#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r29 s GLN 8 N 0.00 3.42 0.08 -1.46 -0.21 -1.26 -5.00 119.66 115.24 1r29 s GLN 8 Ca 0.00 0.94 -0.30 0.00 0.02 0.00 0.00 55.36 56.01 1r29 s GLN 8 Cb 0.00 -2.06 -0.06 0.00 1.00 0.00 0.00 33.01 31.90 1r29 s GLN 8 CO 0.00 -0.71 1.10 0.42 -2.12 0.00 0.00 175.29 173.97 1r29 s ILE 9 N -2.89 4.23 -0.24 1.08 1.01 -1.26 -5.01 121.20 118.11 1r29 s ILE 9 Ca 0.58 1.70 -0.10 0.00 0.00 0.00 0.00 60.65 62.84 1r29 s ILE 9 Cb -0.13 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1r29 s ILE 9 CO 0.47 0.19 0.14 -1.10 0.00 0.00 0.00 174.94 174.64 1r29 s GLN 10 N 0.54 4.00 -0.53 2.79 -0.21 -1.26 -5.05 119.66 119.94 1r29 s GLN 10 Ca 0.53 -0.31 -0.17 0.00 0.02 0.00 0.00 55.36 55.43 1r29 s GLN 10 Cb -0.27 -3.49 0.09 0.00 1.00 0.00 0.00 33.01 30.34 1r29 s GLN 10 CO 0.31 0.03 0.56 -0.06 -2.12 0.00 0.00 175.29 174.00 1r29 s PHE 11 N 1.13 3.12 -0.54 0.91 0.40 -1.26 -4.96 117.98 116.79 1r29 s PHE 11 Ca 0.07 -0.90 0.25 0.00 -0.60 0.00 0.00 56.93 55.75 1r29 s PHE 11 Cb -0.14 -3.62 0.93 0.00 0.51 0.00 0.00 43.02 40.71 1r29 s PHE 11 CO 0.05 -1.04 1.74 1.79 0.70 0.00 0.00 175.22 178.46 1r29 h THR 12 N 5.86 0.00 -0.02 0.64 1.35 -2.06 -2.60 112.91 116.08 1r29 h THR 12 Ca -0.29 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1r29 h THR 12 Cb 1.10 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1r29 h THR 12 CO 0.99 0.00 -0.19 0.54 -0.25 0.00 0.00 175.52 176.61 1r29 n ARG 13 N -2.30 1.55 -0.06 4.72 1.74 -1.26 -4.70 116.66 116.34 1r29 n ARG 13 Ca 0.03 -1.10 -0.10 0.00 -0.77 0.00 0.00 57.85 55.91 1r29 n ARG 13 Cb 0.30 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 1r29 n ARG 13 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1r29 h HIS 14 N 2.42 0.30 -0.73 -1.55 2.76 -1.89 -0.97 115.15 115.49 1r29 h HIS 14 Ca 0.00 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1r29 h HIS 14 Cb 0.61 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 1r29 h HIS 14 CO 0.00 0.26 0.36 0.00 -1.30 0.00 0.00 177.93 177.24 1r29 h ALA 15 N 1.01 0.94 -0.61 5.26 0.00 -1.84 0.66 119.26 124.68 1r29 h ALA 15 Ca 0.08 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1r29 h ALA 15 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1r29 h ALA 15 CO -0.01 0.50 0.02 0.66 0.00 0.00 0.00 179.25 180.41 1r29 h SER 16 N 1.02 1.04 -0.61 0.00 4.64 -1.85 -1.21 113.55 116.58 1r29 h SER 16 Ca 0.25 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1r29 h SER 16 Cb 0.11 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 1r29 h SER 16 CO -0.03 1.08 0.39 0.44 -0.87 0.00 0.00 176.83 177.83 1r29 h ASP 17 N 0.98 0.72 -0.37 4.97 3.32 -0.64 -1.00 116.42 124.40 1r29 h ASP 17 Ca 0.18 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1r29 h ASP 17 Cb 0.54 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1r29 h ASP 17 CO 0.03 0.55 0.18 0.58 -1.72 0.00 0.00 179.24 178.85 1r29 h VAL 18 N 0.83 1.16 -0.63 -1.35 2.07 -0.57 -1.42 116.25 116.34 1r29 h VAL 18 Ca 0.22 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1r29 h VAL 18 Cb -0.06 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1r29 h VAL 18 CO -0.04 0.17 0.26 0.25 0.02 0.00 0.00 177.57 178.23 1r29 h LEU 19 N 0.46 0.86 -0.41 2.57 5.85 -1.01 0.10 115.31 123.73 1r29 h LEU 19 Ca 0.13 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1r29 h LEU 19 Cb 0.11 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1r29 h LEU 19 CO -0.02 0.80 0.04 0.25 -0.34 0.00 0.00 178.44 179.17 1r29 h LEU 20 N 0.88 -0.09 -0.94 2.25 5.85 -1.01 -0.26 115.31 121.99 1r29 h LEU 20 Ca 0.21 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 1r29 h LEU 20 Cb 0.20 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1r29 h LEU 20 CO -0.02 -0.01 -0.17 0.78 -0.34 0.00 0.00 178.44 178.68 1r29 h ASN 21 N 0.16 0.57 -0.52 1.25 2.35 -0.58 -0.75 115.58 118.06 1r29 h ASN 21 Ca 0.20 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1r29 h ASN 21 Cb 0.27 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1r29 h ASN 21 CO -0.31 0.76 0.06 -0.07 -1.65 0.00 0.00 177.43 176.22 1r29 h LEU 22 N 0.52 0.89 -0.96 1.61 3.38 -0.36 -0.96 115.31 119.42 1r29 h LEU 22 Ca 0.09 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1r29 h LEU 22 Cb 0.60 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1r29 h LEU 22 CO 0.04 0.92 -0.02 -1.13 0.09 0.00 0.00 178.44 178.33 1r29 h ASN 23 N 0.87 0.70 -0.78 -0.43 -0.00 -0.60 -1.24 115.58 114.09 1r29 h ASN 23 Ca 0.17 -0.17 -0.01 0.00 -0.00 0.00 0.00 56.30 56.30 1r29 h ASN 23 Cb 0.43 -0.19 -0.04 0.00 -0.00 0.00 0.00 38.32 38.53 1r29 h ASN 23 CO 0.01 0.78 0.46 0.03 -0.00 0.00 0.00 177.43 178.72 1r29 h ARG 24 N 0.68 1.07 -0.58 6.67 3.08 -0.75 -0.09 114.38 124.45 1r29 h ARG 24 Ca 0.13 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1r29 h ARG 24 Cb 0.45 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1r29 h ARG 24 CO 0.02 0.76 0.36 -0.07 -1.07 0.00 0.00 179.97 179.97 1r29 h LEU 25 N 1.07 0.59 -0.71 3.04 3.38 -0.81 -2.34 115.31 119.53 1r29 h LEU 25 Ca 0.28 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1r29 h LEU 25 Cb -0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1r29 h LEU 25 CO -0.05 0.42 0.46 -0.09 0.09 0.00 0.00 178.44 179.27 1r29 h ARG 26 N 0.72 0.95 0.00 1.13 2.43 -0.60 0.02 114.38 119.03 1r29 h ARG 26 Ca 0.23 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1r29 h ARG 26 Cb -0.00 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1r29 h ARG 26 CO -0.09 0.64 -0.00 0.66 -1.51 0.00 0.00 179.97 179.67 1r29 h SER 27 N 0.97 0.00 -0.27 -3.80 4.64 -0.53 -1.08 113.55 113.48 1r29 h SER 27 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1r29 h SER 27 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1r29 h SER 27 CO -0.05 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.45 1r29 n ARG 28 N -3.12 2.06 -3.38 4.77 1.74 -0.85 -4.98 116.66 112.90 1r29 n ARG 28 Ca -0.02 -1.86 -0.25 0.00 -0.77 0.00 0.00 57.85 54.95 1r29 n ARG 28 Cb 0.15 -1.32 0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1r29 n ARG 28 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1r29 n ASP 29 N 0.84 -5.24 -4.60 0.55 4.64 -0.41 -4.95 116.55 107.37 1r29 n ASP 29 Ca 0.12 -0.45 -0.40 0.00 -1.38 0.00 0.00 54.79 52.68 1r29 n ASP 29 Cb 0.43 -4.22 -0.08 0.00 -1.04 0.00 0.00 41.12 36.21 1r29 n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1r29 s ILE 30 N -3.16 5.10 -1.32 5.18 1.01 -0.14 -4.21 121.20 123.68 1r29 s ILE 30 Ca 0.45 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.77 1r29 s ILE 30 Cb -0.21 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1r29 s ILE 30 CO 0.55 0.07 0.00 0.18 0.00 0.00 0.00 174.94 175.74 1r29 n LEU 31 N 5.49 -0.64 -4.76 2.97 4.77 -1.26 -4.58 117.00 118.99 1r29 n LEU 31 Ca -0.06 0.31 -0.40 0.00 -0.03 0.00 0.00 56.01 55.83 1r29 n LEU 31 Cb 0.50 -2.44 0.02 0.00 -2.33 0.00 0.00 43.42 39.17 1r29 n LEU 31 CO 0.40 -0.92 1.07 0.42 -1.33 0.00 0.00 177.39 177.03 1r29 s THR 32 N -2.19 2.01 -0.00 -5.08 -4.23 -1.26 -4.83 115.64 100.05 1r29 s THR 32 Ca 0.00 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1r29 s THR 32 Cb 0.00 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.85 1r29 s THR 32 CO 0.00 0.00 0.69 -0.90 -0.54 0.00 0.00 174.62 173.87 1r29 n ASP 33 N -0.32 0.30 -3.64 3.99 3.85 -0.54 -4.97 116.55 115.22 1r29 n ASP 33 Ca 0.06 -1.41 -0.15 0.00 -0.71 0.00 0.00 54.79 52.58 1r29 n ASP 33 Cb 0.42 -0.06 -0.07 0.00 -1.35 0.00 0.00 41.12 40.05 1r29 n ASP 33 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1r29 s VAL 34 N -0.22 0.02 -0.15 2.12 0.11 -1.13 -4.62 120.40 116.54 1r29 s VAL 34 Ca 0.01 -0.20 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1r29 s VAL 34 Cb 0.01 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1r29 s VAL 34 CO 0.00 -0.11 -0.10 0.54 -3.33 0.00 0.00 175.10 172.10 1r29 s VAL 35 N -1.06 3.19 -0.33 2.04 0.11 -0.25 -1.65 120.40 122.46 1r29 s VAL 35 Ca -0.11 -0.60 -0.12 0.00 -2.93 0.00 0.00 61.98 58.23 1r29 s VAL 35 Cb -0.03 -2.37 -0.01 0.00 -1.53 0.00 0.00 36.38 32.44 1r29 s VAL 35 CO 0.06 0.50 0.21 -0.63 -3.33 0.00 0.00 175.10 171.92 1r29 s ILE 36 N 0.57 5.05 -0.24 7.04 -1.09 0.53 -1.01 121.20 132.05 1r29 s ILE 36 Ca -0.07 -0.28 -0.15 0.00 -2.23 0.00 0.00 60.65 57.93 1r29 s ILE 36 Cb -0.15 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1r29 s ILE 36 CO 0.03 0.02 0.36 -0.69 -1.23 0.00 0.00 174.94 173.43 1r29 s VAL 37 N 1.69 5.21 -0.39 2.92 1.01 0.33 -0.94 120.40 130.23 1r29 s VAL 37 Ca 0.06 0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1r29 s VAL 37 Cb -0.17 -3.69 0.12 0.00 0.00 0.00 0.00 36.38 32.64 1r29 s VAL 37 CO 0.09 0.22 0.17 -0.69 0.00 0.00 0.00 175.10 174.89 1r29 s VAL 38 N 1.63 1.37 0.00 2.92 1.01 0.11 -1.23 120.40 126.20 1r29 s VAL 38 Ca 0.16 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 59.97 1r29 s VAL 38 Cb -0.15 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1r29 s VAL 38 CO 0.08 -0.79 0.00 -1.20 0.00 0.00 0.00 175.10 173.20 1r29 n SER 39 N 4.04 0.00 -0.36 3.32 7.64 -1.26 -1.43 113.62 125.57 1r29 n SER 39 Ca 0.04 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.07 1r29 n SER 39 Cb 0.38 0.00 0.58 0.00 -1.01 0.00 0.00 64.21 64.16 1r29 n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1r29 n ARG 40 N 13.49 1.42 -4.21 1.43 1.74 -1.26 -4.89 116.66 124.38 1r29 n ARG 40 Ca 0.00 -0.72 -0.23 0.00 -0.77 0.00 0.00 57.85 56.13 1r29 n ARG 40 Cb 0.00 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 29.89 1r29 n ARG 40 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1r29 s GLU 41 N -2.08 2.41 0.01 5.56 2.02 -0.51 -5.14 118.70 120.97 1r29 s GLU 41 Ca 0.38 -1.40 0.03 0.00 0.02 0.00 0.00 54.97 54.00 1r29 s GLU 41 Cb 0.21 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 1r29 s GLU 41 CO 0.37 0.30 -0.10 -0.65 0.02 0.00 0.00 175.26 175.19 1r29 s GLN 42 N -3.75 0.77 -0.07 1.61 -0.21 -1.26 -0.71 119.66 116.04 1r29 s GLN 42 Ca 0.33 -0.51 -0.00 0.00 0.02 0.00 0.00 55.36 55.20 1r29 s GLN 42 Cb -0.06 -0.73 0.03 0.00 1.00 0.00 0.00 33.01 33.25 1r29 s GLN 42 CO 0.21 0.19 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.49 1r29 s PHE 43 N -0.55 0.84 0.27 0.91 0.40 -0.12 -4.96 117.98 114.77 1r29 s PHE 43 Ca 0.01 -0.28 -0.14 0.00 -0.60 0.00 0.00 56.93 55.93 1r29 s PHE 43 Cb -0.06 -0.83 -0.08 0.00 0.51 0.00 0.00 43.02 42.56 1r29 s PHE 43 CO 0.00 -0.31 0.66 1.03 0.70 0.00 0.00 175.22 177.30 1r29 s ARG 44 N 1.56 3.96 0.35 0.44 0.52 -1.26 -0.34 118.95 124.17 1r29 s ARG 44 Ca -0.01 0.55 -0.13 0.00 -0.52 0.00 0.00 55.73 55.63 1r29 s ARG 44 Cb -0.13 -2.58 0.03 0.00 0.52 0.00 0.00 34.95 32.79 1r29 s ARG 44 CO -0.04 0.25 0.68 0.00 0.02 0.00 0.00 175.30 176.21 1r29 s ALA 45 N -1.85 -0.37 -0.26 2.13 0.00 -0.66 -4.96 121.76 115.79 1r29 s ALA 45 Ca 0.50 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 1r29 s ALA 45 Cb -0.11 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1r29 s ALA 45 CO 0.19 -0.93 0.17 -1.01 0.00 0.00 0.00 175.76 174.18 1r29 s HIS 46 N -2.84 3.25 0.31 0.00 3.76 -1.26 -1.47 115.29 117.05 1r29 s HIS 46 Ca 0.19 0.14 0.06 0.00 -0.15 0.00 0.00 55.06 55.30 1r29 s HIS 46 Cb -0.04 -2.33 0.74 0.00 1.11 0.00 0.00 32.58 32.06 1r29 s HIS 46 CO 0.13 -0.09 1.80 0.87 -0.85 0.00 0.00 174.74 176.60 1r29 h LYS 47 N 8.06 0.75 -0.84 1.40 1.57 -1.92 -1.15 116.57 124.44 1r29 h LYS 47 Ca -0.36 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1r29 h LYS 47 Cb 1.18 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 1r29 h LYS 47 CO 0.59 0.50 0.40 1.79 -0.57 0.00 0.00 179.45 182.16 1r29 h THR 48 N 0.78 1.26 -0.38 -0.16 1.35 -1.99 0.36 112.91 114.12 1r29 h THR 48 Ca 0.55 -0.74 -0.14 0.00 -0.55 0.00 0.00 66.41 65.54 1r29 h THR 48 Cb 0.84 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 1r29 h THR 48 CO -0.33 0.32 -0.29 0.58 -0.25 0.00 0.00 175.52 175.55 1r29 h VAL 49 N 1.20 1.28 -0.41 6.82 2.07 -1.67 -1.33 116.25 124.22 1r29 h VAL 49 Ca 0.29 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.40 1r29 h VAL 49 Cb 0.13 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1r29 h VAL 49 CO -0.04 0.48 0.16 -0.07 0.02 0.00 0.00 177.57 178.13 1r29 h LEU 50 N 0.68 0.20 -1.09 2.57 3.38 -0.89 -2.41 115.31 117.76 1r29 h LEU 50 Ca 0.07 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1r29 h LEU 50 Cb 0.87 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1r29 h LEU 50 CO 0.08 0.15 -0.08 0.24 0.09 0.00 0.00 178.44 178.92 1r29 h MET 51 N 0.34 0.55 0.00 1.13 2.86 -0.83 -1.65 114.93 117.33 1r29 h MET 51 Ca 0.18 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1r29 h MET 51 Cb 0.15 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1r29 h MET 51 CO -0.17 0.64 0.00 0.00 1.06 0.00 0.00 176.91 178.44 1r29 n ALA 52 N -2.48 1.71 -0.00 6.32 0.00 -0.51 -4.06 120.51 121.49 1r29 n ALA 52 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1r29 n ALA 52 Cb 0.30 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 1r29 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r29 s SER 54 N -2.50 1.08 0.35 0.00 0.15 -0.66 -4.76 113.70 107.36 1r29 s SER 54 Ca -0.01 -0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.55 1r29 s SER 54 Cb 0.01 -0.48 0.64 0.00 -1.71 0.00 0.00 66.02 64.48 1r29 s SER 54 CO 0.07 -0.07 1.92 1.23 1.20 0.00 0.00 173.24 177.60 1r29 h GLY 55 N 7.31 0.62 0.88 9.45 0.00 -0.74 0.04 103.07 120.62 1r29 h GLY 55 Ca -0.35 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1r29 h GLY 55 CO 0.45 0.31 -0.15 -2.00 0.00 0.00 0.00 176.54 175.15 1r29 h LEU 56 N 0.56 -0.34 -0.93 3.11 5.85 -1.65 -0.72 115.31 121.19 1r29 h LEU 56 Ca 0.13 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 1r29 h LEU 56 Cb 0.22 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1r29 h LEU 56 CO -0.00 -0.14 -0.28 -0.26 -0.34 0.00 0.00 178.44 177.42 1r29 h PHE 57 N -0.54 0.51 -0.13 1.25 0.05 -1.76 -1.61 116.94 114.71 1r29 h PHE 57 Ca -0.04 -0.11 0.02 0.00 3.82 0.00 0.00 57.97 61.66 1r29 h PHE 57 Cb 0.40 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.20 1r29 h PHE 57 CO -0.02 0.69 -0.02 -0.92 -0.18 0.00 0.00 178.31 177.87 1r29 h TYR 58 N 0.40 -0.04 -0.13 -0.55 3.20 -0.94 -1.27 116.97 117.64 1r29 h TYR 58 Ca 0.06 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1r29 h TYR 58 Cb 0.70 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1r29 h TYR 58 CO 0.02 -0.04 -0.15 0.66 -1.64 0.00 0.00 178.16 177.02 1r29 h SER 59 N 0.02 0.20 0.55 -2.11 4.64 -0.65 -1.22 113.55 114.98 1r29 h SER 59 Ca 0.06 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1r29 h SER 59 Cb 0.08 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1r29 h SER 59 CO -0.12 0.37 -0.27 0.40 -0.87 0.00 0.00 176.83 176.34 1r29 h ILE 60 N 0.20 0.00 0.00 0.95 2.04 -1.08 -3.34 117.51 116.28 1r29 h ILE 60 Ca 0.04 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1r29 h ILE 60 Cb 0.39 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1r29 h ILE 60 CO 0.02 0.00 0.00 -0.26 0.00 0.00 0.00 178.15 177.91 1r29 h PHE 61 N -1.12 0.00 0.00 1.37 -1.00 -1.13 -2.65 116.94 112.41 1r29 h PHE 61 Ca -0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.70 1r29 h PHE 61 Cb 0.57 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.13 1r29 h PHE 61 CO 0.01 0.00 0.00 1.15 -1.61 0.00 0.00 178.31 177.86 1r29 h THR 62 N 0.00 0.00 -3.33 -1.55 2.02 -1.38 -3.38 112.91 105.28 1r29 h THR 62 Ca 0.00 -0.43 -0.59 0.00 0.77 0.00 0.00 66.41 66.17 1r29 h THR 62 Cb 0.84 1.32 -0.08 0.00 -1.74 0.00 0.00 68.15 68.49 1r29 h THR 62 CO 0.00 0.00 0.67 -0.62 0.37 0.00 0.00 175.52 175.94 1r29 s ASP 63 N -4.66 6.85 0.55 4.18 -1.08 -1.00 -4.92 116.67 116.60 1r29 s ASP 63 Ca 0.07 0.94 0.27 0.00 -0.52 0.00 0.00 52.55 53.31 1r29 s ASP 63 Cb 0.10 -2.49 1.44 0.00 -1.46 0.00 0.00 42.92 40.51 1r29 s ASP 63 CO 0.52 -0.76 1.98 -0.61 0.52 0.00 0.00 175.17 176.81 1r29 h GLN 64 N 8.03 0.00 -0.86 4.34 5.75 -1.86 0.57 115.11 131.08 1r29 h GLN 64 Ca -0.22 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.36 1r29 h GLN 64 Cb 1.07 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.57 1r29 h GLN 64 CO 0.97 0.00 0.56 1.25 -2.65 0.00 0.00 178.83 178.96 1r29 h LEU 65 N 0.00 0.82 -0.64 -2.39 5.85 -1.91 -3.23 115.31 113.81 1r29 h LEU 65 Ca 0.26 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1r29 h LEU 65 Cb 1.09 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1r29 h LEU 65 CO -0.00 0.51 -0.18 0.29 -0.34 0.00 0.00 178.44 178.71 1r29 n LYS 66 N -4.50 2.42 0.09 1.25 5.02 0.04 -4.74 118.16 117.73 1r29 n LYS 66 Ca 0.14 -0.49 0.06 0.00 -2.02 0.00 0.00 58.31 56.00 1r29 n LYS 66 Cb 0.24 -1.00 0.50 0.00 -0.02 0.00 0.00 35.03 34.75 1r29 n LYS 66 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1r29 h ARG 67 N 0.81 0.34 -0.59 1.97 2.43 -1.15 -1.93 114.38 116.26 1r29 h ARG 67 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1r29 h ARG 67 Cb 0.26 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1r29 h ARG 67 CO 0.00 0.23 0.00 0.09 -1.51 0.00 0.00 179.97 178.78 1r29 n ASN 68 N -4.50 3.22 -4.77 -3.80 3.02 -1.26 -4.94 115.26 102.23 1r29 n ASN 68 Ca 0.01 -2.05 -0.41 0.00 -0.03 0.00 0.00 54.58 52.11 1r29 n ASN 68 Cb 0.08 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 38.85 1r29 n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r29 s LEU 69 N -1.08 4.24 0.00 3.41 1.43 -0.73 -4.90 118.68 121.05 1r29 s LEU 69 Ca 0.39 3.00 0.12 0.00 -1.03 0.00 0.00 54.13 56.61 1r29 s LEU 69 Cb 0.21 -3.77 -0.10 0.00 0.03 0.00 0.00 46.19 42.57 1r29 s LEU 69 CO 0.26 -0.99 0.54 -1.20 0.23 0.00 0.00 176.35 175.19 1r29 n SER 70 N 0.22 0.74 -3.91 2.29 7.64 -1.26 -4.86 113.62 114.47 1r29 n SER 70 Ca 0.02 -0.87 -0.20 0.00 1.01 0.00 0.00 58.87 58.84 1r29 n SER 70 Cb 0.40 0.87 -0.16 0.00 -1.01 0.00 0.00 64.21 64.31 1r29 n SER 70 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1r29 s VAL 71 N -1.96 0.59 -0.16 0.44 1.01 -1.26 -1.09 120.40 117.98 1r29 s VAL 71 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1r29 s VAL 71 Cb 0.09 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1r29 s VAL 71 CO 0.43 0.23 -0.17 -0.63 0.00 0.00 0.00 175.10 174.97 1r29 s ILE 72 N 0.81 1.76 -0.37 2.22 -1.09 -0.18 -4.97 121.20 119.38 1r29 s ILE 72 Ca -0.11 -0.75 -0.18 0.00 -2.23 0.00 0.00 60.65 57.37 1r29 s ILE 72 Cb -0.14 -1.61 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 1r29 s ILE 72 CO 0.01 0.49 0.50 0.20 -1.23 0.00 0.00 174.94 174.91 1r29 s ASN 73 N 1.35 6.29 0.71 3.58 0.01 -1.26 -0.51 114.94 125.11 1r29 s ASN 73 Ca 0.03 -0.15 -0.11 0.00 -0.71 0.00 0.00 52.86 51.93 1r29 s ASN 73 Cb -0.13 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.28 1r29 s ASN 73 CO -0.10 -0.51 1.06 -0.76 -1.51 0.00 0.00 177.10 175.28 1r29 s LEU 74 N 2.37 3.07 -0.01 0.60 1.43 -0.37 -4.96 118.68 120.80 1r29 s LEU 74 Ca 0.18 1.58 -0.40 0.00 -1.03 0.00 0.00 54.13 54.46 1r29 s LEU 74 Cb -0.16 -4.42 -0.19 0.00 0.03 0.00 0.00 46.19 41.45 1r29 s LEU 74 CO 0.14 -1.51 1.19 -0.67 0.23 0.00 0.00 176.35 175.73 1r29 n ASP 75 N -3.17 0.58 0.24 2.29 4.64 -1.26 -4.79 116.55 115.09 1r29 n ASP 75 Ca 0.07 1.15 0.16 0.00 -1.38 0.00 0.00 54.79 54.80 1r29 n ASP 75 Cb 0.54 -1.00 0.86 0.00 -1.04 0.00 0.00 41.12 40.48 1r29 n ASP 75 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1r29 h PRO 76 N 3.66 0.00 0.00 -0.67 0.13 -1.96 -0.88 132.00 132.29 1r29 h PRO 76 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1r29 h PRO 76 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1r29 h PRO 76 CO 0.71 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.41 1r29 h GLU 77 N 0.00 0.00 -6.60 0.86 4.39 -2.03 -3.45 114.58 107.75 1r29 h GLU 77 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 1r29 h GLU 77 Cb 0.05 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1r29 h GLU 77 CO 0.00 0.00 0.62 0.42 -1.16 0.00 0.00 179.01 178.89 1r29 s ILE 78 N -3.45 3.54 0.03 3.13 -1.09 -0.34 -5.00 121.20 118.03 1r29 s ILE 78 Ca 0.04 1.19 -0.26 0.00 -2.23 0.00 0.00 60.65 59.39 1r29 s ILE 78 Cb 0.08 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 1r29 s ILE 78 CO 0.58 0.14 0.81 0.54 -1.23 0.00 0.00 174.94 175.79 1r29 s ASN 79 N 0.63 7.24 0.29 3.58 4.22 -1.26 -4.54 114.94 125.10 1r29 s ASN 79 Ca 0.58 1.49 -0.02 0.00 -2.14 0.00 0.00 52.86 52.77 1r29 s ASN 79 Cb -0.34 -2.49 0.44 0.00 1.28 0.00 0.00 41.25 40.14 1r29 s ASN 79 CO 0.34 -0.05 1.93 -0.65 -2.04 0.00 0.00 177.10 176.62 1r29 h PRO 80 N 5.98 1.10 -0.18 3.55 0.11 -1.95 -1.84 132.00 138.77 1r29 h PRO 80 Ca -0.43 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1r29 h PRO 80 Cb 1.21 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1r29 h PRO 80 CO 0.72 0.73 0.10 1.49 -0.21 0.00 0.00 178.00 180.83 1r29 h GLU 81 N 1.14 0.20 -0.62 1.05 4.81 -1.97 0.19 114.58 119.38 1r29 h GLU 81 Ca 0.36 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1r29 h GLU 81 Cb 0.02 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1r29 h GLU 81 CO -0.11 0.13 0.30 0.78 -0.73 0.00 0.00 179.01 179.39 1r29 h GLY 82 N 0.21 0.96 0.97 1.92 0.00 -1.84 -1.05 103.07 104.24 1r29 h GLY 82 Ca 0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1r29 h GLY 82 CO -0.04 0.45 0.17 -2.75 0.00 0.00 0.00 176.54 174.37 1r29 h PHE 83 N 0.85 0.37 -0.99 5.60 3.57 -1.11 -2.46 116.94 122.77 1r29 h PHE 83 Ca 0.21 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1r29 h PHE 83 Cb 0.11 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1r29 h PHE 83 CO 0.00 0.29 0.66 -0.97 -2.23 0.00 0.00 178.31 176.05 1r29 h ASN 84 N 0.35 1.12 -0.92 0.41 -1.24 -0.26 0.12 115.58 115.16 1r29 h ASN 84 Ca 0.10 -0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.11 1r29 h ASN 84 Cb 0.02 -0.27 -0.05 0.00 0.73 0.00 0.00 38.32 38.76 1r29 h ASN 84 CO -0.02 0.79 0.61 0.40 -1.29 0.00 0.00 177.43 177.92 1r29 h ILE 85 N 1.31 1.21 -0.11 2.57 2.04 -1.02 -0.54 117.51 122.97 1r29 h ILE 85 Ca 0.38 -0.42 -0.22 0.00 1.00 0.00 0.00 64.86 65.60 1r29 h ILE 85 Cb -0.09 -0.12 0.01 0.00 -0.74 0.00 0.00 36.82 35.88 1r29 h ILE 85 CO -0.10 0.22 -0.81 -0.07 0.00 0.00 0.00 178.15 177.40 1r29 h LEU 86 N 1.22 0.80 -0.43 1.44 3.38 -0.85 -1.54 115.31 119.33 1r29 h LEU 86 Ca 0.35 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1r29 h LEU 86 Cb -0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1r29 h LEU 86 CO -0.09 1.33 0.27 0.25 0.09 0.00 0.00 178.44 180.29 1r29 h LEU 87 N 0.44 0.51 -0.74 1.67 5.85 -0.61 -0.34 115.31 122.09 1r29 h LEU 87 Ca -0.06 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1r29 h LEU 87 Cb 1.43 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 1r29 h LEU 87 CO 0.16 0.40 0.47 0.44 -0.34 0.00 0.00 178.44 179.56 1r29 h ASP 88 N 0.57 0.78 -0.36 1.25 3.32 -1.05 -2.24 116.42 118.69 1r29 h ASP 88 Ca 0.15 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.25 1r29 h ASP 88 Cb -0.03 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 1r29 h ASP 88 CO -0.03 0.54 0.07 0.15 -1.72 0.00 0.00 179.24 178.25 1r29 h PHE 89 N 0.92 0.12 -1.00 4.55 3.57 -0.82 -0.67 116.94 123.62 1r29 h PHE 89 Ca 0.29 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.99 1r29 h PHE 89 Cb 0.00 -0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.64 1r29 h PHE 89 CO -0.03 0.02 0.61 0.52 -2.23 0.00 0.00 178.31 177.20 1r29 h MET 90 N 0.20 0.80 -0.01 1.11 2.86 -0.48 0.21 114.93 119.61 1r29 h MET 90 Ca 0.17 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1r29 h MET 90 Cb 0.19 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1r29 h MET 90 CO -0.22 0.53 -0.28 0.66 1.06 0.00 0.00 176.91 178.66 1r29 n TYR 91 N -4.73 0.00 0.00 -0.22 4.02 -0.80 -4.51 117.16 110.92 1r29 n TYR 91 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 1r29 n TYR 91 Cb 0.51 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 1r29 n TYR 91 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1r29 n THR 92 N -0.46 0.00 -0.99 -0.72 -2.24 -0.33 -4.55 114.28 105.00 1r29 n THR 92 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1r29 n THR 92 Cb 0.37 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1r29 n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1r29 n SER 93 N -0.54 -3.78 -4.24 3.42 7.64 0.00 -5.00 113.62 111.12 1r29 n SER 93 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1r29 n SER 93 Cb 0.00 -1.53 -0.16 0.00 -1.01 0.00 0.00 64.21 61.52 1r29 n SER 93 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1r29 s ARG 94 N -0.69 3.15 -0.23 1.43 0.52 -1.26 -5.06 118.95 116.80 1r29 s ARG 94 Ca 0.00 -0.80 -0.03 0.00 -0.52 0.00 0.00 55.73 54.38 1r29 s ARG 94 Cb 0.00 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.96 1r29 s ARG 94 CO 0.00 0.05 -0.04 -1.17 0.02 0.00 0.00 175.30 174.16 1r29 s LEU 95 N 0.69 3.03 -1.29 2.53 2.96 -1.26 -3.72 118.68 121.62 1r29 s LEU 95 Ca -0.09 -0.56 -0.14 0.00 -0.22 0.00 0.00 54.13 53.12 1r29 s LEU 95 Cb -0.16 -1.72 0.13 0.00 0.50 0.00 0.00 46.19 44.94 1r29 s LEU 95 CO 0.01 -0.07 1.74 -3.20 -1.32 0.00 0.00 176.35 173.51 1r29 n ASN 96 N 4.76 4.92 -4.73 3.68 5.15 -1.26 -4.96 115.26 122.82 1r29 n ASN 96 Ca -0.17 -2.98 -0.37 0.00 -0.60 0.00 0.00 54.58 50.46 1r29 n ASN 96 Cb 0.49 -1.61 -0.06 0.00 -0.53 0.00 0.00 39.78 38.07 1r29 n ASN 96 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1r29 s LEU 97 N 1.91 4.27 0.13 1.20 1.43 -1.26 -4.99 118.68 121.36 1r29 s LEU 97 Ca 0.45 0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 54.19 1r29 s LEU 97 Cb 0.04 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 1r29 s LEU 97 CO 0.01 0.07 0.11 -0.13 0.23 0.00 0.00 176.35 176.64 1r29 s ARG 98 N 0.43 0.94 0.24 1.70 0.52 -1.26 -5.02 118.95 116.50 1r29 s ARG 98 Ca 0.21 -1.31 -0.04 0.00 -0.52 0.00 0.00 55.73 54.07 1r29 s ARG 98 Cb -0.14 0.28 0.41 0.00 0.52 0.00 0.00 34.95 36.02 1r29 s ARG 98 CO 0.07 -0.28 1.78 1.05 0.02 0.00 0.00 175.30 177.94 1r29 h GLU 99 N 2.81 0.65 0.00 3.54 -0.00 -2.00 0.23 114.58 119.80 1r29 h GLU 99 Ca -0.34 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 58.98 1r29 h GLU 99 Cb 1.20 -0.15 0.00 0.00 -0.00 0.00 0.00 28.75 29.80 1r29 h GLU 99 CO 0.57 0.43 0.00 0.41 -0.00 0.00 0.00 179.01 180.42 1r29 n GLY 100 N -1.32 -1.29 0.00 1.06 0.00 -1.26 -3.75 105.19 98.64 1r29 n GLY 100 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1r29 n GLY 100 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r29 n ASN 101 N -1.77 0.26 -0.28 1.61 0.23 -0.67 -4.86 115.26 109.78 1r29 n ASN 101 Ca 0.04 -0.59 -0.00 0.00 -0.53 0.00 0.00 54.58 53.50 1r29 n ASN 101 Cb 0.26 0.43 0.12 0.00 -2.08 0.00 0.00 39.78 38.51 1r29 n ASN 101 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1r29 h ILE 102 N 0.12 1.01 -0.42 1.53 -0.00 -1.08 0.10 117.51 118.77 1r29 h ILE 102 Ca 0.00 -0.29 -0.10 0.00 -0.00 0.00 0.00 64.86 64.47 1r29 h ILE 102 Cb 0.06 0.09 -0.01 0.00 -0.00 0.00 0.00 36.82 36.95 1r29 h ILE 102 CO 0.00 0.16 -0.11 0.24 -0.00 0.00 0.00 178.15 178.43 1r29 h MET 103 N 0.85 0.81 -0.56 2.19 0.00 -1.86 0.11 114.93 116.46 1r29 h MET 103 Ca 0.34 -0.32 -0.07 0.00 0.00 0.00 0.00 59.70 59.65 1r29 h MET 103 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 31.60 31.71 1r29 h MET 103 CO -0.18 0.94 0.07 0.00 0.00 0.00 0.00 176.91 177.74 1r29 h ALA 104 N 0.85 0.75 -0.55 6.32 0.00 -1.80 -0.80 119.26 124.02 1r29 h ALA 104 Ca 0.10 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1r29 h ALA 104 Cb 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1r29 h ALA 104 CO 0.04 0.52 0.07 0.28 0.00 0.00 0.00 179.25 180.16 1r29 h VAL 105 N 0.84 1.26 -0.24 0.00 2.07 -0.80 -1.06 116.25 118.31 1r29 h VAL 105 Ca 0.17 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1r29 h VAL 105 Cb 0.45 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1r29 h VAL 105 CO 0.02 0.36 0.06 -0.03 0.02 0.00 0.00 177.57 178.00 1r29 h MET 106 N 0.82 0.38 -0.59 1.57 -1.53 -0.74 0.75 114.93 115.59 1r29 h MET 106 Ca 0.17 -0.09 -0.08 0.00 -3.44 0.00 0.00 59.70 56.26 1r29 h MET 106 Cb 0.44 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.41 1r29 h MET 106 CO 0.01 0.48 0.05 0.00 0.14 0.00 0.00 176.91 177.60 1r29 h ALA 107 N 0.88 0.98 -0.69 0.39 0.00 -1.09 -0.54 119.26 119.20 1r29 h ALA 107 Ca 0.08 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1r29 h ALA 107 Cb 0.27 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1r29 h ALA 107 CO 0.00 0.63 0.15 1.15 0.00 0.00 0.00 179.25 181.18 1r29 h THR 108 N 0.91 1.26 -0.27 0.00 2.02 -0.92 -1.74 112.91 114.17 1r29 h THR 108 Ca 0.18 -0.99 -0.07 0.00 0.77 0.00 0.00 66.41 66.30 1r29 h THR 108 Cb 0.46 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1r29 h THR 108 CO 0.02 0.38 -0.12 0.00 0.37 0.00 0.00 175.52 176.16 1r29 h ALA 109 N 1.07 1.28 -0.13 6.16 0.00 -0.46 0.56 119.26 127.75 1r29 h ALA 109 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1r29 h ALA 109 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1r29 h ALA 109 CO 0.01 0.48 0.07 0.52 0.00 0.00 0.00 179.25 180.32 1r29 h MET 110 N 0.43 0.18 -0.70 0.00 2.86 -0.78 -0.85 114.93 116.06 1r29 h MET 110 Ca 0.08 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1r29 h MET 110 Cb 0.47 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1r29 h MET 110 CO 0.03 0.22 0.46 -0.92 1.06 0.00 0.00 176.91 177.75 1r29 h TYR 111 N 0.09 0.89 0.00 -0.22 3.20 -0.87 -1.29 116.97 118.77 1r29 h TYR 111 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1r29 h TYR 111 Cb 0.09 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1r29 h TYR 111 CO -0.04 0.57 0.00 1.28 -1.64 0.00 0.00 178.16 178.33 1r29 n LEU 112 N -4.59 0.00 -3.49 2.82 4.77 0.15 -4.70 117.00 111.96 1r29 n LEU 112 Ca 0.06 0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.95 1r29 n LEU 112 Cb 0.02 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1r29 n LEU 112 CO 0.36 -0.01 -0.02 0.00 -1.33 0.00 0.00 177.39 176.39 1r29 n GLN 113 N -1.12 -2.76 -3.73 3.23 6.02 -0.47 -2.15 117.38 116.40 1r29 n GLN 113 Ca 0.18 0.69 -0.34 0.00 -0.01 0.00 0.00 57.00 57.51 1r29 n GLN 113 Cb 0.15 -5.15 -0.09 0.00 1.02 0.00 0.00 30.24 26.17 1r29 n GLN 113 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1r29 s MET 114 N -5.29 2.89 0.22 -1.09 -1.94 -0.45 -1.09 119.30 112.55 1r29 s MET 114 Ca 0.34 -3.11 -0.01 0.00 -1.71 0.00 0.00 55.69 51.21 1r29 s MET 114 Cb -0.08 -3.76 0.20 0.00 2.01 0.00 0.00 34.83 33.20 1r29 s MET 114 CO 0.79 -1.24 1.56 1.49 -0.01 0.00 0.00 175.02 177.61 1r29 h GLU 115 N 6.11 0.51 -0.66 2.03 4.57 -1.91 -0.83 114.58 124.40 1r29 h GLU 115 Ca 0.11 -0.29 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 1r29 h GLU 115 Cb 0.83 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 1r29 h GLU 115 CO 0.79 0.88 0.20 0.45 -1.18 0.00 0.00 179.01 180.14 1r29 h HIS 116 N 0.40 1.04 -0.51 0.92 3.86 -1.98 -0.47 115.15 118.41 1r29 h HIS 116 Ca 0.02 -0.10 -0.11 0.00 -1.16 0.00 0.00 60.37 59.03 1r29 h HIS 116 Cb 0.99 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 1r29 h HIS 116 CO 0.04 0.83 -0.10 0.28 0.86 0.00 0.00 177.93 179.84 1r29 h VAL 117 N 0.97 1.26 -0.61 2.45 2.07 -1.81 -1.67 116.25 118.91 1r29 h VAL 117 Ca 0.21 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1r29 h VAL 117 Cb 0.29 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1r29 h VAL 117 CO -0.01 0.43 0.39 0.58 0.02 0.00 0.00 177.57 178.98 1r29 h VAL 118 N 0.85 1.17 -0.93 2.57 2.07 -0.85 0.12 116.25 121.25 1r29 h VAL 118 Ca 0.14 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1r29 h VAL 118 Cb 0.64 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1r29 h VAL 118 CO 0.04 0.17 0.61 0.44 0.02 0.00 0.00 177.57 178.85 1r29 h ASP 119 N 0.83 1.06 -0.30 0.57 3.32 -0.89 -1.37 116.42 119.64 1r29 h ASP 119 Ca 0.22 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 1r29 h ASP 119 Cb -0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1r29 h ASP 119 CO -0.05 0.76 -0.21 0.74 -1.72 0.00 0.00 179.24 178.76 1r29 h THR 120 N 1.24 1.27 -0.80 0.35 2.02 -0.57 -1.52 112.91 114.91 1r29 h THR 120 Ca 0.34 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 1r29 h THR 120 Cb -0.12 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1r29 h THR 120 CO -0.08 0.44 0.43 0.00 0.37 0.00 0.00 175.52 176.68 1r29 h ARG 122 N 1.11 0.98 -0.65 0.00 3.08 -0.86 -0.71 114.38 117.33 1r29 h ARG 122 Ca 0.28 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1r29 h ARG 122 Cb 0.04 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1r29 h ARG 122 CO -0.04 0.83 0.09 0.87 -1.07 0.00 0.00 179.97 180.65 1r29 h LYS 123 N 0.96 1.08 -0.61 0.04 1.57 -0.74 -0.95 116.57 117.91 1r29 h LYS 123 Ca 0.22 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1r29 h LYS 123 Cb 0.25 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1r29 h LYS 123 CO -0.01 1.00 0.37 0.35 -0.57 0.00 0.00 179.45 180.59 1r29 h PHE 124 N 1.01 0.69 -0.51 -1.35 3.57 -0.43 -0.43 116.94 119.49 1r29 h PHE 124 Ca 0.20 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1r29 h PHE 124 Cb 0.45 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1r29 h PHE 124 CO 0.03 0.38 0.19 0.82 -2.23 0.00 0.00 178.31 177.50 1r29 h ILE 125 N 0.72 1.22 -0.82 1.41 2.04 -0.85 -2.33 117.51 118.90 1r29 h ILE 125 Ca 0.25 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1r29 h ILE 125 Cb 0.05 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1r29 h ILE 125 CO -0.12 0.26 0.43 0.50 0.00 0.00 0.00 178.15 179.23 1r29 h LYS 126 N 0.68 1.16 -0.00 2.37 3.64 -0.85 -2.47 116.57 121.10 1r29 h LYS 126 Ca 0.17 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1r29 h LYS 126 Cb 0.23 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1r29 h LYS 126 CO -0.01 0.87 -0.03 0.00 -2.27 0.00 0.00 179.45 178.00 1r29 n ALA 127 N -2.39 2.64 0.63 5.00 0.00 -0.20 -5.10 120.51 121.09 1r29 n ALA 127 Ca 0.08 -0.22 0.08 0.00 0.00 0.00 0.00 53.44 53.37 1r29 n ALA 127 Cb 0.11 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.19 1r29 n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95