#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 2.01 0.19 -0.52 3.52 -1.26 -1.95 118.95 120.94 1b9r s ARG 2 Ca 0.00 -1.78 -0.23 0.00 -0.13 0.00 0.00 55.73 53.59 1b9r s ARG 2 Cb 0.00 -1.88 0.05 0.00 -1.56 0.00 0.00 34.95 31.56 1b9r s ARG 2 CO 0.00 0.16 0.73 0.08 -0.81 0.00 0.00 175.30 175.46 1b9r s VAL 3 N -2.53 0.00 -0.24 7.11 1.01 0.63 0.25 120.40 126.63 1b9r s VAL 3 Ca 0.34 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1b9r s VAL 3 Cb -0.00 -1.58 0.13 0.00 0.00 0.00 0.00 36.38 34.94 1b9r s VAL 3 CO 0.18 0.00 0.39 -0.69 0.00 0.00 0.00 175.10 174.99 1b9r s VAL 4 N -3.69 -0.63 0.59 2.92 1.01 0.76 0.26 120.40 121.62 1b9r s VAL 4 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1b9r s VAL 4 Cb -0.03 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.59 1b9r s VAL 4 CO -0.02 -0.10 0.83 -0.36 0.00 0.00 0.00 175.10 175.46 1b9r s PHE 5 N 2.57 2.62 0.14 5.22 0.40 0.05 0.36 117.98 129.34 1b9r s PHE 5 Ca 0.12 -0.03 -0.11 0.00 -0.60 0.00 0.00 56.93 56.31 1b9r s PHE 5 Cb -0.15 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1b9r s PHE 5 CO -0.16 -1.07 0.30 0.42 0.70 0.00 0.00 175.22 175.42 1b9r s ILE 6 N -2.87 0.09 0.05 0.64 -1.09 0.37 0.27 121.20 118.66 1b9r s ILE 6 Ca 0.59 -1.13 -0.09 0.00 -2.23 0.00 0.00 60.65 57.79 1b9r s ILE 6 Cb -0.09 -1.56 0.03 0.00 -1.58 0.00 0.00 42.46 39.26 1b9r s ILE 6 CO 0.40 -0.39 0.44 -0.67 -1.23 0.00 0.00 174.94 173.49 1b9r n ASP 7 N -0.18 -0.62 -0.35 3.58 -0.08 -1.26 -1.17 116.55 116.46 1b9r n ASP 7 Ca -0.11 -1.28 0.11 0.00 -1.51 0.00 0.00 54.79 51.99 1b9r n ASP 7 Cb 0.63 1.00 -0.00 0.00 2.34 0.00 0.00 41.12 45.09 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 -0.31 0.88 -0.01 -0.67 2.13 -1.26 -1.45 120.64 119.95 1b9r n GLU 8 Ca -0.00 -0.71 -0.12 0.00 0.66 0.00 0.00 57.16 56.99 1b9r n GLU 8 Cb 0.23 -1.49 -0.14 0.00 0.27 0.00 0.00 31.44 30.31 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 1.74 0.07 0.00 5.31 4.20 -1.95 -3.40 115.11 121.08 1b9r h GLN 9 Ca 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1b9r h GLN 9 Cb 0.68 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1b9r h GLN 9 CO 0.00 0.70 0.00 0.45 -0.67 0.00 0.00 178.83 179.31 1b9r n SER 10 N -3.17 0.44 -1.15 1.46 2.88 -1.26 -5.00 113.62 107.82 1b9r n SER 10 Ca -0.19 -1.05 -0.12 0.00 -1.33 0.00 0.00 58.87 56.18 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 -0.03 1.10 0.00 0.46 0.00 -0.53 -4.78 105.19 101.41 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 -1.45 0.00 -3.03 1.61 2.13 -1.26 -4.58 120.64 114.06 1b9r n GLU 12 Ca -0.12 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.56 1b9r n GLU 12 Cb 0.44 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.16 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 -0.60 -0.76 -1.55 4.31 4.02 0.76 -4.72 117.16 118.63 1b9r n TYR 13 Ca 0.00 -3.25 -0.43 0.00 -0.01 0.00 0.00 57.90 54.21 1b9r n TYR 13 Cb 0.00 0.24 -0.00 0.00 -0.02 0.00 0.00 39.34 39.56 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 0.28 -0.60 -3.00 -0.72 0.00 -1.24 -0.77 120.51 114.46 1b9r n ALA 14 Ca 0.18 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1b9r n ALA 14 Cb 0.68 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.34 0.00 -3.58 0.00 3.14 0.73 -4.75 118.33 113.54 1b9r n VAL 15 Ca 0.11 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.38 1b9r n VAL 15 Cb 0.36 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.12 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 -0.45 0.19 6.55 1.11 -1.24 0.23 116.67 125.05 1b9r s ASP 16 Ca 0.00 -0.21 0.02 0.00 0.18 0.00 0.00 52.55 52.54 1b9r s ASP 16 Cb 0.00 0.63 -0.01 0.00 1.07 0.00 0.00 42.92 44.62 1b9r s ASP 16 CO 0.00 -1.08 0.20 0.00 1.18 0.00 0.00 175.17 175.46 1b9r n ALA 17 N -0.40 0.18 -3.74 5.23 0.00 -0.82 -4.68 120.51 116.27 1b9r n ALA 17 Ca -0.12 -1.02 -0.16 0.00 0.00 0.00 0.00 53.44 52.14 1b9r n ALA 17 Cb 0.63 0.82 -0.16 0.00 0.00 0.00 0.00 19.45 20.74 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 -2.64 -0.04 -0.39 0.00 -0.21 -1.26 0.29 119.66 115.41 1b9r s GLN 18 Ca 0.20 0.26 -0.35 0.00 0.02 0.00 0.00 55.36 55.49 1b9r s GLN 18 Cb 0.00 -0.30 -0.15 0.00 1.00 0.00 0.00 33.01 33.56 1b9r s GLN 18 CO 0.14 -0.21 1.59 -0.25 -2.12 0.00 0.00 175.29 174.44 1b9r n ASP 19 N 4.46 0.66 0.00 5.90 8.00 -1.26 -1.34 116.55 132.97 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 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 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 5.30 1.03 3.26 0.44 0.00 -0.06 -4.85 105.19 110.32 1b9r n GLY 20 Ca 0.39 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.16 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 1.28 0.39 1.61 -0.21 -0.45 -4.72 119.66 117.56 1b9r s GLN 21 Ca 0.00 -1.00 0.02 0.00 0.02 0.00 0.00 55.36 54.40 1b9r s GLN 21 Cb 0.00 -1.44 0.07 0.00 1.00 0.00 0.00 33.01 32.65 1b9r s GLN 21 CO 0.00 0.36 0.54 -1.13 -2.12 0.00 0.00 175.29 172.94 1b9r n SER 22 N 1.61 0.94 -0.94 5.90 3.41 -1.21 0.26 113.62 123.59 1b9r n SER 22 Ca -0.18 -1.74 0.04 0.00 -0.26 0.00 0.00 58.87 56.72 1b9r n SER 22 Cb 0.53 -0.33 0.17 0.00 -0.26 0.00 0.00 64.21 64.32 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 2.64 -0.06 1.04 7.99 -1.21 -3.23 117.00 124.17 1b9r n LEU 23 Ca 0.10 -1.33 -0.05 0.00 -0.01 0.00 0.00 56.01 54.71 1b9r n LEU 23 Cb 0.35 -0.46 -0.12 0.00 -0.11 0.00 0.00 43.42 43.07 1b9r n LEU 23 CO 0.23 0.43 -0.95 1.15 -1.51 0.00 0.00 177.39 176.73 1b9r n MET 24 N 0.35 1.28 -0.01 3.23 0.00 -1.26 -4.33 117.12 116.37 1b9r n MET 24 Ca 0.12 -0.03 -0.22 0.00 0.00 0.00 0.00 57.70 57.57 1b9r n MET 24 Cb 0.54 -1.40 -0.13 0.00 0.00 0.00 0.00 33.22 32.22 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 -2.49 0.73 0.03 3.17 1.02 -1.21 -4.08 120.64 117.81 1b9r n GLU 25 Ca -0.21 0.31 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 1b9r n GLU 25 Cb 0.90 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 30.54 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 -0.11 0.10 0.00 2.62 2.07 -1.80 -2.43 116.25 116.70 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 1.91 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1b9r h VAL 26 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1b9r n ALA 27 N -2.93 0.00 -0.20 1.67 0.00 -1.26 0.36 120.51 118.15 1b9r n ALA 27 Ca -0.05 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.69 1b9r n ALA 27 Cb 0.38 0.15 0.71 0.00 0.00 0.00 0.00 19.45 20.68 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 0.34 0.04 0.00 1.35 -1.66 1.78 112.91 114.76 1b9r h THR 28 Ca 0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.62 1b9r h THR 28 Cb 0.00 0.41 -0.02 0.00 -1.73 0.00 0.00 68.15 66.81 1b9r h THR 28 CO 0.00 0.00 -1.14 1.56 -0.25 0.00 0.00 175.52 175.69 1b9r h GLN 29 N 0.00 0.09 -0.19 4.72 1.08 0.68 -3.19 115.11 118.30 1b9r h GLN 29 Ca 0.46 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1b9r h GLN 29 Cb 2.05 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.53 1b9r h GLN 29 CO -0.00 1.03 0.00 0.09 -0.95 0.00 0.00 178.83 179.00 1b9r n ASN 30 N -3.38 1.52 -0.04 1.46 3.02 0.57 -4.87 115.26 113.54 1b9r n ASN 30 Ca -0.04 -1.76 -0.00 0.00 -0.03 0.00 0.00 54.58 52.74 1b9r n ASN 30 Cb 0.98 -0.12 -0.00 0.00 -0.61 0.00 0.00 39.78 40.02 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 1.07 0.43 3.77 7.41 0.00 0.74 -4.97 105.19 113.63 1b9r n GLY 31 Ca 0.14 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1b9r n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b9r s VAL 32 N -1.84 2.59 0.30 1.61 1.01 0.27 -4.83 120.40 119.51 1b9r s VAL 32 Ca 0.00 0.51 0.27 0.00 0.00 0.00 0.00 61.98 62.76 1b9r s VAL 32 Cb 0.00 -3.29 0.39 0.00 0.00 0.00 0.00 36.38 33.48 1b9r s VAL 32 CO 0.00 0.06 0.87 -2.65 0.00 0.00 0.00 175.10 173.39 1b9r n PRO 33 N -0.05 -0.00 -3.21 2.72 -0.01 -1.26 -4.19 135.00 128.99 1b9r n PRO 33 Ca 0.05 0.62 -0.14 0.00 -0.01 0.00 0.00 63.50 64.02 1b9r n PRO 33 Cb 0.44 -1.40 0.08 0.00 -0.01 0.00 0.00 33.50 32.61 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 -1.48 -0.31 2.38 -1.23 0.00 -1.26 -4.89 105.19 98.40 1b9r n GLY 34 Ca 0.25 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.62 3.82 -1.70 -0.61 5.41 -1.26 -4.30 119.36 117.10 1b9r n ILE 35 Ca -0.23 -3.00 0.06 0.00 1.00 0.00 0.00 62.75 60.58 1b9r n ILE 35 Cb 0.64 -1.87 0.16 0.00 -0.71 0.00 0.00 39.64 37.85 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 1.62 1.67 -1.48 1.39 3.14 -1.26 -4.06 118.33 119.34 1b9r n VAL 36 Ca 0.54 -2.56 0.14 0.00 -2.96 0.00 0.00 64.34 59.50 1b9r n VAL 36 Cb 0.52 0.01 -0.03 0.00 -1.06 0.00 0.00 33.84 33.28 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 -0.83 -2.97 0.04 1.55 0.00 -1.26 -4.12 120.51 112.92 1b9r n ALA 37 Ca 0.15 0.31 0.10 0.00 0.00 0.00 0.00 53.44 54.01 1b9r n ALA 37 Cb 0.76 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 1b9r n ALA 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1b9r n GLU 38 N -3.21 0.64 0.12 0.00 4.07 -1.26 -4.18 120.64 116.81 1b9r n GLU 38 Ca 0.01 -0.04 0.16 0.00 -0.06 0.00 0.00 57.16 57.23 1b9r n GLU 38 Cb 0.45 -1.66 0.71 0.00 -0.06 0.00 0.00 31.44 30.89 1b9r n GLU 38 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1b9r n GLY 40 N -1.56 -0.76 0.64 0.00 0.00 -1.26 0.01 105.19 102.26 1b9r n GLY 40 Ca 0.05 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.70 0.77 0.09 -0.02 0.00 -1.26 -4.90 105.19 98.17 1b9r n GLY 41 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1b9r n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1b9r n SER 42 N 0.00 0.34 -0.83 1.61 2.88 0.10 -4.79 113.62 112.93 1b9r n SER 42 Ca 0.00 0.65 -0.11 0.00 -1.33 0.00 0.00 58.87 58.08 1b9r n SER 42 Cb 0.00 -0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 62.72 1b9r n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b9r n VAL 44 N -2.25 0.00 -4.24 0.00 0.24 -1.26 -4.95 118.33 105.87 1b9r n VAL 44 Ca -0.11 -0.37 -0.13 0.00 -2.04 0.00 0.00 64.34 61.69 1b9r n VAL 44 Cb 0.57 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.91 1b9r n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b9r n ALA 46 N -1.91 2.40 0.12 0.00 0.00 -1.26 -4.91 120.51 114.96 1b9r n ALA 46 Ca -0.08 -0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.13 1b9r n ALA 46 Cb 0.33 -0.14 0.25 0.00 0.00 0.00 0.00 19.45 19.90 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 0.01 1.01 -1.47 0.00 -1.04 -1.26 -4.44 114.28 107.09 1b9r n THR 47 Ca -0.06 -0.79 -0.28 0.00 -2.04 0.00 0.00 64.05 60.87 1b9r n THR 47 Cb 0.58 0.22 -0.02 0.00 -1.82 0.00 0.00 70.33 69.29 1b9r n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b9r s ARG 49 N -2.27 3.04 0.13 0.00 1.81 -1.26 -4.11 118.95 116.28 1b9r s ARG 49 Ca 0.54 -0.67 0.09 0.00 -1.72 0.00 0.00 55.73 53.97 1b9r s ARG 49 Cb 0.38 -5.19 -0.04 0.00 -0.45 0.00 0.00 34.95 29.65 1b9r s ARG 49 CO -0.21 -2.83 -0.17 0.42 -0.68 0.00 0.00 175.30 171.83 1b9r s ILE 50 N 7.70 2.91 -0.14 1.52 1.01 -1.26 -4.89 121.20 128.05 1b9r s ILE 50 Ca 0.59 -1.52 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1b9r s ILE 50 Cb -0.04 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.10 1b9r s ILE 50 CO -0.05 0.07 -0.14 -1.61 0.00 0.00 0.00 174.94 173.21 1b9r s GLU 51 N -2.24 2.26 0.46 2.79 2.02 0.60 -3.31 118.70 121.27 1b9r s GLU 51 Ca 0.19 -0.55 -0.23 0.00 0.02 0.00 0.00 54.97 54.40 1b9r s GLU 51 Cb -0.10 -2.04 -0.07 0.00 0.10 0.00 0.00 34.13 32.02 1b9r s GLU 51 CO 0.11 -0.19 1.21 0.42 0.02 0.00 0.00 175.26 176.83 1b9r s ILE 52 N 1.36 2.91 0.96 -1.63 -1.09 -1.23 0.21 121.20 122.69 1b9r s ILE 52 Ca 0.02 0.70 -0.12 0.00 -2.23 0.00 0.00 60.65 59.02 1b9r s ILE 52 Cb -0.13 -3.37 0.07 0.00 -1.58 0.00 0.00 42.46 37.45 1b9r s ILE 52 CO -0.08 0.01 0.56 -1.84 -1.23 0.00 0.00 174.94 172.36 1b9r n GLU 53 N -0.44 -0.47 0.00 2.79 -0.00 0.15 -4.69 120.64 117.97 1b9r n GLU 53 Ca 0.07 -0.09 0.00 0.00 -0.00 0.00 0.00 57.16 57.14 1b9r n GLU 53 Cb 0.47 -1.97 0.00 0.00 -0.00 0.00 0.00 31.44 29.94 1b9r n GLU 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1b9r n ASP 54 N -2.09 0.92 -0.02 -1.84 8.00 -1.26 -2.63 116.55 117.63 1b9r n ASP 54 Ca 0.07 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.83 1b9r n ASP 54 Cb 0.54 -0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 1b9r n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b9r n ALA 55 N 0.08 2.07 0.40 2.24 0.00 -1.26 -4.67 120.51 119.37 1b9r n ALA 55 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 53.44 53.18 1b9r n ALA 55 Cb 0.22 -0.10 0.06 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.99 0.06 -0.15 0.00 7.02 -1.08 -4.47 117.44 116.82 1b9r n TRP 56 Ca -0.06 -0.06 -0.04 0.00 -1.02 0.00 0.00 57.50 56.32 1b9r n TRP 56 Cb 0.44 -0.00 0.17 0.00 -2.42 0.00 0.00 31.31 29.50 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 2.28 1.23 0.00 -0.99 2.07 -1.82 4.36 116.25 123.38 1b9r h VAL 57 Ca 0.00 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1b9r h VAL 57 Cb 0.52 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1b9r h VAL 57 CO 0.00 0.32 0.00 -0.62 0.02 0.00 0.00 177.57 177.29 1b9r n GLU 58 N -4.26 0.37 -0.11 1.57 -0.58 -1.26 -1.83 120.64 114.54 1b9r n GLU 58 Ca 0.04 0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.65 1b9r n GLU 58 Cb 0.24 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.50 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 -1.31 1.26 0.00 -3.67 5.41 0.11 -4.89 119.36 116.27 1b9r n ILE 59 Ca 0.13 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.35 1b9r n ILE 59 Cb 0.24 -1.14 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 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 -3.05 0.00 -2.19 1.39 0.31 1.40 -4.60 118.33 111.58 1b9r n VAL 60 Ca -0.37 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1b9r n VAL 60 Cb 0.95 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 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 2.97 0.00 0.10 2.92 0.00 -0.76 -4.66 105.19 105.75 1b9r n GLY 61 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.86 0.55 -1.50 1.61 -0.58 -1.26 -4.95 120.64 113.64 1b9r n GLU 62 Ca 0.00 0.09 -0.41 0.00 -0.42 0.00 0.00 57.16 56.42 1b9r n GLU 62 Cb 0.00 -1.78 0.01 0.00 -0.57 0.00 0.00 31.44 29.10 1b9r n GLU 62 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b9r n ALA 63 N -2.12 -0.95 -1.88 0.62 0.00 -1.26 -4.96 120.51 109.97 1b9r n ALA 63 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 1b9r n ALA 63 Cb 0.53 -1.88 0.17 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.92 3.34 0.00 0.00 2.20 -1.26 -4.90 114.94 113.39 1b9r s ASN 64 Ca 0.64 0.42 0.00 0.00 -0.94 0.00 0.00 52.86 52.98 1b9r s ASN 64 Cb -0.57 -0.59 0.00 0.00 -2.00 0.00 0.00 41.25 38.09 1b9r s ASN 64 CO 0.57 -2.61 0.59 -2.65 -2.94 0.00 0.00 177.10 170.07 1b9r n PRO 65 N -3.71 0.63 -0.11 3.55 -0.02 -1.26 -3.21 135.00 130.87 1b9r n PRO 65 Ca 0.13 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.41 1b9r n PRO 65 Cb 0.60 -1.03 -0.10 0.00 -0.02 0.00 0.00 33.50 32.95 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 -0.43 1.87 0.23 2.55 9.92 -1.26 -2.93 116.55 126.51 1b9r n ASP 66 Ca 0.00 0.43 0.07 0.00 -0.53 0.00 0.00 54.79 54.76 1b9r n ASP 66 Cb 0.02 -0.92 0.54 0.00 -0.64 0.00 0.00 41.12 40.12 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 0.01 -1.24 4.39 -1.93 0.40 114.58 115.22 1b9r h GLU 67 Ca -0.36 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.10 1b9r h GLU 67 Cb 1.25 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 1b9r h GLU 67 CO -0.22 0.20 -1.22 -0.97 -1.16 0.00 0.00 179.01 175.65 1b9r h ASN 68 N 0.00 0.03 0.04 1.42 -0.00 -1.74 -3.24 115.58 112.08 1b9r h ASN 68 Ca -0.00 -0.03 -0.11 0.00 -0.00 0.00 0.00 56.30 56.16 1b9r h ASN 68 Cb 0.40 -0.01 -0.00 0.00 -0.00 0.00 0.00 38.32 38.71 1b9r h ASN 68 CO 0.03 1.03 -0.54 0.44 -0.00 0.00 0.00 177.43 178.38 1b9r h ASP 69 N 0.00 0.12 -0.95 1.15 5.19 -1.31 -2.35 116.42 118.28 1b9r h ASP 69 Ca -0.10 -0.88 0.22 0.00 -0.62 0.00 0.00 57.03 55.66 1b9r h ASP 69 Cb 1.85 -0.04 -0.07 0.00 0.18 0.00 0.00 39.33 41.25 1b9r h ASP 69 CO 0.12 1.23 0.62 0.25 -3.12 0.00 0.00 179.24 178.34 1b9r h LEU 70 N -0.82 0.43 0.09 1.55 7.12 -0.37 0.29 115.31 123.60 1b9r h LEU 70 Ca -0.13 0.05 -0.12 0.00 0.13 0.00 0.00 57.88 57.81 1b9r h LEU 70 Cb 1.25 -0.02 0.01 0.00 -0.53 0.00 0.00 40.66 41.37 1b9r h LEU 70 CO -0.01 0.15 -0.56 0.25 -0.13 0.00 0.00 178.44 178.14 1b9r h LEU 71 N 0.42 0.30 -2.01 2.25 5.85 -1.66 -3.28 115.31 117.18 1b9r h LEU 71 Ca 0.50 -0.96 0.16 0.00 0.84 0.00 0.00 57.88 58.42 1b9r h LEU 71 Cb 1.25 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1b9r h LEU 71 CO -0.21 1.26 0.43 1.56 -0.34 0.00 0.00 178.44 181.15 1b9r h GLN 72 N -0.60 0.00 -0.01 1.25 7.50 -0.65 0.37 115.11 122.97 1b9r h GLN 72 Ca -0.10 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.05 1b9r h GLN 72 Cb 1.42 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.95 1b9r h GLN 72 CO 0.09 0.00 0.07 1.03 -1.50 0.00 0.00 178.83 178.52 1b9r h SER 73 N 0.00 0.00 0.57 1.46 0.87 -1.05 -0.40 113.55 115.00 1b9r h SER 73 Ca 0.26 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.53 1b9r h SER 73 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1b9r h SER 73 CO -0.00 0.00 -1.33 0.71 -0.53 0.00 0.00 176.83 175.68 1b9r h THR 74 N 0.00 1.40 -0.47 2.23 1.35 -0.43 -3.48 112.91 113.51 1b9r h THR 74 Ca 0.01 -2.98 0.00 0.00 -0.55 0.00 0.00 66.41 62.89 1b9r h THR 74 Cb 0.14 2.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1b9r h THR 74 CO -0.00 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 1b9r n GLY 75 N 1.58 0.87 3.93 5.82 0.00 -0.16 -5.08 105.19 112.15 1b9r n GLY 75 Ca -0.11 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.69 3.52 0.82 1.61 0.41 -1.26 -5.07 118.70 115.03 1b9r s GLU 76 Ca 0.00 -0.30 -0.13 0.00 -0.41 0.00 0.00 54.97 54.13 1b9r s GLU 76 Cb 0.00 -2.71 0.07 0.00 -1.78 0.00 0.00 34.13 29.71 1b9r s GLU 76 CO 0.00 0.23 1.04 -0.35 -0.49 0.00 0.00 175.26 175.69 1b9r n PRO 77 N -1.37 0.11 -4.21 0.39 -0.04 -1.26 -4.99 135.00 123.63 1b9r n PRO 77 Ca -0.04 0.11 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1b9r n PRO 77 Cb 0.55 -2.30 -0.10 0.00 -0.04 0.00 0.00 33.50 31.61 1b9r n PRO 77 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1b9r s MET 78 N -3.93 1.07 0.00 0.54 -1.94 -1.26 -5.15 119.30 108.62 1b9r s MET 78 Ca 0.70 -1.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.16 1b9r s MET 78 Cb -0.29 -0.04 0.00 0.00 2.01 0.00 0.00 34.83 36.51 1b9r s MET 78 CO 0.54 -0.21 0.00 0.25 -0.01 0.00 0.00 175.02 175.59 1b9r n THR 79 N -0.20 0.00 -3.21 2.05 -2.24 -1.26 -5.10 114.28 104.32 1b9r n THR 79 Ca -0.05 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 1b9r n THR 79 Cb 0.64 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.76 3.49 0.00 6.98 0.00 -1.26 -3.92 121.76 125.29 1b9r s ALA 80 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1b9r s ALA 80 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1b9r s ALA 80 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1b9r n GLY 81 N 3.52 2.76 3.70 0.00 0.00 -1.26 -4.89 105.19 109.02 1b9r n GLY 81 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1b9r n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b9r n THR 82 N -2.00 0.18 -3.80 2.61 -1.04 -1.25 -3.49 114.28 105.49 1b9r n THR 82 Ca 0.00 -0.03 -0.03 0.00 -2.04 0.00 0.00 64.05 61.94 1b9r n THR 82 Cb 0.00 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 66.50 1b9r n THR 82 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1b9r s ARG 83 N 1.94 1.28 -0.50 -2.82 3.52 -1.21 -4.91 118.95 116.25 1b9r s ARG 83 Ca 0.79 -0.77 -0.28 0.00 -0.13 0.00 0.00 55.73 55.34 1b9r s ARG 83 Cb -0.51 0.40 0.01 0.00 -1.56 0.00 0.00 34.95 33.29 1b9r s ARG 83 CO 0.35 -0.60 1.46 -1.17 -0.81 0.00 0.00 175.30 174.54 1b9r s LEU 84 N -3.13 3.47 0.33 -0.88 2.96 -1.26 -4.11 118.68 116.06 1b9r s LEU 84 Ca 0.16 0.54 0.10 0.00 -0.22 0.00 0.00 54.13 54.71 1b9r s LEU 84 Cb -0.02 -3.23 0.57 0.00 0.50 0.00 0.00 46.19 44.01 1b9r s LEU 84 CO 0.04 -1.65 1.76 -1.28 -1.32 0.00 0.00 176.35 173.90 1b9r h SER 85 N 11.26 0.12 -0.31 3.68 0.87 -1.83 -2.93 113.55 124.41 1b9r h SER 85 Ca -0.27 -0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.07 1b9r h SER 85 Cb 1.10 -0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 62.93 1b9r h SER 85 CO 1.14 0.51 0.21 0.00 -0.53 0.00 0.00 176.83 178.17 1b9r n GLN 87 N 0.04 3.14 -4.24 0.00 -0.06 -1.11 -4.39 117.38 110.76 1b9r n GLN 87 Ca 0.19 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.85 1b9r n GLN 87 Cb 0.85 -0.71 -0.12 0.00 -4.06 0.00 0.00 30.24 26.20 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 -0.95 4.15 -0.13 1.69 1.01 -1.24 -4.78 120.40 120.15 1b9r s VAL 88 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1b9r s VAL 88 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1b9r s VAL 88 CO 0.00 0.47 -0.07 -0.36 0.00 0.00 0.00 175.10 175.15 1b9r s PHE 89 N 0.47 2.95 0.86 5.22 0.08 -1.26 -3.35 117.98 122.96 1b9r s PHE 89 Ca -0.01 -0.28 -0.16 0.00 0.12 0.00 0.00 56.93 56.60 1b9r s PHE 89 Cb -0.14 -1.87 -0.13 0.00 -0.57 0.00 0.00 43.02 40.31 1b9r s PHE 89 CO 0.02 0.03 -0.77 -0.89 -0.10 0.00 0.00 175.22 173.51 1b9r n ILE 90 N 3.17 0.00 -3.56 0.64 2.08 0.75 -4.34 119.36 118.09 1b9r n ILE 90 Ca -0.18 -0.38 0.03 0.00 0.56 0.00 0.00 62.75 62.79 1b9r n ILE 90 Cb 0.53 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 39.41 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 -0.86 -0.00 0.00 4.38 1.47 -1.26 -0.88 116.67 119.52 1b9r s ASP 91 Ca 0.34 -0.01 -0.01 0.00 1.18 0.00 0.00 52.55 54.05 1b9r s ASP 91 Cb -0.13 0.01 -0.04 0.00 -0.34 0.00 0.00 42.92 42.43 1b9r s ASP 91 CO 0.70 -0.02 0.96 -2.65 0.68 0.00 0.00 175.17 174.84 1b9r n PRO 92 N -0.46 0.41 0.00 2.11 -0.02 -1.26 -1.18 135.00 134.61 1b9r n PRO 92 Ca -0.09 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1b9r n PRO 92 Cb 0.63 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 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 2.40 0.00 -2.35 2.55 3.41 -1.26 -4.88 113.62 113.49 1b9r n SER 93 Ca 0.06 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.39 1b9r n SER 93 Cb 0.19 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.16 3.33 -3.21 4.33 2.81 -0.32 -4.79 117.12 118.10 1b9r n MET 94 Ca 0.00 -4.13 -0.39 0.00 -1.81 0.00 0.00 57.70 51.37 1b9r n MET 94 Cb 0.00 -2.27 -0.06 0.00 -0.71 0.00 0.00 33.22 30.18 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 -3.07 6.71 -0.68 7.83 1.01 -1.23 -3.32 116.67 123.91 1b9r s ASP 95 Ca 0.51 0.85 0.00 0.00 0.71 0.00 0.00 52.55 54.62 1b9r s ASP 95 Cb 0.42 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 42.03 1b9r s ASP 95 CO -0.11 -0.12 0.00 0.61 0.21 0.00 0.00 175.17 175.76 1b9r n GLY 96 N 3.49 0.43 3.81 0.21 0.00 0.69 -4.72 105.19 109.10 1b9r n GLY 96 Ca -0.04 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.90 3.64 -0.09 0.99 -0.00 -0.75 -4.62 118.68 115.96 1b9r s LEU 97 Ca 0.00 1.76 0.01 0.00 -0.00 0.00 0.00 54.13 55.90 1b9r s LEU 97 Cb 0.00 -4.53 -0.02 0.00 -0.00 0.00 0.00 46.19 41.63 1b9r s LEU 97 CO 0.00 -0.86 -0.10 -0.63 -0.00 0.00 0.00 176.35 174.76 1b9r s ILE 98 N -2.38 3.37 0.15 1.48 1.09 -1.26 -0.17 121.20 123.48 1b9r s ILE 98 Ca 0.63 -0.58 0.11 0.00 -1.10 0.00 0.00 60.65 59.70 1b9r s ILE 98 Cb -0.14 -2.38 -0.04 0.00 -1.06 0.00 0.00 42.46 38.84 1b9r s ILE 98 CO 0.30 0.57 -0.26 -0.69 -0.10 0.00 0.00 174.94 174.76 1b9r s VAL 99 N -0.38 2.27 0.07 2.92 1.01 1.11 0.32 120.40 127.71 1b9r s VAL 99 Ca 0.05 -1.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.09 1b9r s VAL 99 Cb -0.12 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 1b9r s VAL 99 CO 0.02 0.01 0.19 -0.13 0.00 0.00 0.00 175.10 175.19 1b9r s ARG 100 N -2.27 0.78 -0.41 2.72 0.52 0.55 0.14 118.95 120.98 1b9r s ARG 100 Ca 0.16 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1b9r s ARG 100 Cb -0.09 0.32 0.12 0.00 0.52 0.00 0.00 34.95 35.82 1b9r s ARG 100 CO 0.07 -0.24 0.17 0.08 0.02 0.00 0.00 175.30 175.41 1b9r s VAL 101 N -3.36 1.69 0.27 3.52 1.01 -0.31 -0.29 120.40 122.92 1b9r s VAL 101 Ca 0.01 -2.40 -0.02 0.00 0.00 0.00 0.00 61.98 59.57 1b9r s VAL 101 Cb 0.03 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.23 1b9r s VAL 101 CO -0.08 -0.77 0.06 -2.65 0.00 0.00 0.00 175.10 171.66 1b9r n PRO 102 N 3.89 1.05 -3.46 2.72 -0.02 -1.26 -4.07 135.00 133.85 1b9r n PRO 102 Ca 0.05 -0.11 -0.12 0.00 -2.02 0.00 0.00 63.50 61.30 1b9r n PRO 102 Cb 0.37 -0.45 -0.02 0.00 -0.02 0.00 0.00 33.50 33.37 1b9r n PRO 102 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1b9r s LEU 103 N 0.00 -0.39 -0.82 2.45 -0.00 -1.26 -4.68 118.68 113.99 1b9r s LEU 103 Ca 0.05 -0.07 -0.11 0.00 -0.00 0.00 0.00 54.13 54.00 1b9r s LEU 103 Cb -0.01 2.46 -0.25 0.00 -0.00 0.00 0.00 46.19 48.39 1b9r s LEU 103 CO 0.04 -0.95 2.02 -0.81 -0.00 0.00 0.00 176.35 176.65 1b9r n PRO 104 N -0.35 0.09 0.00 1.48 -0.04 -1.26 -5.21 135.00 129.71 1b9r n PRO 104 Ca -0.17 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1b9r n PRO 104 Cb 0.65 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1b9r n PRO 104 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46