN 18 CO 0.03 -0.21 1.73 -0.25 -2.12 0.00 0.00 175.29 174.46 1b9r n ASP 19 N 4.67 0.61 0.00 5.90 8.00 -1.26 -0.40 116.55 134.07 1b9r n ASP 19 Ca -0.18 0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1b9r n ASP 19 Cb 0.52 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 6.03 0.92 3.53 0.44 0.00 -0.09 -4.86 105.19 111.16 1b9r n GLY 20 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 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 1.95 0.39 1.61 -0.21 0.47 -4.75 119.66 119.11 1b9r s GLN 21 Ca 0.00 -1.14 0.07 0.00 0.02 0.00 0.00 55.36 54.31 1b9r s GLN 21 Cb 0.00 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.83 1b9r s GLN 21 CO 0.00 0.48 0.53 -1.54 -2.12 0.00 0.00 175.29 172.64 1b9r s SER 22 N -2.30 5.78 0.00 5.90 1.04 -1.25 0.25 113.70 123.13 1b9r s SER 22 Ca 0.20 -0.33 0.22 0.00 0.48 0.00 0.00 55.95 56.53 1b9r s SER 22 Cb -0.10 -0.88 1.34 0.00 0.10 0.00 0.00 66.02 66.47 1b9r s SER 22 CO 0.12 -0.64 1.77 0.18 0.98 0.00 0.00 173.24 175.66 1b9r n LEU 23 N -1.77 0.00 -0.05 2.42 4.32 -1.13 -2.01 117.00 118.78 1b9r n LEU 23 Ca 0.05 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.88 1b9r n LEU 23 Cb 0.59 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.25 1b9r n LEU 23 CO 0.40 0.00 -0.94 0.80 -1.22 0.00 0.00 177.39 176.43 1b9r n MET 24 N -0.91 0.69 0.11 3.23 0.00 -0.48 -4.00 117.12 115.76 1b9r n MET 24 Ca 0.17 0.20 -0.23 0.00 -0.00 0.00 0.00 57.70 57.84 1b9r n MET 24 Cb 0.08 -1.65 -0.15 0.00 0.00 0.00 0.00 33.22 31.50 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 0.03 0.55 -0.19 2.12 4.57 -1.72 -3.30 114.58 116.65 1b9r h GLU 25 Ca -0.46 -0.84 0.05 0.00 -1.18 0.00 0.00 59.36 56.93 1b9r h GLU 25 Cb 2.03 0.30 -0.07 0.00 -0.16 0.00 0.00 28.75 30.84 1b9r h GLU 25 CO 0.03 1.39 -0.42 0.28 -1.18 0.00 0.00 179.01 179.12 1b9r h VAL 26 N 0.14 0.15 0.00 0.32 2.07 -1.60 -2.67 116.25 114.66 1b9r h VAL 26 Ca -0.21 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1b9r h VAL 26 Cb 1.99 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1b9r h VAL 26 CO 0.25 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1b9r n ALA 27 N -2.95 0.00 -0.32 1.67 0.00 -1.24 0.34 120.51 118.00 1b9r n ALA 27 Ca -0.03 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.72 1b9r n ALA 27 Cb 0.36 0.14 0.68 0.00 0.00 0.00 0.00 19.45 20.63 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 0.43 0.01 0.00 1.35 -1.60 1.35 112.91 114.44 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 0.31 -0.02 0.00 -1.73 0.00 0.00 68.15 66.71 1b9r h THR 28 CO 0.00 0.02 -0.91 1.56 -0.25 0.00 0.00 175.52 175.94 1b9r h GLN 29 N 0.11 0.03 -0.17 4.72 1.08 0.61 -3.14 115.11 118.35 1b9r h GLN 29 Ca 0.58 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.73 1b9r h GLN 29 Cb 2.05 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.49 1b9r h GLN 29 CO -0.10 0.91 0.00 0.09 -0.95 0.00 0.00 178.83 178.78 1b9r n ASN 30 N -3.50 1.55 0.00 1.46 3.02 0.44 -4.87 115.26 113.36 1b9r n ASN 30 Ca -0.01 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 1b9r n ASN 30 Cb 0.85 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 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 1.09 2.20 3.33 7.41 0.00 0.18 -4.95 105.19 114.44 1b9r n GLY 31 Ca 0.15 0.00 -0.34 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 -2.00 0.00 0.73 1.61 0.31 0.10 -4.81 118.33 114.26 1b9r n VAL 32 Ca 0.00 -0.25 0.07 0.00 -0.01 0.00 0.00 64.34 64.15 1b9r n VAL 32 Cb 0.00 -0.50 0.37 0.00 -0.91 0.00 0.00 33.84 32.80 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 -0.90 0.28 -3.31 5.55 -0.02 -1.26 -4.08 135.00 131.25 1b9r n PRO 33 Ca 0.05 0.10 -0.15 0.00 -2.02 0.00 0.00 63.50 61.47 1b9r n PRO 33 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 -0.13 -0.79 2.48 -1.23 0.00 -1.26 -4.28 105.19 99.97 1b9r n GLY 34 Ca 0.08 0.37 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.84 0.00 0.00 -0.61 5.41 -1.26 -4.77 119.36 116.29 1b9r n ILE 35 Ca -0.20 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1b9r n ILE 35 Cb 0.42 -0.06 0.00 0.00 -0.71 0.00 0.00 39.64 39.29 1b9r n ILE 35 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1b9r n VAL 36 N 4.14 0.00 -2.78 1.39 0.24 -1.26 -4.81 118.33 115.26 1b9r n VAL 36 Ca 0.48 1.40 0.00 0.00 -2.04 0.00 0.00 64.34 64.18 1b9r n VAL 36 Cb 0.09 -2.39 0.00 0.00 -1.47 0.00 0.00 33.84 30.07 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 -1.74 0.00 -0.07 2.33 0.00 -1.26 -3.58 120.51 116.19 1b9r n ALA 37 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1b9r n ALA 37 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1b9r n ALA 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1b9r h GLU 38 N 0.00 0.00 -0.65 0.00 5.08 -1.95 -3.37 114.58 113.69 1b9r h GLU 38 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b9r h GLU 38 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1b9r h GLU 38 CO 0.00 0.14 0.40 0.00 -1.00 0.00 0.00 179.01 178.54 1b9r n GLY 40 N -1.36 -0.54 0.37 0.00 0.00 -1.24 -1.73 105.19 100.69 1b9r n GLY 40 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.53 1.51 0.00 -0.02 0.00 -1.26 -4.97 105.19 98.92 1b9r n GLY 41 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.37 0.33 -3.71 1.61 7.64 -0.70 -5.05 113.62 114.10 1b9r n SER 42 Ca 0.00 -1.13 -0.23 0.00 1.01 0.00 0.00 58.87 58.52 1b9r n SER 42 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -2.71 0.00 -4.29 0.00 0.31 -1.26 -5.07 118.33 105.30 1b9r n VAL 44 Ca -0.26 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.87 1b9r n VAL 44 Cb 0.66 0.50 -0.08 0.00 -0.91 0.00 0.00 33.84 34.01 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 -0.65 2.28 1.14 0.00 0.00 -1.26 -4.84 120.51 117.19 1b9r n ALA 46 Ca 0.07 -1.32 0.12 0.00 0.00 0.00 0.00 53.44 52.32 1b9r n ALA 46 Cb 0.62 -0.51 0.26 0.00 0.00 0.00 0.00 19.45 19.82 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 0.17 0.00 0.10 0.00 -2.24 -1.26 -3.95 114.28 107.10 1b9r n THR 47 Ca -0.00 -0.12 0.01 0.00 -2.27 0.00 0.00 64.05 61.67 1b9r n THR 47 Cb 0.83 0.55 0.17 0.00 -2.10 0.00 0.00 70.33 69.78 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 0.19 0.13 -2.56 0.00 1.74 -1.25 -3.76 116.66 111.15 1b9r n ARG 49 Ca 0.15 -0.78 -0.31 0.00 -0.77 0.00 0.00 57.85 56.14 1b9r n ARG 49 Cb 0.75 -2.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.60 1b9r n ARG 49 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1b9r s ILE 50 N 9.10 4.64 -0.24 0.55 1.10 -1.00 -4.33 121.20 131.02 1b9r s ILE 50 Ca 0.65 0.97 0.02 0.00 -0.51 0.00 0.00 60.65 61.78 1b9r s ILE 50 Cb -0.16 -3.73 0.06 0.00 0.15 0.00 0.00 42.46 38.78 1b9r s ILE 50 CO 0.17 -0.64 -0.08 -1.61 -2.11 0.00 0.00 174.94 170.67 1b9r s GLU 51 N -4.03 1.90 0.35 3.50 2.02 0.86 -1.63 118.70 121.68 1b9r s GLU 51 Ca 0.56 -1.13 -0.27 0.00 0.02 0.00 0.00 54.97 54.14 1b9r s GLU 51 Cb -0.10 -2.70 -0.09 0.00 0.10 0.00 0.00 34.13 31.33 1b9r s GLU 51 CO 0.32 -0.58 1.22 0.42 0.02 0.00 0.00 175.26 176.66 1b9r s ILE 52 N 1.27 3.01 0.94 -1.63 -1.09 -0.71 0.23 121.20 123.23 1b9r s ILE 52 Ca -0.07 0.95 -0.12 0.00 -2.23 0.00 0.00 60.65 59.18 1b9r s ILE 52 Cb -0.19 -3.58 0.07 0.00 -1.58 0.00 0.00 42.46 37.18 1b9r s ILE 52 CO -0.06 0.18 0.62 -1.84 -1.23 0.00 0.00 174.94 172.60 1b9r n GLU 53 N 0.59 -0.36 0.00 2.79 -0.00 0.58 -4.76 120.64 119.47 1b9r n GLU 53 Ca 0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 1b9r n GLU 53 Cb 0.44 -2.00 0.00 0.00 -0.00 0.00 0.00 31.44 29.88 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 -2.17 0.89 -0.02 -1.84 -0.08 -1.26 -2.55 116.55 109.51 1b9r n ASP 54 Ca 0.08 -1.56 -0.01 0.00 -1.51 0.00 0.00 54.79 51.79 1b9r n ASP 54 Cb 0.53 -0.39 -0.06 0.00 2.34 0.00 0.00 41.12 43.55 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 0.14 1.99 0.02 -1.67 0.00 -1.26 -4.66 120.51 115.07 1b9r n ALA 55 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 53.44 53.17 1b9r n ALA 55 Cb 0.21 -0.03 0.17 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.07 0.45 -0.01 0.00 7.02 -1.06 -4.38 117.44 117.39 1b9r n TRP 56 Ca -0.07 -0.35 -0.08 0.00 -1.02 0.00 0.00 57.50 55.97 1b9r n TRP 56 Cb 0.53 -0.01 0.08 0.00 -2.42 0.00 0.00 31.31 29.49 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 2.84 1.30 -0.00 -0.99 2.07 -1.82 3.66 116.25 123.30 1b9r h VAL 57 Ca 0.00 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1b9r h VAL 57 Cb 0.76 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1b9r h VAL 57 CO 0.00 0.51 -0.03 -0.62 0.02 0.00 0.00 177.57 177.45 1b9r n GLU 58 N -4.02 0.46 -0.10 1.57 -0.58 -1.26 -1.63 120.64 115.08 1b9r n GLU 58 Ca -0.02 -0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.53 1b9r n GLU 58 Cb 0.54 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.80 1b9r n GLU 58 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1b9r n ILE 59 N -1.23 1.25 0.00 -3.67 5.41 -0.15 -4.86 119.36 116.10 1b9r n ILE 59 Ca 0.14 -0.55 0.00 0.00 1.00 0.00 0.00 62.75 63.34 1b9r n ILE 59 Cb 0.25 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 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 -3.02 0.00 -2.40 1.39 0.31 1.19 -4.66 118.33 111.15 1b9r n VAL 60 Ca -0.36 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1b9r n VAL 60 Cb 0.95 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 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 2.62 0.00 0.18 2.92 0.00 -0.65 -4.67 105.19 105.60 1b9r n GLY 61 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.94 0.00 -6.46 1.61 4.39 -1.89 -3.46 114.58 109.70 1b9r h GLU 62 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1b9r h GLU 62 Cb 0.00 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 28.77 1b9r h GLU 62 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1b9r n ALA 63 N -1.96 -0.52 -1.97 3.43 0.00 -1.26 -4.98 120.51 113.25 1b9r n ALA 63 Ca 0.04 0.32 -0.23 0.00 0.00 0.00 0.00 53.44 53.57 1b9r n ALA 63 Cb 0.42 -1.96 0.06 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.70 4.94 0.00 0.00 4.22 -1.26 -4.92 114.94 117.22 1b9r s ASN 64 Ca 0.61 0.00 0.01 0.00 -2.14 0.00 0.00 52.86 51.34 1b9r s ASN 64 Cb -0.66 -0.71 0.08 0.00 1.28 0.00 0.00 41.25 41.23 1b9r s ASN 64 CO 0.59 -1.42 0.39 -0.81 -2.04 0.00 0.00 177.10 173.80 1b9r n PRO 65 N -2.59 0.07 -0.02 3.55 -0.04 -1.26 -3.03 135.00 131.68 1b9r n PRO 65 Ca 0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1b9r n PRO 65 Cb 0.60 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.76 1b9r n PRO 65 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1b9r n ASP 66 N -0.79 0.60 -0.27 3.54 8.00 -1.26 -3.71 116.55 122.66 1b9r n ASP 66 Ca 0.01 0.31 -0.04 0.00 0.71 0.00 0.00 54.79 55.78 1b9r n ASP 66 Cb 0.00 -0.61 0.01 0.00 -0.02 0.00 0.00 41.12 40.50 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 -0.33 -0.10 -0.77 -1.24 4.22 -1.92 2.30 114.58 116.74 1b9r h GLU 67 Ca 0.00 0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.55 1b9r h GLU 67 Cb 0.21 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1b9r h GLU 67 CO 0.00 -0.07 0.50 -0.97 -2.18 0.00 0.00 179.01 176.29 1b9r h ASN 68 N -0.11 0.61 0.13 1.04 -1.24 -1.80 -1.35 115.58 112.87 1b9r h ASN 68 Ca 0.26 0.02 -0.20 0.00 0.71 0.00 0.00 56.30 57.10 1b9r h ASN 68 Cb 0.57 -0.11 0.02 0.00 0.73 0.00 0.00 38.32 39.52 1b9r h ASN 68 CO -0.80 0.36 -0.89 -0.78 -1.29 0.00 0.00 177.43 174.04 1b9r h ASP 69 N 0.67 0.45 -0.41 1.15 1.82 0.15 -2.70 116.42 117.55 1b9r h ASP 69 Ca 0.35 -0.94 0.08 0.00 -0.39 0.00 0.00 57.03 56.14 1b9r h ASP 69 Cb 0.48 -0.15 -0.08 0.00 0.68 0.00 0.00 39.33 40.26 1b9r h ASP 69 CO -0.13 1.42 -0.14 0.25 -1.61 0.00 0.00 179.24 179.03 1b9r h LEU 70 N -0.38 -0.48 -0.23 2.28 5.85 0.40 0.53 115.31 123.27 1b9r h LEU 70 Ca -0.16 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1b9r h LEU 70 Cb 1.65 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.96 1b9r h LEU 70 CO 0.13 -0.17 -0.12 0.25 -0.34 0.00 0.00 178.44 178.20 1b9r h LEU 71 N -0.05 0.50 -1.50 2.25 5.85 -1.40 -3.03 115.31 117.95 1b9r h LEU 71 Ca 0.20 -0.41 0.15 0.00 0.84 0.00 0.00 57.88 58.66 1b9r h LEU 71 Cb 0.35 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1b9r h LEU 71 CO -0.44 0.81 0.53 1.56 -0.34 0.00 0.00 178.44 180.55 1b9r h GLN 72 N 0.20 0.47 0.00 1.25 1.08 -1.05 0.27 115.11 117.33 1b9r h GLN 72 Ca 0.05 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1b9r h GLN 72 Cb 0.62 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1b9r h GLN 72 CO 0.03 0.31 -0.00 1.03 -0.95 0.00 0.00 178.83 179.26 1b9r h SER 73 N 0.49 0.00 1.01 1.46 0.87 -0.78 -0.13 113.55 116.47 1b9r h SER 73 Ca 0.40 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.89 1b9r h SER 73 Cb 0.83 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1b9r h SER 73 CO -0.14 0.00 -0.32 0.71 -0.53 0.00 0.00 176.83 176.54 1b9r h THR 74 N 0.00 0.72 0.00 2.23 1.35 -0.56 -3.47 112.91 113.18 1b9r h THR 74 Ca -0.00 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1b9r h THR 74 Cb 0.01 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1b9r h THR 74 CO 0.00 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 1b9r n GLY 75 N 0.38 3.07 3.10 5.82 0.00 -0.06 -5.01 105.19 112.49 1b9r n GLY 75 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.66 2.70 0.42 1.61 2.02 -1.26 -5.07 118.70 118.45 1b9r s GLU 76 Ca 0.00 -2.65 -0.06 0.00 0.02 0.00 0.00 54.97 52.28 1b9r s GLU 76 Cb 0.00 -3.78 0.10 0.00 0.10 0.00 0.00 34.13 30.55 1b9r s GLU 76 CO 0.00 -1.19 0.22 -2.30 0.02 0.00 0.00 175.26 172.01 1b9r n PRO 77 N 3.31 -1.70 -1.08 0.39 -0.02 -1.26 -4.76 135.00 129.89 1b9r n PRO 77 Ca 0.10 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 1b9r n PRO 77 Cb 0.38 -0.57 0.00 0.00 -0.02 0.00 0.00 33.50 33.29 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 -2.19 1.75 -1.08 -0.52 2.81 -1.26 -5.02 117.12 111.62 1b9r n MET 78 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1b9r n MET 78 Cb 0.15 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.66 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 -0.52 0.00 -2.69 2.03 -2.24 -1.26 -5.04 114.28 104.56 1b9r n THR 79 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1b9r n THR 79 Cb 0.00 -0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 67.72 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 3.63 0.00 6.98 0.00 -1.26 -3.17 121.76 125.94 1b9r s ALA 80 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1b9r s ALA 80 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1b9r s ALA 80 CO 0.00 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.02 1b9r n GLY 81 N 3.54 0.72 3.78 0.00 0.00 -1.26 -4.90 105.19 107.07 1b9r n GLY 81 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.35 3.66 0.00 2.61 2.01 -1.19 -1.73 115.64 118.65 1b9r s THR 82 Ca 0.00 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.22 1b9r s THR 82 Cb 0.00 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1b9r s THR 82 CO 0.00 -0.04 0.00 0.54 -0.69 0.00 0.00 174.62 174.43 1b9r n ARG 83 N -0.28 0.00 -3.91 4.92 5.12 -0.64 -4.92 116.66 116.94 1b9r n ARG 83 Ca 0.06 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.63 1b9r n ARG 83 Cb 0.50 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.66 1b9r n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1b9r s LEU 84 N 0.00 3.95 0.57 0.55 1.02 -1.26 -2.37 118.68 121.14 1b9r s LEU 84 Ca 0.00 -1.33 0.27 0.00 0.02 0.00 0.00 54.13 53.09 1b9r s LEU 84 Cb 0.00 -1.71 1.64 0.00 0.02 0.00 0.00 46.19 46.15 1b9r s LEU 84 CO 0.00 -0.27 2.17 0.77 0.02 0.00 0.00 176.35 179.04 1b9r h SER 85 N 7.98 0.00 -0.64 2.29 4.64 -1.88 0.26 113.55 126.21 1b9r h SER 85 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1b9r h SER 85 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1b9r h SER 85 CO 0.54 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.50 1b9r n GLN 87 N 1.23 2.09 -3.90 0.00 -0.06 0.68 -4.95 117.38 112.48 1b9r n GLN 87 Ca 0.23 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.88 1b9r n GLN 87 Cb 0.73 -0.84 -0.07 0.00 -4.06 0.00 0.00 30.24 25.99 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 -1.43 5.27 0.16 1.69 1.01 0.10 -4.97 120.40 122.23 1b9r s VAL 88 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1b9r s VAL 88 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1b9r s VAL 88 CO 0.00 0.54 -0.14 -0.36 0.00 0.00 0.00 175.10 175.15 1b9r s PHE 89 N -0.39 1.52 0.72 5.22 0.40 -1.26 -3.43 117.98 120.76 1b9r s PHE 89 Ca 0.11 -0.61 -0.14 0.00 -0.60 0.00 0.00 56.93 55.70 1b9r s PHE 89 Cb -0.12 -0.75 0.04 0.00 0.51 0.00 0.00 43.02 42.70 1b9r s PHE 89 CO 0.01 0.23 1.14 0.42 0.70 0.00 0.00 175.22 177.72 1b9r s ILE 90 N -2.76 2.89 -0.10 0.64 -1.09 0.71 -4.78 121.20 116.71 1b9r s ILE 90 Ca 0.17 0.38 -0.33 0.00 -2.23 0.00 0.00 60.65 58.64 1b9r s ILE 90 Cb -0.01 -2.86 0.14 0.00 -1.58 0.00 0.00 42.46 38.15 1b9r s ILE 90 CO 0.04 -0.29 1.41 1.51 -1.23 0.00 0.00 174.94 176.38 1b9r s ASP 91 N -2.59 -0.01 0.00 3.58 1.47 -1.26 -0.92 116.67 116.93 1b9r s ASP 91 Ca 0.68 -0.03 -0.01 0.00 1.18 0.00 0.00 52.55 54.37 1b9r s ASP 91 Cb -0.22 0.04 -0.03 0.00 -0.34 0.00 0.00 42.92 42.36 1b9r s ASP 91 CO 0.47 -0.07 0.98 -2.65 0.68 0.00 0.00 175.17 174.58 1b9r n PRO 92 N -0.46 0.45 -0.20 2.11 -0.02 -1.26 -1.41 135.00 134.22 1b9r n PRO 92 Ca -0.08 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1b9r n PRO 92 Cb 0.63 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 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 2.20 0.00 -2.61 2.55 3.41 -1.26 -4.89 113.62 113.02 1b9r n SER 93 Ca 0.05 -1.31 -0.05 0.00 -0.26 0.00 0.00 58.87 57.30 1b9r n SER 93 Cb 0.22 -0.06 0.08 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.00 0.90 -3.34 4.33 2.81 -0.50 -4.40 117.12 116.92 1b9r n MET 94 Ca 0.00 -1.32 -0.38 0.00 -1.81 0.00 0.00 57.70 54.19 1b9r n MET 94 Cb 0.56 0.05 -0.07 0.00 -0.71 0.00 0.00 33.22 33.06 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 -0.86 6.57 -0.13 7.83 1.11 -1.26 -3.90 116.67 126.04 1b9r s ASP 95 Ca 0.14 0.68 -0.00 0.00 0.18 0.00 0.00 52.55 53.55 1b9r s ASP 95 Cb 0.30 -2.26 0.00 0.00 1.07 0.00 0.00 42.92 42.02 1b9r s ASP 95 CO -0.07 -0.05 0.02 0.61 1.18 0.00 0.00 175.17 176.86 1b9r n GLY 96 N 3.57 0.40 3.61 0.21 0.00 0.79 -4.71 105.19 109.05 1b9r n GLY 96 Ca -0.07 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.62 1.82 -0.20 0.99 1.43 0.71 -4.60 118.68 118.22 1b9r s LEU 97 Ca 0.01 1.70 -0.02 0.00 -1.03 0.00 0.00 54.13 54.79 1b9r s LEU 97 Cb -0.00 -3.89 0.06 0.00 0.03 0.00 0.00 46.19 42.39 1b9r s LEU 97 CO 0.01 -3.44 0.01 -0.63 0.23 0.00 0.00 176.35 172.54 1b9r s ILE 98 N -2.66 0.74 0.16 -0.59 1.09 -1.25 0.25 121.20 118.95 1b9r s ILE 98 Ca 0.66 -0.68 0.06 0.00 -1.10 0.00 0.00 60.65 59.60 1b9r s ILE 98 Cb -0.22 -1.18 -0.04 0.00 -1.06 0.00 0.00 42.46 39.96 1b9r s ILE 98 CO 0.60 -0.17 0.08 -0.69 -0.10 0.00 0.00 174.94 174.66 1b9r s VAL 99 N 1.76 4.17 0.16 2.92 1.01 1.70 0.21 120.40 132.33 1b9r s VAL 99 Ca -0.02 -1.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 1b9r s VAL 99 Cb -0.17 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1b9r s VAL 99 CO -0.07 -0.09 0.10 -0.13 0.00 0.00 0.00 175.10 174.91 1b9r s ARG 100 N -2.98 1.04 -0.18 2.72 0.52 0.63 0.23 118.95 120.94 1b9r s ARG 100 Ca 0.29 -1.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.03 1b9r s ARG 100 Cb -0.10 0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.67 1b9r s ARG 100 CO 0.21 -0.32 -0.13 0.08 0.02 0.00 0.00 175.30 175.16 1b9r s VAL 101 N -4.08 1.68 1.04 3.52 1.01 0.03 -0.09 120.40 123.51 1b9r s VAL 101 Ca 0.29 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1b9r s VAL 101 Cb 0.07 -1.66 0.25 0.00 0.00 0.00 0.00 36.38 35.04 1b9r s VAL 101 CO 0.05 0.32 1.21 -0.81 0.00 0.00 0.00 175.10 175.88 1b9r n PRO 102 N 4.70 -1.90 -3.45 2.72 -0.04 -1.26 -4.43 135.00 131.33 1b9r n PRO 102 Ca -0.16 -1.90 -0.37 0.00 -0.04 0.00 0.00 63.50 61.03 1b9r n PRO 102 Cb 0.48 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 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 4.31 0.00 1.53 1.43 -1.26 -4.95 118.68 119.74 1b9r s LEU 103 Ca 0.72 0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1b9r s LEU 103 Cb -0.04 -2.53 0.19 0.00 0.03 0.00 0.00 46.19 43.85 1b9r s LEU 103 CO 0.52 0.12 1.20 -0.81 0.23 0.00 0.00 176.35 177.61 1b9r n PRO 104 N 3.18 -0.87 0.00 1.29 -0.04 -1.26 -5.19 135.00 132.11 1b9r n PRO 104 Ca -0.11 -2.28 0.08 0.00 -0.04 0.00 0.00 63.50 61.15 1b9r n PRO 104 Cb 0.52 -1.11 0.45 0.00 -0.04 0.00 0.00 33.50 33.32 1b9r n PRO 104 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46