#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 2.30 0.29 -0.52 6.06 -1.26 -1.11 118.95 124.70 1b9r s ARG 2 Ca 0.00 -1.45 -0.19 0.00 -2.50 0.00 0.00 55.73 51.59 1b9r s ARG 2 Cb 0.00 -2.15 0.02 0.00 0.06 0.00 0.00 34.95 32.88 1b9r s ARG 2 CO 0.00 0.32 0.69 0.08 -2.50 0.00 0.00 175.30 173.90 1b9r s VAL 3 N -2.35 0.00 -0.26 7.11 1.01 0.87 0.21 120.40 126.99 1b9r s VAL 3 Ca 0.32 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1b9r s VAL 3 Cb -0.06 -2.14 0.15 0.00 0.00 0.00 0.00 36.38 34.34 1b9r s VAL 3 CO 0.20 0.00 0.45 -0.69 0.00 0.00 0.00 175.10 175.06 1b9r s VAL 4 N -3.74 -0.72 0.65 2.92 1.01 0.11 0.12 120.40 120.75 1b9r s VAL 4 Ca 0.13 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1b9r s VAL 4 Cb -0.05 -0.86 0.10 0.00 0.00 0.00 0.00 36.38 35.57 1b9r s VAL 4 CO 0.08 -0.08 0.90 -0.36 0.00 0.00 0.00 175.10 175.64 1b9r s PHE 5 N 2.64 1.64 0.22 5.22 0.40 -0.16 0.44 117.98 128.39 1b9r s PHE 5 Ca 0.14 -0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 55.92 1b9r s PHE 5 Cb -0.15 -2.71 0.01 0.00 0.51 0.00 0.00 43.02 40.68 1b9r s PHE 5 CO -0.17 -1.44 0.49 0.42 0.70 0.00 0.00 175.22 175.22 1b9r s ILE 6 N -2.94 0.02 0.03 0.64 -1.09 -1.11 0.21 121.20 116.96 1b9r s ILE 6 Ca 0.64 -1.16 -0.29 0.00 -2.23 0.00 0.00 60.65 57.62 1b9r s ILE 6 Cb -0.06 -1.92 0.10 0.00 -1.58 0.00 0.00 42.46 38.99 1b9r s ILE 6 CO 0.42 -0.08 1.09 -0.62 -1.23 0.00 0.00 174.94 174.52 1b9r s ASP 7 N -2.95 -0.16 0.06 3.58 2.15 -1.26 -2.92 116.67 115.17 1b9r s ASP 7 Ca 0.16 -0.21 0.27 0.00 0.43 0.00 0.00 52.55 53.21 1b9r s ASP 7 Cb -0.01 0.32 0.97 0.00 -0.30 0.00 0.00 42.92 43.90 1b9r s ASP 7 CO 0.04 -0.58 1.78 1.21 -0.17 0.00 0.00 175.17 177.44 1b9r n GLU 8 N -0.40 0.09 -0.01 4.34 0.00 -1.26 0.12 120.64 123.52 1b9r n GLU 8 Ca -0.07 0.06 -0.13 0.00 0.00 0.00 0.00 57.16 57.02 1b9r n GLU 8 Cb 0.61 -1.59 -0.14 0.00 0.00 0.00 0.00 31.44 30.32 1b9r n GLU 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1b9r n GLN 9 N -1.73 0.68 0.00 5.31 1.13 -1.26 -4.58 117.38 116.93 1b9r n GLN 9 Ca 0.06 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 1b9r n GLN 9 Cb 0.37 -1.77 0.00 0.00 0.11 0.00 0.00 30.24 28.95 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 -3.21 4.65 -0.23 1.08 2.88 -1.24 -5.02 113.62 112.53 1b9r n SER 10 Ca -0.22 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.29 1b9r n SER 10 Cb 1.05 0.68 -0.01 0.00 -0.75 0.00 0.00 64.21 65.17 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 2.60 0.62 0.00 0.46 0.00 0.33 -4.92 105.19 104.28 1b9r n GLY 11 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.78 0.00 -3.06 1.61 2.13 -1.25 -4.58 120.64 112.71 1b9r n GLU 12 Ca -0.03 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.63 1b9r n GLU 12 Cb 0.12 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.83 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 -0.55 -0.40 -1.57 4.31 4.02 0.57 -4.72 117.16 118.81 1b9r n TYR 13 Ca 0.00 -3.40 -0.45 0.00 -0.01 0.00 0.00 57.90 54.04 1b9r n TYR 13 Cb 0.00 0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.32 1b9r n TYR 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1b9r n ALA 14 N 0.26 -0.54 -3.00 -0.72 0.00 -1.24 -0.99 120.51 114.28 1b9r n ALA 14 Ca 0.20 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1b9r n ALA 14 Cb 0.68 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 0.31 0.00 -3.82 0.00 3.14 0.31 -4.75 118.33 113.52 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 0.31 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.04 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 -0.13 0.18 6.55 1.01 -1.25 0.30 116.67 125.33 1b9r s ASP 16 Ca 0.00 -0.62 0.04 0.00 0.71 0.00 0.00 52.55 52.68 1b9r s ASP 16 Cb 0.00 0.51 -0.02 0.00 1.01 0.00 0.00 42.92 44.42 1b9r s ASP 16 CO 0.00 -0.97 0.15 0.00 0.21 0.00 0.00 175.17 174.56 1b9r n ALA 17 N -0.28 0.40 -3.74 5.23 0.00 -0.27 -4.65 120.51 117.21 1b9r n ALA 17 Ca -0.10 -1.07 -0.22 0.00 0.00 0.00 0.00 53.44 52.06 1b9r n ALA 17 Cb 0.63 0.87 -0.17 0.00 0.00 0.00 0.00 19.45 20.77 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 -2.74 0.53 -0.46 0.00 -0.21 -1.26 0.29 119.66 115.80 1b9r s GLN 18 Ca 0.22 0.10 -0.44 0.00 0.02 0.00 0.00 55.36 55.26 1b9r s GLN 18 Cb 0.01 -0.85 -0.19 0.00 1.00 0.00 0.00 33.01 32.98 1b9r s GLN 18 CO 0.15 -0.26 1.83 -0.25 -2.12 0.00 0.00 175.29 174.65 1b9r n ASP 19 N 4.91 1.26 0.00 5.90 9.92 -1.26 -1.20 116.55 136.08 1b9r n ASP 19 Ca -0.11 0.96 0.00 0.00 -0.53 0.00 0.00 54.79 55.11 1b9r n ASP 19 Cb 0.50 -0.94 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 1b9r n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b9r n GLY 20 N 5.35 1.01 3.34 0.44 0.00 0.21 -4.86 105.19 110.68 1b9r n GLY 20 Ca 0.39 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.23 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 1.32 0.00 1.61 -0.21 -0.34 -4.71 119.66 117.34 1b9r s GLN 21 Ca 0.00 -1.58 0.00 0.00 0.02 0.00 0.00 55.36 53.80 1b9r s GLN 21 Cb 0.00 -1.12 0.00 0.00 1.00 0.00 0.00 33.01 32.89 1b9r s GLN 21 CO 0.00 0.19 0.00 -1.13 -2.12 0.00 0.00 175.29 172.23 1b9r n SER 22 N -0.35 0.26 0.15 5.90 3.41 -1.19 0.23 113.62 122.04 1b9r n SER 22 Ca -0.08 -0.54 0.04 0.00 -0.26 0.00 0.00 58.87 58.02 1b9r n SER 22 Cb 0.60 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.65 1b9r n SER 22 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1b9r h LEU 23 N 0.00 0.00 -0.69 1.04 6.46 -1.67 -3.11 115.31 117.34 1b9r h LEU 23 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1b9r h LEU 23 Cb 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 1b9r h LEU 23 CO 0.00 0.46 0.28 -0.03 -0.62 0.00 0.00 178.44 178.52 1b9r h MET 24 N 0.00 1.04 -0.04 1.25 4.05 -1.87 -0.38 114.93 118.98 1b9r h MET 24 Ca -0.00 -0.19 -0.18 0.00 -0.28 0.00 0.00 59.70 59.05 1b9r h MET 24 Cb 1.27 -0.17 0.01 0.00 -0.80 0.00 0.00 31.60 31.91 1b9r h MET 24 CO 0.06 0.86 -0.67 1.49 0.23 0.00 0.00 176.91 178.88 1b9r h GLU 25 N 0.99 0.52 0.11 0.39 4.81 -1.84 -3.17 114.58 116.37 1b9r h GLU 25 Ca 0.23 -0.51 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1b9r h GLU 25 Cb 0.21 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1b9r h GLU 25 CO -0.02 1.14 -0.45 0.28 -0.73 0.00 0.00 179.01 179.24 1b9r h VAL 26 N 0.08 0.00 0.00 0.32 2.07 -1.45 -2.43 116.25 114.84 1b9r h VAL 26 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1b9r h VAL 26 Cb 1.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1b9r h VAL 26 CO 0.13 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1b9r n ALA 27 N -2.85 0.00 -0.15 1.67 0.00 -0.16 0.33 120.51 119.34 1b9r n ALA 27 Ca -0.07 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.65 1b9r n ALA 27 Cb 0.35 0.21 0.69 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 0.30 0.03 0.00 1.35 -1.50 1.22 112.91 114.31 1b9r h THR 28 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.61 1b9r h THR 28 Cb 0.00 0.41 -0.03 0.00 -1.73 0.00 0.00 68.15 66.80 1b9r h THR 28 CO 0.00 0.00 -1.29 1.56 -0.25 0.00 0.00 175.52 175.54 1b9r h GLN 29 N 0.00 0.07 -0.16 4.72 4.20 0.58 -3.27 115.11 121.26 1b9r h GLN 29 Ca 0.41 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1b9r h GLN 29 Cb 1.98 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.80 1b9r h GLN 29 CO -0.00 0.92 0.00 0.09 -0.67 0.00 0.00 178.83 179.16 1b9r n ASN 30 N -3.31 1.41 -0.00 1.46 3.02 0.40 -4.87 115.26 113.35 1b9r n ASN 30 Ca -0.08 -1.70 -0.00 0.00 -0.03 0.00 0.00 54.58 52.77 1b9r n ASN 30 Cb 0.99 -0.10 -0.00 0.00 -0.61 0.00 0.00 39.78 40.06 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 1.06 0.42 3.70 7.41 0.00 0.11 -4.99 105.19 112.90 1b9r n GLY 31 Ca 0.15 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.83 2.47 -2.00 1.61 1.01 -0.28 -4.90 120.40 116.48 1b9r s VAL 32 Ca 0.00 0.15 0.14 0.00 0.00 0.00 0.00 61.98 62.27 1b9r s VAL 32 Cb 0.00 -2.33 0.39 0.00 0.00 0.00 0.00 36.38 34.44 1b9r s VAL 32 CO 0.00 -0.20 1.37 -2.65 0.00 0.00 0.00 175.10 173.62 1b9r n PRO 33 N -4.02 0.78 -2.10 2.72 -0.02 -1.26 -4.46 135.00 126.64 1b9r n PRO 33 Ca 0.11 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.56 1b9r n PRO 33 Cb 0.52 -1.27 -0.00 0.00 -0.02 0.00 0.00 33.50 32.73 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 0.44 -0.36 4.04 -1.23 0.00 -1.26 -4.47 105.19 102.35 1b9r n GLY 34 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.93 0.00 -3.53 -0.61 -0.00 -1.26 -4.51 119.36 107.52 1b9r n ILE 35 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.66 1b9r n ILE 35 Cb 0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.98 1b9r n ILE 35 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 1b9r s VAL 36 N 0.00 0.00 -0.27 1.39 -7.23 -1.26 -5.14 120.40 107.88 1b9r s VAL 36 Ca 0.00 -0.17 -0.13 0.00 -1.81 0.00 0.00 61.98 59.87 1b9r s VAL 36 Cb 0.00 -1.20 0.10 0.00 0.56 0.00 0.00 36.38 35.84 1b9r s VAL 36 CO 0.00 0.00 0.63 0.00 -0.31 0.00 0.00 175.10 175.42 1b9r s ALA 37 N -3.52 -1.83 -0.12 1.32 0.00 -1.26 -3.89 121.76 112.46 1b9r s ALA 37 Ca 0.04 2.26 0.14 0.00 0.00 0.00 0.00 51.96 54.41 1b9r s ALA 37 Cb -0.02 -1.51 -0.24 0.00 0.00 0.00 0.00 23.12 21.35 1b9r s ALA 37 CO -0.08 -0.60 0.36 -1.91 0.00 0.00 0.00 175.76 173.53 1b9r n GLU 38 N 4.81 0.66 -0.09 0.00 0.00 -1.26 -4.49 120.64 120.27 1b9r n GLU 38 Ca -0.17 0.16 -0.11 0.00 0.00 0.00 0.00 57.16 57.05 1b9r n GLU 38 Cb 0.54 -1.66 -0.12 0.00 0.00 0.00 0.00 31.44 30.20 1b9r n GLU 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1b9r n GLY 40 N 2.11 -0.33 1.46 0.00 0.00 -1.26 -2.82 105.19 104.35 1b9r n GLY 40 Ca -0.31 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.13 0.75 0.02 -0.02 0.00 -1.26 -4.91 105.19 98.64 1b9r n GLY 41 Ca -0.25 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 0.21 -3.20 1.61 2.88 -1.13 -4.96 113.62 109.04 1b9r n SER 42 Ca 0.00 0.08 -0.15 0.00 -1.33 0.00 0.00 58.87 57.47 1b9r n SER 42 Cb 0.00 -0.22 0.07 0.00 -0.75 0.00 0.00 64.21 63.31 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 -3.24 0.00 -4.02 0.00 0.24 -1.26 -5.13 118.33 104.91 1b9r n VAL 44 Ca -0.09 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.20 1b9r n VAL 44 Cb 0.62 0.21 -0.01 0.00 -1.47 0.00 0.00 33.84 33.19 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 -2.85 1.97 1.64 0.00 0.00 -1.26 -4.89 120.51 115.12 1b9r n ALA 46 Ca -0.01 -0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.31 1b9r n ALA 46 Cb 0.04 -0.13 0.75 0.00 0.00 0.00 0.00 19.45 20.11 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 0.00 0.00 -1.43 0.00 -2.24 -1.26 -4.07 114.28 105.27 1b9r n THR 47 Ca 0.00 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 1b9r n THR 47 Cb 0.55 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 1b9r n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b9r s ARG 49 N -1.50 4.26 0.24 0.00 3.52 -1.26 -2.26 118.95 121.95 1b9r s ARG 49 Ca 0.59 1.49 -0.06 0.00 -0.13 0.00 0.00 55.73 57.62 1b9r s ARG 49 Cb 0.37 -3.68 -0.02 0.00 -1.56 0.00 0.00 34.95 30.06 1b9r s ARG 49 CO -0.20 -0.65 0.32 0.42 -0.81 0.00 0.00 175.30 174.38 1b9r s ILE 50 N 3.26 0.00 -0.03 4.11 -1.09 -1.26 -4.76 121.20 121.42 1b9r s ILE 50 Ca 0.49 -1.70 -0.01 0.00 -2.23 0.00 0.00 60.65 57.19 1b9r s ILE 50 Cb -0.18 -2.39 0.03 0.00 -1.58 0.00 0.00 42.46 38.34 1b9r s ILE 50 CO 0.10 0.00 0.03 -1.61 -1.23 0.00 0.00 174.94 172.23 1b9r s GLU 51 N -3.95 0.07 0.50 2.79 2.02 -0.30 -3.16 118.70 116.67 1b9r s GLU 51 Ca 0.31 0.22 -0.21 0.00 0.02 0.00 0.00 54.97 55.31 1b9r s GLU 51 Cb 0.03 -0.44 -0.06 0.00 0.10 0.00 0.00 34.13 33.75 1b9r s GLU 51 CO 0.12 -0.23 1.17 0.42 0.02 0.00 0.00 175.26 176.76 1b9r s ILE 52 N 1.50 3.03 1.01 -1.63 -1.09 0.04 -0.19 121.20 123.86 1b9r s ILE 52 Ca -0.03 0.71 -0.13 0.00 -2.23 0.00 0.00 60.65 58.96 1b9r s ILE 52 Cb -0.13 -3.33 0.10 0.00 -1.58 0.00 0.00 42.46 37.52 1b9r s ILE 52 CO -0.03 -0.07 0.54 -1.84 -1.23 0.00 0.00 174.94 172.32 1b9r n GLU 53 N -0.89 -0.87 0.00 2.79 -0.00 0.67 -4.76 120.64 117.59 1b9r n GLU 53 Ca 0.09 -0.21 0.00 0.00 -0.00 0.00 0.00 57.16 57.04 1b9r n GLU 53 Cb 0.49 -1.97 0.00 0.00 -0.00 0.00 0.00 31.44 29.96 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 -2.42 1.08 -0.02 -1.84 2.03 -1.26 -2.81 116.55 111.31 1b9r n ASP 54 Ca 0.06 -1.92 -0.00 0.00 0.52 0.00 0.00 54.79 53.44 1b9r n ASP 54 Cb 0.55 -0.48 -0.05 0.00 -0.72 0.00 0.00 41.12 40.42 1b9r n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b9r n ALA 55 N 0.05 2.01 0.40 -1.67 0.00 -1.26 -4.68 120.51 115.36 1b9r n ALA 55 Ca 0.00 -0.33 0.07 0.00 0.00 0.00 0.00 53.44 53.18 1b9r n ALA 55 Cb 0.26 -0.03 0.08 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.04 0.11 -0.15 0.00 7.02 -1.12 -4.45 117.44 116.80 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 0.50 -0.00 0.13 0.00 -2.42 0.00 0.00 31.31 29.52 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 2.57 1.25 0.00 -0.99 2.07 -1.82 3.77 116.25 123.09 1b9r h VAL 57 Ca 0.00 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1b9r h VAL 57 Cb 0.60 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1b9r h VAL 57 CO 0.00 0.35 0.00 -0.62 0.02 0.00 0.00 177.57 177.32 1b9r n GLU 58 N -4.23 0.49 -0.12 1.57 -0.58 -1.26 -1.50 120.64 115.01 1b9r n GLU 58 Ca 0.03 0.01 -0.17 0.00 -0.42 0.00 0.00 57.16 56.61 1b9r n GLU 58 Cb 0.28 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.54 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 -1.25 1.34 0.00 -3.67 5.41 0.85 -4.88 119.36 117.17 1b9r n ILE 59 Ca 0.15 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1b9r n ILE 59 Cb 0.22 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 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 -3.22 0.00 -3.06 1.39 0.31 1.21 -4.65 118.33 110.31 1b9r n VAL 60 Ca -0.42 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1b9r n VAL 60 Cb 0.94 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 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 2.76 0.00 0.12 2.92 0.00 -0.56 -4.74 105.19 105.69 1b9r n GLY 61 Ca 0.00 0.00 0.11 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 2.35 0.00 -6.49 1.61 5.08 -1.90 -3.48 114.58 111.75 1b9r h GLU 62 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1b9r h GLU 62 Cb 0.00 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.37 1b9r h GLU 62 CO 0.00 0.01 0.05 0.00 -1.00 0.00 0.00 179.01 178.07 1b9r n ALA 63 N -2.18 -0.35 -2.18 3.43 0.00 -1.26 -5.00 120.51 112.97 1b9r n ALA 63 Ca -0.00 0.32 -0.05 0.00 0.00 0.00 0.00 53.44 53.71 1b9r n ALA 63 Cb 0.56 -1.99 0.03 0.00 0.00 0.00 0.00 19.45 18.04 1b9r n ALA 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1b9r n ASN 64 N 1.07 0.26 0.00 0.00 6.94 -1.26 -4.93 115.26 117.34 1b9r n ASN 64 Ca 0.10 -1.23 0.04 0.00 -0.02 0.00 0.00 54.58 53.47 1b9r n ASN 64 Cb 0.35 -0.15 0.23 0.00 -2.36 0.00 0.00 39.78 37.84 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 -1.43 0.31 -0.11 -0.53 -0.02 -1.26 -2.99 135.00 128.97 1b9r n PRO 65 Ca 0.04 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.31 1b9r n PRO 65 Cb 0.13 -1.39 -0.10 0.00 -0.02 0.00 0.00 33.50 32.12 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 -0.89 1.88 -0.10 2.55 9.92 -1.26 -3.50 116.55 125.15 1b9r n ASP 66 Ca 0.06 0.43 0.08 0.00 -0.53 0.00 0.00 54.79 54.83 1b9r n ASP 66 Cb 0.03 -0.92 0.43 0.00 -0.64 0.00 0.00 41.12 40.02 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 0.55 -0.24 -1.24 4.39 -1.90 0.37 114.58 115.51 1b9r h GLU 67 Ca -0.37 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.14 1b9r h GLU 67 Cb 1.26 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1b9r h GLU 67 CO -0.22 0.36 -0.49 -0.97 -1.16 0.00 0.00 179.01 176.53 1b9r h ASN 68 N 0.57 0.73 0.33 1.42 -0.00 -1.74 -2.58 115.58 114.29 1b9r h ASN 68 Ca 0.26 -0.37 -0.21 0.00 -0.00 0.00 0.00 56.30 55.98 1b9r h ASN 68 Cb 0.30 -0.21 -0.00 0.00 -0.00 0.00 0.00 38.32 38.41 1b9r h ASN 68 CO -0.08 1.10 -0.88 -0.78 -0.00 0.00 0.00 177.43 176.79 1b9r h ASP 69 N 0.53 0.50 -0.18 1.15 1.82 -1.22 -2.20 116.42 116.82 1b9r h ASP 69 Ca 0.02 -0.38 -0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1b9r h ASP 69 Cb 1.05 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 1b9r h ASP 69 CO 0.10 1.17 0.10 0.25 -1.61 0.00 0.00 179.24 179.25 1b9r h LEU 70 N 0.24 0.23 -0.92 2.28 6.46 -0.27 -1.88 115.31 121.45 1b9r h LEU 70 Ca -0.06 -0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.49 1b9r h LEU 70 Cb 1.50 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.35 1b9r h LEU 70 CO 0.15 0.25 -0.50 -0.07 -0.62 0.00 0.00 178.44 177.65 1b9r h LEU 71 N 0.19 0.09 -1.45 2.25 -0.00 -1.52 -2.84 115.31 112.03 1b9r h LEU 71 Ca 0.06 -0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 57.84 1b9r h LEU 71 Cb 0.08 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 1b9r h LEU 71 CO -0.01 0.58 -0.28 1.56 -0.00 0.00 0.00 178.44 180.29 1b9r h GLN 72 N 0.07 0.00 -0.46 1.13 4.20 -1.03 -1.92 115.11 117.10 1b9r h GLN 72 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1b9r h GLN 72 Cb 0.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1b9r h GLN 72 CO 0.07 0.28 0.00 -1.13 -0.67 0.00 0.00 178.83 177.38 1b9r n SER 73 N -4.11 1.37 0.07 1.46 3.41 -0.74 -3.53 113.62 111.56 1b9r n SER 73 Ca -0.02 -2.08 0.05 0.00 -0.26 0.00 0.00 58.87 56.56 1b9r n SER 73 Cb 0.34 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 1b9r n SER 73 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1b9r h THR 74 N 0.96 0.30 0.00 6.66 1.35 -1.43 -3.48 112.91 117.26 1b9r h THR 74 Ca 0.00 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 1b9r h THR 74 Cb 0.47 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1b9r h THR 74 CO 0.04 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 1b9r n GLY 75 N 1.29 0.67 3.02 5.82 0.00 -1.23 -5.07 105.19 109.69 1b9r n GLY 75 Ca -0.05 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.07 0.53 0.29 1.61 2.02 -1.26 -5.13 118.70 114.67 1b9r s GLU 76 Ca 0.00 -0.45 -0.29 0.00 0.02 0.00 0.00 54.97 54.25 1b9r s GLU 76 Cb 0.00 -0.44 -0.10 0.00 0.10 0.00 0.00 34.13 33.69 1b9r s GLU 76 CO 0.00 0.11 1.38 -1.25 0.02 0.00 0.00 175.26 175.52 1b9r s PRO 77 N -0.74 4.30 0.51 0.39 0.04 -1.26 -4.87 135.00 133.37 1b9r s PRO 77 Ca -0.02 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1b9r s PRO 77 Cb -0.05 -3.09 0.10 0.00 0.04 0.00 0.00 34.50 31.49 1b9r s PRO 77 CO 0.00 -0.33 0.69 -1.33 0.04 0.00 0.00 177.00 176.08 1b9r n MET 78 N 1.64 0.15 -4.27 4.56 2.81 -1.26 -5.14 117.12 115.61 1b9r n MET 78 Ca 0.04 -1.94 -0.17 0.00 -1.81 0.00 0.00 57.70 53.82 1b9r n MET 78 Cb 0.41 -0.45 -0.09 0.00 -0.71 0.00 0.00 33.22 32.38 1b9r n MET 78 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1b9r s THR 79 N -2.07 0.07 -0.57 2.03 -4.23 -1.26 -5.11 115.64 104.51 1b9r s THR 79 Ca 0.46 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.71 1b9r s THR 79 Cb -0.03 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.35 1b9r s THR 79 CO 0.31 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.49 1b9r s ALA 80 N -3.70 3.06 0.00 3.99 0.00 -1.26 -3.39 121.76 120.46 1b9r s ALA 80 Ca 0.39 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1b9r s ALA 80 Cb 0.04 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1b9r s ALA 80 CO 0.21 -2.55 0.00 0.41 0.00 0.00 0.00 175.76 173.82 1b9r n GLY 81 N 5.07 1.63 3.56 0.00 0.00 -1.26 -4.82 105.19 109.38 1b9r n GLY 81 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 4.42 -0.02 2.61 2.01 -1.22 -0.78 115.64 120.67 1b9r s THR 82 Ca 0.00 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1b9r s THR 82 Cb 0.00 -4.48 0.02 0.00 0.01 0.00 0.00 72.50 68.05 1b9r s THR 82 CO 0.00 -0.93 0.00 -0.60 -0.69 0.00 0.00 174.62 172.41 1b9r s ARG 83 N 3.87 0.15 0.72 4.92 3.00 -1.19 -5.01 118.95 125.41 1b9r s ARG 83 Ca 0.36 0.07 -0.17 0.00 -1.00 0.00 0.00 55.73 54.99 1b9r s ARG 83 Cb -0.10 -0.31 -0.13 0.00 0.00 0.00 0.00 34.95 34.40 1b9r s ARG 83 CO 0.25 -0.10 -0.28 1.28 0.00 0.00 0.00 175.30 176.45 1b9r n LEU 84 N 3.84 -3.91 -0.01 -0.88 4.77 -1.26 -4.27 117.00 115.28 1b9r n LEU 84 Ca -0.23 0.47 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 1b9r n LEU 84 Cb 0.53 -0.87 -0.13 0.00 -2.33 0.00 0.00 43.42 40.62 1b9r n LEU 84 CO 0.23 -5.02 -0.43 -1.28 -1.33 0.00 0.00 177.39 169.56 1b9r h SER 85 N -0.43 0.00 -0.52 -1.43 0.87 -1.80 -3.32 113.55 106.92 1b9r h SER 85 Ca -0.43 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.01 1b9r h SER 85 Cb 1.38 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.26 1b9r h SER 85 CO 0.35 0.92 0.11 0.00 -0.53 0.00 0.00 176.83 177.68 1b9r n GLN 87 N -0.35 2.76 -3.30 0.00 0.00 -1.26 -4.88 117.38 110.35 1b9r n GLN 87 Ca 0.33 0.00 -0.44 0.00 -0.00 0.00 0.00 57.00 56.89 1b9r n GLN 87 Cb 1.17 -0.73 -0.08 0.00 0.00 0.00 0.00 30.24 30.61 1b9r n GLN 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1b9r s VAL 88 N -1.07 5.08 -0.10 1.69 1.01 -1.25 -4.92 120.40 120.84 1b9r s VAL 88 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1b9r s VAL 88 Cb 0.00 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1b9r s VAL 88 CO 0.00 -0.56 0.03 -0.36 0.00 0.00 0.00 175.10 174.21 1b9r s PHE 89 N 2.12 3.24 0.44 5.22 0.08 -1.26 -3.16 117.98 124.67 1b9r s PHE 89 Ca 0.11 0.25 -0.24 0.00 0.12 0.00 0.00 56.93 57.16 1b9r s PHE 89 Cb -0.19 -1.83 -0.10 0.00 -0.57 0.00 0.00 43.02 40.33 1b9r s PHE 89 CO 0.11 0.50 1.08 -0.89 -0.10 0.00 0.00 175.22 175.93 1b9r n ILE 90 N 2.17 2.61 -3.64 0.64 2.08 0.64 -4.60 119.36 119.25 1b9r n ILE 90 Ca -0.19 -0.50 -0.15 0.00 0.56 0.00 0.00 62.75 62.47 1b9r n ILE 90 Cb 0.54 -1.27 -0.08 0.00 -0.75 0.00 0.00 39.64 38.08 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 -0.73 -0.55 0.50 4.38 1.47 -1.26 0.63 116.67 121.11 1b9r s ASP 91 Ca 0.64 0.85 0.25 0.00 1.18 0.00 0.00 52.55 55.46 1b9r s ASP 91 Cb -0.53 0.84 0.85 0.00 -0.34 0.00 0.00 42.92 43.74 1b9r s ASP 91 CO 0.56 -0.37 1.11 -2.65 0.68 0.00 0.00 175.17 174.51 1b9r n PRO 92 N 1.94 0.01 0.26 2.11 -0.02 -1.26 0.33 135.00 138.37 1b9r n PRO 92 Ca -0.17 0.86 0.17 0.00 -2.02 0.00 0.00 63.50 62.35 1b9r n PRO 92 Cb 0.56 -2.13 0.71 0.00 -0.02 0.00 0.00 33.50 32.63 1b9r n PRO 92 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1b9r h SER 93 N 0.00 0.00 -1.16 2.55 4.64 -1.94 -3.25 113.55 114.38 1b9r h SER 93 Ca 0.46 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 61.35 1b9r h SER 93 Cb 2.56 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 64.24 1b9r h SER 93 CO -0.00 0.00 -1.05 0.23 -0.87 0.00 0.00 176.83 175.13 1b9r n MET 94 N -2.96 1.86 -3.33 4.77 2.81 0.98 -4.73 117.12 116.52 1b9r n MET 94 Ca 0.00 -3.64 -0.38 0.00 -1.81 0.00 0.00 57.70 51.87 1b9r n MET 94 Cb 0.27 -1.56 -0.06 0.00 -0.71 0.00 0.00 33.22 31.16 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 -3.25 6.74 -0.47 7.83 1.11 -1.22 -3.50 116.67 123.90 1b9r s ASP 95 Ca 0.34 0.88 -0.00 0.00 0.18 0.00 0.00 52.55 53.94 1b9r s ASP 95 Cb 0.44 -2.29 0.00 0.00 1.07 0.00 0.00 42.92 42.14 1b9r s ASP 95 CO -0.03 0.06 0.06 0.61 1.18 0.00 0.00 175.17 177.05 1b9r n GLY 96 N 2.96 0.20 3.76 0.21 0.00 0.56 -4.72 105.19 108.17 1b9r n GLY 96 Ca -0.08 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.86 4.42 -0.21 0.99 0.05 0.08 -4.64 118.68 117.51 1b9r s LEU 97 Ca 0.03 2.30 -0.05 0.00 0.05 0.00 0.00 54.13 56.46 1b9r s LEU 97 Cb -0.01 -3.77 -0.02 0.00 -2.05 0.00 0.00 46.19 40.33 1b9r s LEU 97 CO 0.04 -0.33 0.01 -0.63 -0.55 0.00 0.00 176.35 174.89 1b9r s ILE 98 N -1.27 4.01 0.37 1.48 1.09 -1.26 0.04 121.20 125.66 1b9r s ILE 98 Ca 0.49 -0.29 0.08 0.00 -1.10 0.00 0.00 60.65 59.83 1b9r s ILE 98 Cb -0.31 -2.82 -0.05 0.00 -1.06 0.00 0.00 42.46 38.22 1b9r s ILE 98 CO 0.40 0.42 0.12 -0.69 -0.10 0.00 0.00 174.94 175.09 1b9r s VAL 99 N 1.07 2.64 0.05 2.92 1.01 1.52 0.24 120.40 129.86 1b9r s VAL 99 Ca 0.02 -1.77 -0.27 0.00 0.00 0.00 0.00 61.98 59.97 1b9r s VAL 99 Cb -0.14 -2.93 0.08 0.00 0.00 0.00 0.00 36.38 33.39 1b9r s VAL 99 CO 0.02 -0.12 0.73 -0.13 0.00 0.00 0.00 175.10 175.60 1b9r s ARG 100 N -3.83 1.05 -0.11 2.72 0.52 0.73 -2.77 118.95 117.27 1b9r s ARG 100 Ca 0.38 -0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 55.27 1b9r s ARG 100 Cb 0.01 0.49 -0.04 0.00 0.52 0.00 0.00 34.95 35.92 1b9r s ARG 100 CO 0.22 -0.43 0.10 0.08 0.02 0.00 0.00 175.30 175.28 1b9r s VAL 101 N -2.98 5.15 0.08 3.52 1.01 -1.15 -1.15 120.40 124.89 1b9r s VAL 101 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1b9r s VAL 101 Cb -0.01 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.16 1b9r s VAL 101 CO -0.07 0.60 0.05 -0.81 0.00 0.00 0.00 175.10 174.87 1b9r n PRO 102 N 1.98 -1.18 -3.89 2.72 -0.04 -1.26 -4.77 135.00 128.56 1b9r n PRO 102 Ca -0.19 -0.08 -0.35 0.00 -0.04 0.00 0.00 63.50 62.84 1b9r n PRO 102 Cb 0.55 -0.12 -0.10 0.00 -0.04 0.00 0.00 33.50 33.79 1b9r n PRO 102 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1b9r s LEU 103 N 0.00 3.86 -0.29 1.53 2.96 -1.26 -4.80 118.68 120.68 1b9r s LEU 103 Ca 0.03 0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 53.82 1b9r s LEU 103 Cb -0.01 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1b9r s LEU 103 CO 0.03 0.13 0.57 -2.16 -1.32 0.00 0.00 176.35 173.59 1b9r s PRO 104 N 0.65 3.94 0.00 0.98 0.04 -1.26 -5.21 135.00 134.14 1b9r s PRO 104 Ca 0.05 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1b9r s PRO 104 Cb -0.13 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1b9r s PRO 104 CO 0.01 -0.48 0.00 0.00 0.04 0.00 0.00 177.00 176.57