#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 0.22 -0.52 6.06 -1.26 -1.83 118.95 123.69 1b9r s ARG 2 Ca 0.00 -1.40 -0.19 0.00 -2.50 0.00 0.00 55.73 51.64 1b9r s ARG 2 Cb 0.00 -2.09 0.03 0.00 0.06 0.00 0.00 34.95 32.95 1b9r s ARG 2 CO 0.00 0.39 0.58 0.08 -2.50 0.00 0.00 175.30 173.86 1b9r s VAL 3 N -2.05 0.01 -0.25 7.11 1.01 0.62 0.27 120.40 127.13 1b9r s VAL 3 Ca 0.28 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1b9r s VAL 3 Cb -0.07 -1.65 0.13 0.00 0.00 0.00 0.00 36.38 34.79 1b9r s VAL 3 CO 0.17 -0.06 0.42 -0.69 0.00 0.00 0.00 175.10 174.94 1b9r s VAL 4 N -3.88 -0.67 0.78 2.92 1.01 0.28 0.25 120.40 121.09 1b9r s VAL 4 Ca 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1b9r s VAL 4 Cb -0.02 -0.82 0.14 0.00 0.00 0.00 0.00 36.38 35.68 1b9r s VAL 4 CO -0.01 -0.07 1.07 -0.36 0.00 0.00 0.00 175.10 175.72 1b9r s PHE 5 N 2.60 1.56 0.11 5.22 0.40 0.27 0.40 117.98 128.54 1b9r s PHE 5 Ca 0.11 -0.16 -0.15 0.00 -0.60 0.00 0.00 56.93 56.13 1b9r s PHE 5 Cb -0.15 -3.23 0.03 0.00 0.51 0.00 0.00 43.02 40.18 1b9r s PHE 5 CO -0.16 -1.93 0.38 0.42 0.70 0.00 0.00 175.22 174.63 1b9r s ILE 6 N -3.31 0.08 0.01 0.64 -1.09 0.74 -0.10 121.20 118.17 1b9r s ILE 6 Ca 0.68 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 58.46 1b9r s ILE 6 Cb -0.05 -1.16 0.00 0.00 -1.58 0.00 0.00 42.46 39.67 1b9r s ILE 6 CO 0.46 -0.35 0.05 -0.67 -1.23 0.00 0.00 174.94 173.21 1b9r n ASP 7 N -0.12 -0.08 -0.65 3.58 -0.08 -1.26 -0.56 116.55 117.38 1b9r n ASP 7 Ca -0.16 -1.03 0.08 0.00 -1.51 0.00 0.00 54.79 52.16 1b9r n ASP 7 Cb 0.63 0.12 0.08 0.00 2.34 0.00 0.00 41.12 44.29 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 -0.04 1.33 0.01 -0.67 2.13 -1.26 -2.33 120.64 119.81 1b9r n GLU 8 Ca 0.00 -1.51 -0.20 0.00 0.66 0.00 0.00 57.16 56.11 1b9r n GLU 8 Cb 0.03 -1.31 -0.14 0.00 0.27 0.00 0.00 31.44 30.29 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 3.08 0.25 0.00 5.31 7.50 -1.96 -3.40 115.11 125.89 1b9r h GLN 9 Ca 0.00 -0.43 0.00 0.00 0.50 0.00 0.00 58.65 58.72 1b9r h GLN 9 Cb 0.67 0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.36 1b9r h GLN 9 CO 0.00 1.15 0.00 0.45 -1.50 0.00 0.00 178.83 178.93 1b9r n SER 10 N -3.45 0.62 -1.24 1.46 2.88 -1.26 -4.99 113.62 107.64 1b9r n SER 10 Ca -0.29 -1.18 -0.15 0.00 -1.33 0.00 0.00 58.87 55.92 1b9r n SER 10 Cb 1.05 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.45 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 -0.09 1.39 0.00 0.46 0.00 -0.98 -4.82 105.19 101.15 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 -1.62 0.00 -3.05 1.61 2.13 -1.26 -4.57 120.64 113.88 1b9r n GLU 12 Ca -0.15 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.51 1b9r n GLU 12 Cb 0.56 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.27 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 -0.57 -0.83 -1.58 4.31 4.02 0.85 -4.74 117.16 118.62 1b9r n TYR 13 Ca 0.00 -3.26 -0.40 0.00 -0.01 0.00 0.00 57.90 54.23 1b9r n TYR 13 Cb 0.00 0.20 0.02 0.00 -0.02 0.00 0.00 39.34 39.54 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 0.53 -0.15 -3.00 -0.72 0.00 -1.25 -0.57 120.51 115.35 1b9r n ALA 14 Ca 0.19 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1b9r n ALA 14 Cb 0.65 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.85 0.00 -3.61 0.00 3.14 0.70 -4.75 118.33 112.96 1b9r n VAL 15 Ca 0.11 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.39 1b9r n VAL 15 Cb 0.41 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.17 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 0.18 6.55 1.11 -1.24 0.23 116.67 125.06 1b9r s ASP 16 Ca 0.00 -0.26 0.02 0.00 0.18 0.00 0.00 52.55 52.50 1b9r s ASP 16 Cb 0.00 0.65 -0.01 0.00 1.07 0.00 0.00 42.92 44.63 1b9r s ASP 16 CO 0.00 -1.12 0.19 0.00 1.18 0.00 0.00 175.17 175.42 1b9r n ALA 17 N -0.41 0.17 -3.72 5.23 0.00 -0.76 -4.67 120.51 116.35 1b9r n ALA 17 Ca -0.11 -0.97 -0.18 0.00 0.00 0.00 0.00 53.44 52.18 1b9r n ALA 17 Cb 0.62 0.78 -0.17 0.00 0.00 0.00 0.00 19.45 20.69 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 -2.61 0.12 -0.42 0.00 -0.21 -1.26 0.29 119.66 115.56 1b9r s GLN 18 Ca 0.19 0.20 -0.38 0.00 0.02 0.00 0.00 55.36 55.38 1b9r s GLN 18 Cb 0.00 -0.46 -0.16 0.00 1.00 0.00 0.00 33.01 33.39 1b9r s GLN 18 CO 0.14 -0.21 1.68 -0.25 -2.12 0.00 0.00 175.29 174.52 1b9r n ASP 19 N 4.55 0.76 0.00 5.90 8.00 -1.26 -0.72 116.55 133.78 1b9r n ASP 19 Ca -0.19 0.71 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1b9r n ASP 19 Cb 0.50 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 5.47 1.09 3.49 0.44 0.00 -0.06 -4.86 105.19 110.76 1b9r n GLY 20 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 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 1.75 0.26 1.61 -0.21 0.11 -4.69 119.66 118.49 1b9r s GLN 21 Ca 0.00 -1.36 0.04 0.00 0.02 0.00 0.00 55.36 54.05 1b9r s GLN 21 Cb 0.00 -2.01 0.04 0.00 1.00 0.00 0.00 33.01 32.05 1b9r s GLN 21 CO 0.00 0.43 0.36 -1.13 -2.12 0.00 0.00 175.29 172.83 1b9r n SER 22 N 0.32 0.87 -0.77 5.90 3.41 -1.20 0.26 113.62 122.42 1b9r n SER 22 Ca -0.13 -1.65 0.09 0.00 -0.26 0.00 0.00 58.87 56.93 1b9r n SER 22 Cb 0.55 -0.20 0.27 0.00 -0.26 0.00 0.00 64.21 64.57 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 2.27 -0.07 1.04 4.32 -1.25 -3.12 117.00 120.19 1b9r n LEU 23 Ca 0.07 -1.04 -0.05 0.00 -0.02 0.00 0.00 56.01 54.97 1b9r n LEU 23 Cb 0.26 -0.21 -0.15 0.00 -1.62 0.00 0.00 43.42 41.69 1b9r n LEU 23 CO 0.17 0.52 -0.96 0.80 -1.22 0.00 0.00 177.39 176.70 1b9r n MET 24 N 0.72 0.67 0.02 3.23 0.00 -1.26 -4.10 117.12 116.40 1b9r n MET 24 Ca 0.16 -0.01 -0.21 0.00 -0.00 0.00 0.00 57.70 57.65 1b9r n MET 24 Cb 0.39 -1.56 -0.14 0.00 0.00 0.00 0.00 33.22 31.91 1b9r n MET 24 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1b9r h GLU 25 N 0.00 0.27 -0.13 2.12 4.22 -1.95 -3.36 114.58 115.74 1b9r h GLU 25 Ca -0.39 -0.46 0.04 0.00 0.08 0.00 0.00 59.36 58.64 1b9r h GLU 25 Cb 1.92 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 31.28 1b9r h GLU 25 CO 0.03 1.18 -0.44 0.28 -2.18 0.00 0.00 179.01 177.88 1b9r h VAL 26 N 0.07 0.11 0.00 0.32 2.07 -1.75 -2.67 116.25 114.40 1b9r h VAL 26 Ca -0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1b9r h VAL 26 Cb 2.04 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1b9r h VAL 26 CO 0.10 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1b9r n ALA 27 N -2.95 0.00 -0.32 1.67 0.00 -1.26 0.33 120.51 117.99 1b9r n ALA 27 Ca -0.04 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.75 1b9r n ALA 27 Cb 0.37 0.14 0.75 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 0.36 0.03 0.00 1.35 -1.66 1.63 112.91 114.63 1b9r h THR 28 Ca 0.00 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.64 1b9r h THR 28 Cb 0.00 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 66.78 1b9r h THR 28 CO 0.00 0.00 -1.04 1.56 -0.25 0.00 0.00 175.52 175.79 1b9r h GLN 29 N 0.00 0.08 -0.21 4.72 4.20 0.59 -3.20 115.11 121.29 1b9r h GLN 29 Ca 0.56 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1b9r h GLN 29 Cb 2.32 0.05 0.00 0.00 0.30 0.00 0.00 27.48 30.15 1b9r h GLN 29 CO -0.01 1.04 0.00 0.09 -0.67 0.00 0.00 178.83 179.29 1b9r n ASN 30 N -3.44 1.54 0.00 1.46 3.02 0.54 -4.87 115.26 113.51 1b9r n ASN 30 Ca -0.02 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1b9r n ASN 30 Cb 0.94 -0.14 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 1.05 2.04 3.31 7.41 0.00 -0.02 -4.94 105.19 114.05 1b9r n GLY 31 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 0.56 1.61 0.31 -0.21 -4.79 118.33 113.80 1b9r n VAL 32 Ca 0.00 -0.25 0.05 0.00 -0.01 0.00 0.00 64.34 64.13 1b9r n VAL 32 Cb 0.00 -0.49 0.28 0.00 -0.91 0.00 0.00 33.84 32.72 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 0.23 -3.42 5.55 -0.02 -1.26 -4.30 135.00 130.89 1b9r n PRO 33 Ca 0.04 0.11 -0.16 0.00 -2.02 0.00 0.00 63.50 61.47 1b9r n PRO 33 Cb 0.56 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.38 -0.55 0.00 -1.23 0.00 -1.26 -4.52 105.19 97.24 1b9r n GLY 34 Ca 0.06 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.06 0.00 0.00 -0.61 -0.00 -1.26 -4.57 119.36 110.86 1b9r n ILE 35 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 1b9r n ILE 35 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.96 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 0.00 0.00 -2.85 1.39 3.14 -1.26 -5.06 118.33 113.69 1b9r n VAL 36 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1b9r n VAL 36 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 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 0.00 -2.96 0.03 1.55 0.00 -1.26 -4.95 120.51 112.92 1b9r n ALA 37 Ca 0.00 0.68 -0.18 0.00 0.00 0.00 0.00 53.44 53.93 1b9r n ALA 37 Cb 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 19.45 17.81 1b9r n ALA 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1b9r h GLU 38 N 3.55 0.24 0.00 0.00 4.81 -1.98 -3.31 114.58 117.89 1b9r h GLU 38 Ca -0.10 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1b9r h GLU 38 Cb 0.47 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1b9r h GLU 38 CO 0.05 1.09 0.00 0.00 -0.73 0.00 0.00 179.01 179.42 1b9r n GLY 40 N -0.88 0.45 0.00 0.00 0.00 -1.25 -2.95 105.19 100.56 1b9r n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.93 1.23 0.20 -0.02 0.00 -1.26 -5.03 105.19 98.38 1b9r n GLY 41 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1b9r n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b9r n SER 42 N 0.00 1.22 -3.33 1.61 3.41 -1.15 -5.03 113.62 110.35 1b9r n SER 42 Ca 0.00 -2.31 -0.14 0.00 -0.26 0.00 0.00 58.87 56.16 1b9r n SER 42 Cb 0.00 -0.24 0.03 0.00 -0.26 0.00 0.00 64.21 63.74 1b9r n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b9r n VAL 44 N -2.77 0.00 -4.39 0.00 0.31 -1.26 -5.08 118.33 105.13 1b9r n VAL 44 Ca -0.08 -0.31 -0.22 0.00 -0.01 0.00 0.00 64.34 63.72 1b9r n VAL 44 Cb 0.57 1.33 -0.08 0.00 -0.91 0.00 0.00 33.84 34.75 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 -0.76 2.03 0.03 0.00 0.00 -1.26 -4.86 120.51 115.70 1b9r n ALA 46 Ca 0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 53.44 52.63 1b9r n ALA 46 Cb 0.63 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 19.61 1b9r n ALA 46 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1b9r h THR 47 N 6.49 0.70 0.00 0.00 2.02 -2.03 -3.30 112.91 116.81 1b9r h THR 47 Ca -0.02 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1b9r h THR 47 Cb 1.32 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 1b9r h THR 47 CO 0.00 0.40 0.00 0.00 0.37 0.00 0.00 175.52 176.29 1b9r n ARG 49 N -1.58 0.00 -2.80 0.00 0.63 -1.25 -4.58 116.66 107.09 1b9r n ARG 49 Ca 0.01 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.75 1b9r n ARG 49 Cb 0.08 -0.45 0.04 0.00 0.45 0.00 0.00 32.46 32.58 1b9r n ARG 49 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1b9r s ILE 50 N 0.00 2.66 -0.12 5.15 2.07 -1.21 -4.34 121.20 125.40 1b9r s ILE 50 Ca 0.51 -0.81 -0.02 0.00 -1.41 0.00 0.00 60.65 58.92 1b9r s ILE 50 Cb -0.33 -2.86 0.04 0.00 0.13 0.00 0.00 42.46 39.45 1b9r s ILE 50 CO 0.22 0.00 0.02 -1.61 -1.91 0.00 0.00 174.94 171.66 1b9r s GLU 51 N -4.66 0.55 0.35 3.50 2.02 0.12 -1.56 118.70 119.02 1b9r s GLU 51 Ca 0.58 -0.08 -0.28 0.00 0.02 0.00 0.00 54.97 55.21 1b9r s GLU 51 Cb -0.09 -1.43 -0.09 0.00 0.10 0.00 0.00 34.13 32.61 1b9r s GLU 51 CO 0.37 -0.46 1.22 0.42 0.02 0.00 0.00 175.26 176.84 1b9r s ILE 52 N 1.96 2.98 0.75 -1.63 -1.09 -1.08 0.26 121.20 123.36 1b9r s ILE 52 Ca 0.03 0.93 -0.15 0.00 -2.23 0.00 0.00 60.65 59.22 1b9r s ILE 52 Cb -0.14 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1b9r s ILE 52 CO -0.06 0.18 0.81 -1.84 -1.23 0.00 0.00 174.94 172.79 1b9r n GLU 53 N 0.59 0.33 0.00 2.79 -0.00 0.10 -4.75 120.64 119.71 1b9r n GLU 53 Ca 0.01 0.17 0.00 0.00 -0.00 0.00 0.00 57.16 57.34 1b9r n GLU 53 Cb 0.44 -2.09 0.00 0.00 -0.00 0.00 0.00 31.44 29.79 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 -1.38 0.55 -0.02 -1.84 9.92 -1.26 -2.16 116.55 120.35 1b9r n ASP 54 Ca 0.12 -1.02 -0.01 0.00 -0.53 0.00 0.00 54.79 53.34 1b9r n ASP 54 Cb 0.50 -0.26 -0.05 0.00 -0.64 0.00 0.00 41.12 40.68 1b9r n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b9r n ALA 55 N 0.26 1.97 0.54 2.24 0.00 -1.26 -4.68 120.51 119.57 1b9r n ALA 55 Ca 0.00 -0.31 0.09 0.00 0.00 0.00 0.00 53.44 53.22 1b9r n ALA 55 Cb 0.13 0.03 0.11 0.00 0.00 0.00 0.00 19.45 19.72 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 0.15 -0.05 0.00 7.02 -0.92 -4.33 117.44 117.24 1b9r n TRP 56 Ca -0.07 -0.10 -0.05 0.00 -1.02 0.00 0.00 57.50 56.26 1b9r n TRP 56 Cb 0.53 -0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.58 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 3.47 1.26 -0.00 -0.99 2.07 -1.83 3.25 116.25 123.48 1b9r h VAL 57 Ca 0.00 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1b9r h VAL 57 Cb 0.77 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1b9r h VAL 57 CO 0.00 0.40 -0.05 -0.62 0.02 0.00 0.00 177.57 177.32 1b9r n GLU 58 N -4.15 0.62 -0.11 1.57 1.02 -1.26 -1.67 120.64 116.66 1b9r n GLU 58 Ca 0.01 -0.12 -0.16 0.00 -0.02 0.00 0.00 57.16 56.87 1b9r n GLU 58 Cb 0.38 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.08 1.33 0.00 -3.67 5.41 0.48 -4.86 119.36 116.97 1b9r n ILE 59 Ca 0.15 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1b9r n ILE 59 Cb 0.25 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 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 -3.15 0.00 -2.32 1.39 0.31 1.05 -4.63 118.33 110.99 1b9r n VAL 60 Ca -0.40 0.08 -0.08 0.00 -0.01 0.00 0.00 64.34 63.92 1b9r n VAL 60 Cb 0.95 -0.76 -0.02 0.00 -0.91 0.00 0.00 33.84 33.10 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 2.38 -0.06 0.20 2.92 0.00 -0.67 -4.66 105.19 105.29 1b9r n GLY 61 Ca 0.00 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.01 0.00 -6.59 1.61 5.08 -1.89 -3.46 114.58 109.32 1b9r h GLU 62 Ca -0.12 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.68 1b9r h GLU 62 Cb 0.28 0.00 0.20 0.00 0.50 0.00 0.00 28.75 29.73 1b9r h GLU 62 CO 0.17 0.21 -0.67 0.00 -1.00 0.00 0.00 179.01 177.72 1b9r n ALA 63 N -2.17 -2.43 -1.98 3.43 0.00 -1.26 -5.00 120.51 111.10 1b9r n ALA 63 Ca 0.02 -0.41 -0.24 0.00 0.00 0.00 0.00 53.44 52.81 1b9r n ALA 63 Cb 0.53 -1.73 0.12 0.00 0.00 0.00 0.00 19.45 18.37 1b9r n ALA 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1b9r s ASN 64 N -1.58 4.21 0.00 0.00 2.20 -1.26 -4.95 114.94 113.57 1b9r s ASN 64 Ca 0.59 -0.27 0.00 0.00 -0.94 0.00 0.00 52.86 52.25 1b9r s ASN 64 Cb -0.29 -0.08 0.00 0.00 -2.00 0.00 0.00 41.25 38.88 1b9r s ASN 64 CO 0.65 -1.96 0.65 -2.65 -2.94 0.00 0.00 177.10 170.85 1b9r n PRO 65 N -2.95 0.76 -0.04 3.55 -0.02 -1.26 -3.76 135.00 131.29 1b9r n PRO 65 Ca 0.15 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.60 1b9r n PRO 65 Cb 0.60 -1.11 -0.01 0.00 -0.02 0.00 0.00 33.50 32.96 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 -0.32 0.92 -0.39 2.55 9.92 -1.26 -3.03 116.55 124.94 1b9r n ASP 66 Ca 0.00 0.40 0.32 0.00 -0.53 0.00 0.00 54.79 54.98 1b9r n ASP 66 Cb 0.06 -0.68 0.61 0.00 -0.64 0.00 0.00 41.12 40.47 1b9r n ASP 66 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1b9r h GLU 67 N -0.50 0.19 0.00 -1.24 -0.00 -1.97 1.72 114.58 112.78 1b9r h GLU 67 Ca 0.00 -0.01 -0.19 0.00 -0.00 0.00 0.00 59.36 59.15 1b9r h GLU 67 Cb 0.29 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 28.97 1b9r h GLU 67 CO 0.00 0.13 -0.92 -0.97 -0.00 0.00 0.00 179.01 177.25 1b9r h ASN 68 N 0.20 0.02 1.28 3.06 -0.00 -1.75 -2.68 115.58 115.71 1b9r h ASN 68 Ca 0.70 -0.02 -0.07 0.00 -0.00 0.00 0.00 56.30 56.92 1b9r h ASN 68 Cb 2.15 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 40.46 1b9r h ASN 68 CO -0.31 0.93 -0.75 -0.78 -0.00 0.00 0.00 177.43 176.52 1b9r h ASP 69 N 0.01 0.00 0.18 1.15 3.58 0.20 -2.78 116.42 118.75 1b9r h ASP 69 Ca -0.01 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.13 1b9r h ASP 69 Cb 1.62 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.70 1b9r h ASP 69 CO 0.12 0.27 -1.30 0.25 -2.88 0.00 0.00 179.24 175.70 1b9r h LEU 70 N 0.00 0.84 0.00 2.28 6.46 0.17 -2.94 115.31 122.13 1b9r h LEU 70 Ca -0.04 -0.87 -0.00 0.00 -0.12 0.00 0.00 57.88 56.85 1b9r h LEU 70 Cb 1.24 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1b9r h LEU 70 CO 0.03 1.63 -0.04 -0.07 -0.62 0.00 0.00 178.44 179.37 1b9r h LEU 71 N 0.17 0.00 -0.06 2.25 -0.00 -1.59 -3.03 115.31 113.05 1b9r h LEU 71 Ca -0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.53 1b9r h LEU 71 Cb 1.99 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.63 1b9r h LEU 71 CO 0.25 0.02 -0.64 1.56 -0.00 0.00 0.00 178.44 179.63 1b9r h GLN 72 N 0.00 0.00 0.00 1.13 1.08 -1.55 -3.24 115.11 112.53 1b9r h GLN 72 Ca -0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 1b9r h GLN 72 Cb 1.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.42 1b9r h GLN 72 CO 0.00 0.64 -0.92 1.03 -0.95 0.00 0.00 178.83 178.63 1b9r h SER 73 N 0.00 0.00 0.21 1.46 0.87 -1.50 -3.36 113.55 111.23 1b9r h SER 73 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1b9r h SER 73 Cb 1.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1b9r h SER 73 CO 0.08 0.44 -0.10 0.71 -0.53 0.00 0.00 176.83 177.43 1b9r h THR 74 N 0.00 0.85 0.00 2.23 1.35 -1.55 -3.48 112.91 112.31 1b9r h THR 74 Ca -0.07 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1b9r h THR 74 Cb 1.39 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1b9r h THR 74 CO 0.04 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1b9r n GLY 75 N -0.69 0.28 3.68 5.82 0.00 -1.24 -5.13 105.19 107.91 1b9r n GLY 75 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 3.46 0.80 1.61 0.41 -1.24 -5.11 118.70 118.63 1b9r s GLU 76 Ca 0.00 -0.35 -0.12 0.00 -0.41 0.00 0.00 54.97 54.09 1b9r s GLU 76 Cb 0.00 -3.01 0.07 0.00 -1.78 0.00 0.00 34.13 29.41 1b9r s GLU 76 CO 0.00 0.53 1.10 -1.25 -0.49 0.00 0.00 175.26 175.15 1b9r s PRO 77 N -0.37 2.04 0.36 0.39 0.04 -1.26 -4.63 135.00 131.57 1b9r s PRO 77 Ca 0.08 0.56 -0.14 0.00 0.04 0.00 0.00 61.00 61.54 1b9r s PRO 77 Cb -0.12 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.54 1b9r s PRO 77 CO 0.02 -1.64 0.72 -1.64 0.04 0.00 0.00 177.00 174.50 1b9r s MET 78 N -5.21 2.11 0.02 4.56 1.00 -1.26 -5.11 119.30 115.41 1b9r s MET 78 Ca 0.61 -1.44 -0.03 0.00 0.00 0.00 0.00 55.69 54.83 1b9r s MET 78 Cb -0.14 0.59 -0.01 0.00 0.00 0.00 0.00 34.83 35.27 1b9r s MET 78 CO 0.54 -0.96 0.03 0.95 0.00 0.00 0.00 175.02 175.58 1b9r s THR 79 N -2.68 0.11 -0.57 2.05 -4.23 -1.26 -5.03 115.64 104.03 1b9r s THR 79 Ca 0.18 -0.88 -0.36 0.00 -1.18 0.00 0.00 61.69 59.45 1b9r s THR 79 Cb -0.04 -0.40 -0.18 0.00 1.34 0.00 0.00 72.50 73.22 1b9r s THR 79 CO 0.12 -0.48 2.03 0.00 -0.54 0.00 0.00 174.62 175.76 1b9r n ALA 80 N 1.45 0.21 0.00 3.99 0.00 -1.26 0.87 120.51 125.77 1b9r n ALA 80 Ca -0.23 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1b9r n ALA 80 Cb 0.56 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1b9r n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b9r n GLY 81 N 6.39 0.51 3.55 0.00 0.00 -1.26 -4.87 105.19 109.51 1b9r n GLY 81 Ca 0.51 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.08 3.53 -0.14 2.61 2.01 0.25 -2.62 115.64 120.19 1b9r s THR 82 Ca 0.00 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 1b9r s THR 82 Cb 0.00 -4.38 0.13 0.00 0.01 0.00 0.00 72.50 68.26 1b9r s THR 82 CO 0.00 -1.33 1.04 0.00 -0.69 0.00 0.00 174.62 173.64 1b9r s ARG 83 N 6.44 0.55 -0.16 4.92 1.70 -0.60 -4.65 118.95 127.14 1b9r s ARG 83 Ca 0.54 0.00 -0.32 0.00 -0.47 0.00 0.00 55.73 55.48 1b9r s ARG 83 Cb -0.10 0.26 -0.09 0.00 -0.57 0.00 0.00 34.95 34.45 1b9r s ARG 83 CO 0.16 -0.20 2.07 1.47 -1.08 0.00 0.00 175.30 177.72 1b9r n LEU 84 N 0.39 3.24 -0.09 -1.89 -0.00 -1.26 -3.35 117.00 114.05 1b9r n LEU 84 Ca -0.07 0.61 0.12 0.00 -0.00 0.00 0.00 56.01 56.67 1b9r n LEU 84 Cb 0.59 -1.43 0.29 0.00 -0.00 0.00 0.00 43.42 42.87 1b9r n LEU 84 CO 0.13 -0.35 0.52 -0.24 -0.00 0.00 0.00 177.39 177.45 1b9r n SER 85 N 9.03 0.69 0.24 1.45 2.88 -1.26 -4.04 113.62 122.61 1b9r n SER 85 Ca 0.28 -0.48 0.13 0.00 -1.33 0.00 0.00 58.87 57.47 1b9r n SER 85 Cb 0.35 0.21 0.68 0.00 -0.75 0.00 0.00 64.21 64.70 1b9r n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b9r n GLN 87 N -2.51 1.90 -3.71 0.00 7.27 -1.26 -4.85 117.38 114.22 1b9r n GLN 87 Ca -0.02 -1.80 -0.37 0.00 0.07 0.00 0.00 57.00 54.88 1b9r n GLN 87 Cb 0.24 -1.39 -0.12 0.00 2.41 0.00 0.00 30.24 31.37 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 -1.53 4.48 -0.03 1.69 1.01 0.29 -4.92 120.40 121.39 1b9r s VAL 88 Ca 0.26 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1b9r s VAL 88 Cb 0.17 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1b9r s VAL 88 CO 0.25 0.26 -0.06 -0.36 0.00 0.00 0.00 175.10 175.19 1b9r s PHE 89 N 1.63 2.93 0.98 5.22 0.08 -1.26 -3.23 117.98 124.33 1b9r s PHE 89 Ca 0.06 0.01 -0.14 0.00 0.12 0.00 0.00 56.93 56.98 1b9r s PHE 89 Cb -0.16 -1.66 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 1b9r s PHE 89 CO 0.05 0.37 0.24 -0.89 -0.10 0.00 0.00 175.22 174.89 1b9r n ILE 90 N 1.83 0.00 -3.61 0.64 2.08 0.73 -4.56 119.36 116.48 1b9r n ILE 90 Ca -0.16 -0.23 0.01 0.00 0.56 0.00 0.00 62.75 62.93 1b9r n ILE 90 Cb 0.53 -0.57 -0.01 0.00 -0.75 0.00 0.00 39.64 38.84 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 -1.91 -0.06 0.00 4.38 -4.77 -1.26 -0.88 116.67 112.17 1b9r s ASP 91 Ca 0.55 -0.10 -0.01 0.00 -3.30 0.00 0.00 52.55 49.69 1b9r s ASP 91 Cb -0.19 0.14 -0.03 0.00 -1.09 0.00 0.00 42.92 41.75 1b9r s ASP 91 CO 0.68 -0.26 0.90 -2.65 0.70 0.00 0.00 175.17 174.54 1b9r n PRO 92 N -0.43 0.40 0.00 2.11 -0.02 -1.26 -1.28 135.00 134.52 1b9r n PRO 92 Ca -0.07 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1b9r n PRO 92 Cb 0.62 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 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 2.27 0.00 -2.29 2.55 3.41 -1.26 -4.86 113.62 113.44 1b9r n SER 93 Ca 0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.35 1b9r n SER 93 Cb 0.19 0.00 0.04 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 -1.13 3.13 -3.25 4.33 2.81 -0.40 -4.80 117.12 117.80 1b9r n MET 94 Ca 0.00 -3.78 -0.39 0.00 -1.81 0.00 0.00 57.70 51.73 1b9r n MET 94 Cb 0.00 -2.28 -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 -2.60 6.70 -0.54 7.83 1.01 -1.24 -3.36 116.67 124.47 1b9r s ASP 95 Ca 0.56 0.84 0.00 0.00 0.71 0.00 0.00 52.55 54.66 1b9r s ASP 95 Cb 0.45 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 42.07 1b9r s ASP 95 CO -0.05 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 175.86 1b9r n GLY 96 N 3.41 0.36 3.79 0.21 0.00 0.78 -4.73 105.19 109.00 1b9r n GLY 96 Ca -0.05 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.57 3.30 -0.07 0.99 0.05 -0.25 -4.65 118.68 116.48 1b9r s LEU 97 Ca 0.00 1.82 0.05 0.00 0.05 0.00 0.00 54.13 56.05 1b9r s LEU 97 Cb 0.00 -4.53 -0.01 0.00 -2.05 0.00 0.00 46.19 39.60 1b9r s LEU 97 CO 0.00 -1.51 -0.24 -0.63 -0.55 0.00 0.00 176.35 173.42 1b9r s ILE 98 N -2.65 2.16 0.22 1.48 1.09 -1.25 0.10 121.20 122.35 1b9r s ILE 98 Ca 0.63 -1.02 0.10 0.00 -1.10 0.00 0.00 60.65 59.26 1b9r s ILE 98 Cb -0.17 -1.80 -0.05 0.00 -1.06 0.00 0.00 42.46 39.39 1b9r s ILE 98 CO 0.46 0.57 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.98 1b9r s VAL 99 N -0.09 2.14 0.10 2.92 1.01 1.33 0.02 120.40 127.84 1b9r s VAL 99 Ca -0.06 -2.18 -0.04 0.00 0.00 0.00 0.00 61.98 59.70 1b9r s VAL 99 Cb -0.14 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1b9r s VAL 99 CO 0.04 -0.37 0.11 -0.13 0.00 0.00 0.00 175.10 174.75 1b9r s ARG 100 N -3.20 0.85 -0.05 2.72 0.52 0.74 0.26 118.95 120.79 1b9r s ARG 100 Ca 0.23 -1.20 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 1b9r s ARG 100 Cb -0.05 0.28 -0.02 0.00 0.52 0.00 0.00 34.95 35.68 1b9r s ARG 100 CO 0.10 -0.25 -0.16 0.08 0.02 0.00 0.00 175.30 175.09 1b9r s VAL 101 N -3.95 2.87 0.71 3.52 1.01 0.28 0.16 120.40 125.00 1b9r s VAL 101 Ca 0.13 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1b9r s VAL 101 Cb 0.06 -2.11 0.18 0.00 0.00 0.00 0.00 36.38 34.51 1b9r s VAL 101 CO -0.05 0.59 0.52 -0.81 0.00 0.00 0.00 175.10 175.35 1b9r n PRO 102 N 2.41 -2.77 -2.97 2.72 -0.04 -1.26 -4.69 135.00 128.40 1b9r n PRO 102 Ca -0.17 -0.86 -0.40 0.00 -0.04 0.00 0.00 63.50 62.03 1b9r n PRO 102 Cb 0.52 -0.93 -0.04 0.00 -0.04 0.00 0.00 33.50 33.01 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 4.36 0.00 1.53 1.43 -1.26 -4.82 118.68 119.93 1b9r s LEU 103 Ca 0.37 1.34 -0.18 0.00 -1.03 0.00 0.00 54.13 54.62 1b9r s LEU 103 Cb -0.05 -3.21 0.28 0.00 0.03 0.00 0.00 46.19 43.25 1b9r s LEU 103 CO 0.29 -0.10 0.72 -2.65 0.23 0.00 0.00 176.35 174.84 1b9r n PRO 104 N 3.53 -3.86 0.00 1.29 -0.02 -1.26 -5.21 135.00 129.47 1b9r n PRO 104 Ca -0.00 -1.19 0.00 0.00 -2.02 0.00 0.00 63.50 60.28 1b9r n PRO 104 Cb 0.51 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 1b9r n PRO 104 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48