#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2b s SER 7 N 0.00 0.68 -0.14 -2.24 0.01 -1.26 -5.15 113.70 105.60 1r2b s SER 7 Ca 0.00 -1.20 -0.04 0.00 1.31 0.00 0.00 55.95 56.01 1r2b s SER 7 Cb 0.00 0.23 0.07 0.00 0.21 0.00 0.00 66.02 66.53 1r2b s SER 7 CO 0.00 -0.67 0.22 -1.58 0.41 0.00 0.00 173.24 171.62 1r2b s GLN 8 N -4.00 0.13 -0.21 12.44 0.74 -1.26 -5.12 119.66 122.39 1r2b s GLN 8 Ca 0.25 0.51 -0.17 0.00 0.05 0.00 0.00 55.36 56.00 1r2b s GLN 8 Cb 0.07 -0.51 -0.04 0.00 1.10 0.00 0.00 33.01 33.63 1r2b s GLN 8 CO 0.03 -0.43 0.45 0.42 -0.55 0.00 0.00 175.29 175.21 1r2b s ILE 9 N 2.36 5.15 -0.33 -2.34 1.01 -1.26 -5.04 121.20 120.74 1r2b s ILE 9 Ca 0.04 0.80 -0.09 0.00 0.00 0.00 0.00 60.65 61.40 1r2b s ILE 9 Cb -0.13 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1r2b s ILE 9 CO -0.09 0.20 0.15 -1.10 0.00 0.00 0.00 174.94 174.11 1r2b s GLN 10 N 1.56 3.03 -0.67 2.79 -0.21 -1.26 -5.04 119.66 119.86 1r2b s GLN 10 Ca 0.21 -0.92 -0.23 0.00 0.02 0.00 0.00 55.36 54.43 1r2b s GLN 10 Cb -0.15 -3.58 0.06 0.00 1.00 0.00 0.00 33.01 30.34 1r2b s GLN 10 CO 0.09 -0.55 1.01 -0.06 -2.12 0.00 0.00 175.29 173.65 1r2b s PHE 11 N 1.55 2.62 -0.11 0.91 0.40 -1.26 -4.92 117.98 117.17 1r2b s PHE 11 Ca 0.03 -0.47 0.29 0.00 -0.60 0.00 0.00 56.93 56.18 1r2b s PHE 11 Cb -0.18 -4.33 1.32 0.00 0.51 0.00 0.00 43.02 40.34 1r2b s PHE 11 CO 0.05 -1.70 1.87 1.79 0.70 0.00 0.00 175.22 177.93 1r2b h THR 12 N 5.98 0.00 -0.14 0.64 1.35 -2.06 -2.78 112.91 115.91 1r2b h THR 12 Ca -0.29 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1r2b h THR 12 Cb 1.07 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1r2b h THR 12 CO 1.19 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 174.35 1r2b n ARG 13 N -2.61 1.82 0.04 4.72 1.85 -1.26 -4.77 116.66 116.45 1r2b n ARG 13 Ca 0.00 -1.49 -0.11 0.00 -1.00 0.00 0.00 57.85 55.26 1r2b n ARG 13 Cb 0.20 -1.15 -0.04 0.00 -1.05 0.00 0.00 32.46 30.42 1r2b n ARG 13 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1r2b h HIS 14 N 1.26 -0.65 -0.62 2.89 2.76 -1.91 0.91 115.15 119.79 1r2b h HIS 14 Ca 0.00 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.29 1r2b h HIS 14 Cb 0.51 0.30 -0.07 0.00 1.55 0.00 0.00 27.41 29.69 1r2b h HIS 14 CO 0.09 -0.33 0.24 0.00 -1.30 0.00 0.00 177.93 176.63 1r2b h ALA 15 N 0.53 0.80 -0.66 5.26 0.00 -1.86 0.21 119.26 123.54 1r2b h ALA 15 Ca 0.08 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1r2b h ALA 15 Cb 0.46 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1r2b h ALA 15 CO -0.25 -0.18 0.18 1.03 0.00 0.00 0.00 179.25 180.03 1r2b h SER 16 N 0.43 0.98 -0.41 0.00 0.87 -1.74 0.74 113.55 114.42 1r2b h SER 16 Ca 0.31 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 1r2b h SER 16 Cb 0.37 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1r2b h SER 16 CO -0.30 0.95 -0.07 0.44 -0.53 0.00 0.00 176.83 177.32 1r2b h ASP 17 N 0.97 0.83 -0.05 6.23 3.32 -0.05 -0.79 116.42 126.88 1r2b h ASP 17 Ca 0.21 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1r2b h ASP 17 Cb 0.33 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1r2b h ASP 17 CO -0.00 0.93 0.02 0.58 -1.72 0.00 0.00 179.24 179.05 1r2b h VAL 18 N 0.77 1.11 -0.97 -1.35 2.07 -0.17 -1.95 116.25 115.76 1r2b h VAL 18 Ca 0.13 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1r2b h VAL 18 Cb 0.56 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1r2b h VAL 18 CO 0.03 0.09 0.64 0.25 0.02 0.00 0.00 177.57 178.60 1r2b h LEU 19 N -0.06 1.04 -0.45 2.57 5.85 -0.62 -1.10 115.31 122.53 1r2b h LEU 19 Ca 0.02 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1r2b h LEU 19 Cb 0.13 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1r2b h LEU 19 CO -0.00 0.69 0.14 0.25 -0.34 0.00 0.00 178.44 179.18 1r2b h LEU 20 N 1.19 0.67 -1.88 2.25 5.85 -1.02 -1.66 115.31 120.71 1r2b h LEU 20 Ca 0.40 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1r2b h LEU 20 Cb 0.07 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1r2b h LEU 20 CO -0.14 0.70 -0.13 0.78 -0.34 0.00 0.00 178.44 179.31 1r2b h ASN 21 N 0.60 0.00 0.57 1.25 4.21 -0.58 0.19 115.58 121.82 1r2b h ASN 21 Ca 0.15 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.46 1r2b h ASN 21 Cb 0.28 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1r2b h ASN 21 CO -0.00 0.13 -0.85 -0.07 -1.29 0.00 0.00 177.43 175.34 1r2b h LEU 22 N 0.00 0.25 -0.62 1.61 3.38 -0.59 -2.47 115.31 116.87 1r2b h LEU 22 Ca -0.00 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 1r2b h LEU 22 Cb 0.30 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1r2b h LEU 22 CO 0.02 0.99 -0.68 -1.13 0.09 0.00 0.00 178.44 177.73 1r2b h ASN 23 N 0.11 0.08 0.13 -0.43 -1.24 -0.30 -1.92 115.58 112.02 1r2b h ASN 23 Ca -0.04 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 56.91 1r2b h ASN 23 Cb 1.47 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.50 1r2b h ASN 23 CO 0.13 0.73 -0.06 0.03 -1.29 0.00 0.00 177.43 176.97 1r2b h ARG 24 N 0.05 -0.17 -0.68 6.67 2.47 -0.89 -1.01 114.38 120.81 1r2b h ARG 24 Ca -0.01 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.84 1r2b h ARG 24 Cb 1.20 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 29.47 1r2b h ARG 24 CO 0.09 -0.02 0.25 -0.07 0.56 0.00 0.00 179.97 180.78 1r2b h LEU 25 N -0.29 0.22 0.11 3.04 3.38 -1.30 -0.17 115.31 120.30 1r2b h LEU 25 Ca -0.02 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1r2b h LEU 25 Cb 0.23 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1r2b h LEU 25 CO 0.03 0.10 -0.42 -0.09 0.09 0.00 0.00 178.44 178.16 1r2b h ARG 26 N 0.41 -0.62 0.00 1.13 2.43 -0.97 0.45 114.38 117.20 1r2b h ARG 26 Ca 0.36 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.55 1r2b h ARG 26 Cb 0.51 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1r2b h ARG 26 CO -0.37 -0.41 -0.10 0.66 -1.51 0.00 0.00 179.97 178.23 1r2b h SER 27 N -0.65 0.00 -0.52 -3.80 4.64 -0.36 0.31 113.55 113.17 1r2b h SER 27 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1r2b h SER 27 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1r2b h SER 27 CO -0.25 0.10 0.00 0.54 -0.87 0.00 0.00 176.83 176.35 1r2b n ARG 28 N -4.40 3.22 -4.24 4.77 1.74 -0.15 -4.92 116.66 112.67 1r2b n ARG 28 Ca -0.03 -2.29 -0.33 0.00 -0.77 0.00 0.00 57.85 54.43 1r2b n ARG 28 Cb 0.18 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 29.78 1r2b n ARG 28 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1r2b n ASP 29 N 0.85 -1.03 -4.75 0.55 4.64 0.49 -4.93 116.55 112.37 1r2b n ASP 29 Ca 0.21 -1.13 -0.35 0.00 -1.38 0.00 0.00 54.79 52.13 1r2b n ASP 29 Cb 0.75 -2.28 -0.08 0.00 -1.04 0.00 0.00 41.12 38.47 1r2b n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1r2b s ILE 30 N -3.77 5.33 0.00 5.18 1.01 0.13 -4.39 121.20 124.68 1r2b s ILE 30 Ca 0.36 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1r2b s ILE 30 Cb -0.20 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1r2b s ILE 30 CO 0.96 0.48 0.00 0.18 0.00 0.00 0.00 174.94 176.56 1r2b n LEU 31 N 3.20 0.85 -4.73 2.97 4.77 -1.26 -4.53 117.00 118.26 1r2b n LEU 31 Ca -0.17 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.41 1r2b n LEU 31 Cb 0.53 -1.96 0.02 0.00 -2.33 0.00 0.00 43.42 39.68 1r2b n LEU 31 CO 0.35 -0.74 0.98 0.35 -1.33 0.00 0.00 177.39 177.00 1r2b n THR 32 N -1.66 3.02 -2.12 -5.08 -2.24 -1.26 -4.88 114.28 100.06 1r2b n THR 32 Ca 0.00 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.32 1r2b n THR 32 Cb 0.32 -1.70 0.05 0.00 -2.10 0.00 0.00 70.33 66.90 1r2b n THR 32 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1r2b n ASP 33 N -0.29 0.94 -3.59 3.42 3.85 -0.90 -4.99 116.55 114.98 1r2b n ASP 33 Ca 0.07 -2.36 -0.04 0.00 -0.71 0.00 0.00 54.79 51.75 1r2b n ASP 33 Cb 0.42 -0.32 -0.02 0.00 -1.35 0.00 0.00 41.12 39.86 1r2b n ASP 33 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1r2b s VAL 34 N -0.70 0.00 -0.09 2.12 0.11 -1.19 -4.71 120.40 115.95 1r2b s VAL 34 Ca 0.25 -0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1r2b s VAL 34 Cb 0.27 -1.23 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1r2b s VAL 34 CO -0.09 0.00 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.94 1r2b s VAL 35 N -2.61 0.75 -0.25 2.04 1.01 -0.65 -2.39 120.40 118.31 1r2b s VAL 35 Ca 0.09 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1r2b s VAL 35 Cb -0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1r2b s VAL 35 CO -0.05 0.31 0.31 -0.63 0.00 0.00 0.00 175.10 175.04 1r2b s ILE 36 N 1.60 5.24 -0.25 2.22 -1.09 0.64 -1.08 121.20 128.48 1r2b s ILE 36 Ca 0.01 0.46 -0.11 0.00 -2.23 0.00 0.00 60.65 58.79 1r2b s ILE 36 Cb -0.13 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 1r2b s ILE 36 CO -0.05 0.23 0.17 -0.69 -1.23 0.00 0.00 174.94 173.37 1r2b s VAL 37 N 1.64 5.35 -0.42 2.92 1.01 0.49 -0.71 120.40 130.67 1r2b s VAL 37 Ca 0.13 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1r2b s VAL 37 Cb -0.15 -3.51 0.13 0.00 0.00 0.00 0.00 36.38 32.85 1r2b s VAL 37 CO 0.08 0.33 0.22 -0.69 0.00 0.00 0.00 175.10 175.05 1r2b s VAL 38 N 1.17 1.30 0.00 2.92 1.01 0.21 -1.85 120.40 125.15 1r2b s VAL 38 Ca 0.08 -2.40 0.00 0.00 0.00 0.00 0.00 61.98 59.65 1r2b s VAL 38 Cb -0.14 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1r2b s VAL 38 CO 0.06 -0.88 0.00 -1.20 0.00 0.00 0.00 175.10 173.08 1r2b n SER 39 N 3.69 0.00 0.21 3.32 7.64 -1.26 -3.03 113.62 124.19 1r2b n SER 39 Ca 0.08 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.00 1r2b n SER 39 Cb 0.35 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 64.01 1r2b n SER 39 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1r2b h ARG 40 N 0.00 0.00 -6.81 1.43 3.08 -1.96 -3.44 114.38 106.68 1r2b h ARG 40 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1r2b h ARG 40 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1r2b h ARG 40 CO 0.00 0.26 0.40 -1.21 -1.07 0.00 0.00 179.97 178.35 1r2b s GLU 41 N -4.43 4.67 0.16 0.04 2.02 -1.17 -5.08 118.70 114.92 1r2b s GLU 41 Ca -0.03 1.58 0.11 0.00 0.02 0.00 0.00 54.97 56.65 1r2b s GLU 41 Cb 0.15 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 1r2b s GLU 41 CO 0.70 0.31 -0.24 -0.65 0.02 0.00 0.00 175.26 175.40 1r2b s GLN 42 N -1.53 1.53 -0.04 1.61 -0.21 -1.26 -0.62 119.66 119.14 1r2b s GLN 42 Ca 0.45 -1.40 -0.01 0.00 0.02 0.00 0.00 55.36 54.42 1r2b s GLN 42 Cb -0.27 -1.92 0.03 0.00 1.00 0.00 0.00 33.01 31.86 1r2b s GLN 42 CO 0.34 0.43 0.05 -0.06 -2.12 0.00 0.00 175.29 173.92 1r2b s PHE 43 N -1.38 0.09 0.08 0.91 0.40 0.11 -4.96 117.98 113.23 1r2b s PHE 43 Ca 0.18 0.19 -0.20 0.00 -0.60 0.00 0.00 56.93 56.50 1r2b s PHE 43 Cb -0.09 -0.43 -0.07 0.00 0.51 0.00 0.00 43.02 42.95 1r2b s PHE 43 CO 0.09 -0.17 0.59 1.03 0.70 0.00 0.00 175.22 177.46 1r2b s ARG 44 N 1.81 4.25 0.37 0.44 0.52 -1.26 -0.26 118.95 124.82 1r2b s ARG 44 Ca 0.00 0.78 -0.14 0.00 -0.52 0.00 0.00 55.73 55.86 1r2b s ARG 44 Cb -0.12 -3.25 0.05 0.00 0.52 0.00 0.00 34.95 32.14 1r2b s ARG 44 CO -0.03 0.61 0.74 0.00 0.02 0.00 0.00 175.30 176.65 1r2b s ALA 45 N -1.04 -0.57 -0.21 2.13 0.00 -1.00 -4.98 121.76 116.08 1r2b s ALA 45 Ca 0.30 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 1r2b s ALA 45 Cb -0.20 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1r2b s ALA 45 CO 0.20 -0.96 0.08 -1.01 0.00 0.00 0.00 175.76 174.06 1r2b s HIS 46 N -2.50 3.20 0.25 0.00 3.76 -1.26 -2.11 115.29 116.64 1r2b s HIS 46 Ca 0.17 -0.04 -0.03 0.00 -0.15 0.00 0.00 55.06 55.01 1r2b s HIS 46 Cb -0.05 -2.15 0.46 0.00 1.11 0.00 0.00 32.58 31.95 1r2b s HIS 46 CO 0.12 -0.01 1.77 0.87 -0.85 0.00 0.00 174.74 176.64 1r2b h LYS 47 N 7.27 0.61 -0.81 1.40 1.57 -1.93 -1.73 116.57 122.96 1r2b h LYS 47 Ca -0.37 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.39 1r2b h LYS 47 Cb 1.17 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 1r2b h LYS 47 CO 0.65 0.40 0.54 1.79 -0.57 0.00 0.00 179.45 182.26 1r2b h THR 48 N 0.63 1.19 -0.21 -0.16 1.35 -1.98 0.30 112.91 114.02 1r2b h THR 48 Ca 0.42 -0.37 -0.07 0.00 -0.55 0.00 0.00 66.41 65.84 1r2b h THR 48 Cb 0.54 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.97 1r2b h THR 48 CO -0.33 0.20 -0.14 0.58 -0.25 0.00 0.00 175.52 175.58 1r2b h VAL 49 N 1.07 1.32 -0.88 6.82 2.07 -1.76 -0.27 116.25 124.62 1r2b h VAL 49 Ca 0.30 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 1r2b h VAL 49 Cb -0.08 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1r2b h VAL 49 CO -0.07 0.38 0.55 -0.07 0.02 0.00 0.00 177.57 178.38 1r2b h LEU 50 N 0.15 1.04 -0.66 2.57 3.38 -0.85 -2.26 115.31 118.68 1r2b h LEU 50 Ca 0.04 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1r2b h LEU 50 Cb 0.65 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1r2b h LEU 50 CO 0.04 0.79 0.14 0.24 0.09 0.00 0.00 178.44 179.74 1r2b h MET 51 N 1.21 1.07 -0.80 1.13 2.86 -0.22 0.12 114.93 120.30 1r2b h MET 51 Ca 0.32 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1r2b h MET 51 Cb -0.08 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.40 1r2b h MET 51 CO -0.06 0.97 0.46 0.00 1.06 0.00 0.00 176.91 179.33 1r2b h ALA 52 N 1.06 1.30 0.00 6.32 0.00 -0.50 -3.26 119.26 124.17 1r2b h ALA 52 Ca 0.21 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1r2b h ALA 52 Cb 0.39 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1r2b h ALA 52 CO 0.01 0.59 -1.80 0.00 0.00 0.00 0.00 179.25 178.04 1r2b s SER 54 N -5.57 2.44 0.15 0.00 0.15 0.41 -4.78 113.70 106.49 1r2b s SER 54 Ca -0.06 -0.43 -0.15 0.00 0.70 0.00 0.00 55.95 56.01 1r2b s SER 54 Cb 0.09 -1.10 0.02 0.00 -1.71 0.00 0.00 66.02 63.32 1r2b s SER 54 CO 0.83 0.10 1.73 1.23 1.20 0.00 0.00 173.24 178.33 1r2b h GLY 55 N 6.81 0.72 0.11 9.45 0.00 -1.52 0.23 103.07 118.87 1r2b h GLY 55 Ca -0.25 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1r2b h GLY 55 CO 0.47 0.34 -0.36 -2.00 0.00 0.00 0.00 176.54 175.00 1r2b h LEU 56 N 0.60 -1.07 -1.64 3.11 5.85 -1.81 0.21 115.31 120.57 1r2b h LEU 56 Ca 0.16 0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.09 1r2b h LEU 56 Cb 0.13 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1r2b h LEU 56 CO -0.02 -0.39 0.40 -0.26 -0.34 0.00 0.00 178.44 177.83 1r2b h PHE 57 N -0.53 0.43 -0.12 1.25 0.05 -1.78 0.10 116.94 116.33 1r2b h PHE 57 Ca -0.01 0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.80 1r2b h PHE 57 Cb 0.52 -0.14 -0.01 0.00 2.00 0.00 0.00 35.95 38.32 1r2b h PHE 57 CO -0.38 0.20 0.05 -0.92 -0.18 0.00 0.00 178.31 177.09 1r2b h TYR 58 N 0.40 0.10 -0.67 -0.55 3.20 0.93 -1.63 116.97 118.75 1r2b h TYR 58 Ca 0.27 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 1r2b h TYR 58 Cb 0.54 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1r2b h TYR 58 CO -0.00 0.05 0.16 0.77 -1.64 0.00 0.00 178.16 177.51 1r2b h SER 59 N 0.12 1.02 0.46 -2.11 0.02 0.12 -2.23 113.55 110.94 1r2b h SER 59 Ca 0.05 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1r2b h SER 59 Cb 0.02 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1r2b h SER 59 CO -0.04 0.99 -0.22 0.40 -1.14 0.00 0.00 176.83 176.82 1r2b h ILE 60 N 1.00 0.55 0.00 3.27 2.04 -0.67 -0.94 117.51 122.76 1r2b h ILE 60 Ca 0.21 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1r2b h ILE 60 Cb 0.37 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1r2b h ILE 60 CO 0.00 0.02 0.00 0.49 0.00 0.00 0.00 178.15 178.66 1r2b n PHE 61 N -5.33 0.00 0.01 1.37 3.01 -0.63 -1.94 117.46 113.94 1r2b n PHE 61 Ca -0.11 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.46 1r2b n PHE 61 Cb 0.27 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.59 1r2b n PHE 61 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1r2b n THR 62 N -0.82 0.09 -2.34 4.37 5.66 -0.84 -4.75 114.28 115.65 1r2b n THR 62 Ca 0.15 -0.51 -0.43 0.00 -3.05 0.00 0.00 64.05 60.22 1r2b n THR 62 Cb 0.07 -0.05 -0.02 0.00 -1.55 0.00 0.00 70.33 68.78 1r2b n THR 62 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1r2b s ASP 63 N -4.64 6.28 0.52 1.09 -1.08 -0.40 -4.89 116.67 113.56 1r2b s ASP 63 Ca -0.07 0.77 0.39 0.00 -0.52 0.00 0.00 52.55 53.12 1r2b s ASP 63 Cb 0.13 -2.54 1.57 0.00 -1.46 0.00 0.00 42.92 40.62 1r2b s ASP 63 CO 0.89 -1.49 1.70 0.06 0.52 0.00 0.00 175.17 176.85 1r2b h GLN 64 N 10.88 0.04 0.00 4.34 3.07 -1.88 0.85 115.11 132.41 1r2b h GLN 64 Ca -0.28 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.46 1r2b h GLN 64 Cb 1.11 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1r2b h GLN 64 CO 1.10 0.03 0.00 -0.11 0.09 0.00 0.00 178.83 179.93 1r2b n LEU 65 N -4.20 0.54 -1.05 0.06 7.94 -1.26 -3.86 117.00 115.17 1r2b n LEU 65 Ca 0.34 0.53 -0.00 0.00 -1.11 0.00 0.00 56.01 55.77 1r2b n LEU 65 Cb 1.51 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 45.10 1r2b n LEU 65 CO 0.38 -0.37 0.55 2.29 -1.11 0.00 0.00 177.39 179.13 1r2b n LYS 66 N -1.60 1.01 0.05 1.96 2.85 -1.02 -3.87 118.16 117.54 1r2b n LYS 66 Ca 0.00 -0.02 -0.18 0.00 -1.05 0.00 0.00 58.31 57.06 1r2b n LYS 66 Cb 0.00 -1.01 -0.14 0.00 -0.65 0.00 0.00 35.03 33.23 1r2b n LYS 66 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1r2b h ARG 67 N 0.09 0.27 -0.03 -1.58 2.43 -0.94 -3.38 114.38 111.24 1r2b h ARG 67 Ca 0.00 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1r2b h ARG 67 Cb 1.01 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1r2b h ARG 67 CO 0.01 1.13 -0.01 0.09 -1.51 0.00 0.00 179.97 179.68 1r2b n ASN 68 N -3.46 2.74 -4.74 -3.80 3.02 -1.25 -4.86 115.26 102.91 1r2b n ASN 68 Ca -0.20 -1.87 -0.37 0.00 -0.03 0.00 0.00 54.58 52.11 1r2b n ASN 68 Cb 1.05 0.01 0.06 0.00 -0.61 0.00 0.00 39.78 40.29 1r2b n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r2b s LEU 69 N -1.76 3.64 -0.08 3.41 1.43 -1.26 -4.90 118.68 119.17 1r2b s LEU 69 Ca 0.24 2.66 0.16 0.00 -1.03 0.00 0.00 54.13 56.17 1r2b s LEU 69 Cb 0.18 -4.54 0.56 0.00 0.03 0.00 0.00 46.19 42.42 1r2b s LEU 69 CO 0.27 -1.90 1.48 -1.54 0.23 0.00 0.00 176.35 174.88 1r2b n SER 70 N -1.69 3.99 -3.69 2.29 3.41 -1.26 -4.88 113.62 111.78 1r2b n SER 70 Ca 0.15 -2.35 -0.10 0.00 -0.26 0.00 0.00 58.87 56.30 1r2b n SER 70 Cb 0.47 -0.46 -0.11 0.00 -0.26 0.00 0.00 64.21 63.86 1r2b n SER 70 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1r2b s VAL 71 N -1.64 -0.02 -0.04 -3.33 1.01 -1.26 -1.63 120.40 113.48 1r2b s VAL 71 Ca 0.41 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1r2b s VAL 71 Cb 0.26 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1r2b s VAL 71 CO 0.21 0.04 -0.12 -0.63 0.00 0.00 0.00 175.10 174.59 1r2b s ILE 72 N 1.36 1.04 -0.09 2.22 -1.09 -0.24 -4.94 121.20 119.46 1r2b s ILE 72 Ca -0.09 -0.49 -0.00 0.00 -2.23 0.00 0.00 60.65 57.84 1r2b s ILE 72 Cb -0.08 -0.92 -0.03 0.00 -1.58 0.00 0.00 42.46 39.86 1r2b s ILE 72 CO -0.12 0.31 -0.08 0.20 -1.23 0.00 0.00 174.94 174.02 1r2b s ASN 73 N 0.20 4.54 0.31 3.58 0.01 -1.26 -0.38 114.94 121.93 1r2b s ASN 73 Ca -0.05 -0.10 0.08 0.00 -0.71 0.00 0.00 52.86 52.08 1r2b s ASN 73 Cb -0.10 -1.33 -0.03 0.00 0.41 0.00 0.00 41.25 40.19 1r2b s ASN 73 CO 0.01 0.29 0.20 -0.76 -1.51 0.00 0.00 177.10 175.34 1r2b s LEU 74 N -0.39 3.55 0.12 0.60 1.43 -0.77 -4.97 118.68 118.24 1r2b s LEU 74 Ca 0.05 -0.50 -0.35 0.00 -1.03 0.00 0.00 54.13 52.30 1r2b s LEU 74 Cb -0.12 -2.10 -0.17 0.00 0.03 0.00 0.00 46.19 43.83 1r2b s LEU 74 CO 0.02 -0.22 1.23 -0.67 0.23 0.00 0.00 176.35 176.94 1r2b n ASP 75 N -1.22 1.35 0.08 2.29 -0.08 -1.26 -4.68 116.55 113.02 1r2b n ASP 75 Ca -0.04 1.13 0.06 0.00 -1.51 0.00 0.00 54.79 54.43 1r2b n ASP 75 Cb 0.59 -1.18 0.32 0.00 2.34 0.00 0.00 41.12 43.19 1r2b n ASP 75 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1r2b n PRO 76 N 2.10 0.08 0.00 -0.67 -0.04 -1.26 -1.47 135.00 133.73 1r2b n PRO 76 Ca 0.17 0.51 0.14 0.00 -0.04 0.00 0.00 63.50 64.28 1r2b n PRO 76 Cb 0.21 -1.72 0.59 0.00 -0.04 0.00 0.00 33.50 32.54 1r2b n PRO 76 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1r2b n GLU 77 N -1.87 0.85 -2.45 0.54 -0.58 -1.26 -4.71 120.64 111.16 1r2b n GLU 77 Ca 0.00 -0.35 -0.42 0.00 -0.42 0.00 0.00 57.16 55.98 1r2b n GLU 77 Cb 0.06 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 1r2b n GLU 77 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1r2b s ILE 78 N -2.39 3.83 0.01 -3.67 -1.09 -0.54 -4.98 121.20 112.38 1r2b s ILE 78 Ca 0.31 0.69 -0.30 0.00 -2.23 0.00 0.00 60.65 59.12 1r2b s ILE 78 Cb 0.20 -4.55 -0.06 0.00 -1.58 0.00 0.00 42.46 36.47 1r2b s ILE 78 CO 0.46 -1.28 1.39 0.54 -1.23 0.00 0.00 174.94 174.82 1r2b s ASN 79 N 4.05 6.86 0.33 3.58 4.22 -1.26 -4.69 114.94 128.02 1r2b s ASN 79 Ca 0.48 2.13 0.13 0.00 -2.14 0.00 0.00 52.86 53.46 1r2b s ASN 79 Cb -0.10 -2.56 1.02 0.00 1.28 0.00 0.00 41.25 40.89 1r2b s ASN 79 CO 0.24 -0.70 1.67 -0.65 -2.04 0.00 0.00 177.10 175.62 1r2b h PRO 80 N 7.70 0.36 -0.02 3.55 0.11 -1.94 -1.85 132.00 139.91 1r2b h PRO 80 Ca -0.38 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1r2b h PRO 80 Cb 1.18 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1r2b h PRO 80 CO 0.90 0.24 0.01 1.49 -0.21 0.00 0.00 178.00 180.42 1r2b h GLU 81 N 0.37 0.03 -0.83 1.05 4.81 -1.97 0.25 114.58 118.28 1r2b h GLU 81 Ca 0.70 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 60.00 1r2b h GLU 81 Cb 1.54 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.85 1r2b h GLU 81 CO -0.58 0.22 0.50 0.78 -0.73 0.00 0.00 179.01 179.19 1r2b h GLY 82 N -0.17 1.27 0.86 1.92 0.00 -1.72 -1.05 103.07 104.19 1r2b h GLY 82 Ca 0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1r2b h GLY 82 CO -0.00 0.20 -0.08 -2.75 0.00 0.00 0.00 176.54 173.90 1r2b h PHE 83 N 0.87 0.59 -0.78 5.60 3.57 -1.16 -2.99 116.94 122.64 1r2b h PHE 83 Ca 0.38 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1r2b h PHE 83 Cb 0.26 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1r2b h PHE 83 CO -0.05 0.75 0.49 -0.97 -2.23 0.00 0.00 178.31 176.30 1r2b h ASN 84 N 0.27 0.91 -0.80 0.41 -0.73 -0.03 0.91 115.58 116.52 1r2b h ASN 84 Ca 0.06 -0.04 -0.04 0.00 1.87 0.00 0.00 56.30 58.15 1r2b h ASN 84 Cb 0.57 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.89 1r2b h ASN 84 CO 0.03 0.68 0.33 0.40 -0.37 0.00 0.00 177.43 178.51 1r2b h ILE 85 N 1.06 1.26 -0.10 2.57 2.04 -1.18 -0.71 117.51 122.46 1r2b h ILE 85 Ca 0.28 -0.80 -0.18 0.00 1.00 0.00 0.00 64.86 65.16 1r2b h ILE 85 Cb -0.08 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1r2b h ILE 85 CO -0.06 0.33 -0.69 -0.07 0.00 0.00 0.00 178.15 177.66 1r2b h LEU 86 N 1.16 0.51 -0.50 1.44 3.38 -1.26 -1.87 115.31 118.18 1r2b h LEU 86 Ca 0.27 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1r2b h LEU 86 Cb 0.20 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1r2b h LEU 86 CO -0.02 1.05 -0.02 0.25 0.09 0.00 0.00 178.44 179.79 1r2b h LEU 87 N 0.31 0.88 0.29 1.67 5.85 -0.52 -1.13 115.31 122.66 1r2b h LEU 87 Ca -0.02 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1r2b h LEU 87 Cb 1.26 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1r2b h LEU 87 CO 0.12 0.98 -0.14 0.44 -0.34 0.00 0.00 178.44 179.50 1r2b h ASP 88 N 0.76 -0.33 -0.76 1.25 3.32 -1.11 -2.56 116.42 116.98 1r2b h ASP 88 Ca 0.14 -0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.35 1r2b h ASP 88 Cb 0.54 0.08 -0.13 0.00 0.22 0.00 0.00 39.33 40.05 1r2b h ASP 88 CO 0.03 -0.20 0.09 0.15 -1.72 0.00 0.00 179.24 177.59 1r2b h PHE 89 N -0.43 0.10 -0.54 4.55 3.57 -1.20 -0.64 116.94 122.35 1r2b h PHE 89 Ca -0.04 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.61 1r2b h PHE 89 Cb 0.33 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 1r2b h PHE 89 CO -0.05 -0.19 0.10 0.52 -2.23 0.00 0.00 178.31 176.46 1r2b h MET 90 N 0.16 0.23 -0.01 1.11 2.86 -0.80 0.25 114.93 118.73 1r2b h MET 90 Ca 0.43 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 1r2b h MET 90 Cb 0.78 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1r2b h MET 90 CO -0.62 0.15 -0.13 0.66 1.06 0.00 0.00 176.91 178.04 1r2b n TYR 91 N -5.13 0.00 0.00 -0.22 4.02 -0.44 -4.45 117.16 110.95 1r2b n TYR 91 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1r2b n TYR 91 Cb 0.27 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1r2b n TYR 91 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1r2b n THR 92 N -0.46 0.00 -0.65 -0.72 -2.24 -0.38 -4.57 114.28 105.26 1r2b n THR 92 Ca 0.15 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1r2b n THR 92 Cb 0.32 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1r2b n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1r2b n SER 93 N -0.26 0.00 -4.54 3.42 7.64 0.85 -4.99 113.62 115.74 1r2b n SER 93 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1r2b n SER 93 Cb 0.00 -0.46 -0.12 0.00 -1.01 0.00 0.00 64.21 62.62 1r2b n SER 93 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1r2b s ARG 94 N -0.15 3.18 -0.24 1.43 0.52 -1.25 -5.03 118.95 117.41 1r2b s ARG 94 Ca 0.00 -0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.67 1r2b s ARG 94 Cb 0.00 -2.74 0.03 0.00 0.52 0.00 0.00 34.95 32.76 1r2b s ARG 94 CO 0.00 0.47 -0.08 -1.17 0.02 0.00 0.00 175.30 174.54 1r2b s LEU 95 N -0.27 3.10 -0.30 2.53 2.96 -1.26 -3.15 118.68 122.29 1r2b s LEU 95 Ca 0.04 -0.89 -0.18 0.00 -0.22 0.00 0.00 54.13 52.88 1r2b s LEU 95 Cb -0.13 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1r2b s LEU 95 CO 0.02 -0.12 0.53 0.20 -1.32 0.00 0.00 176.35 175.67 1r2b s ASN 96 N 1.30 6.39 -0.05 3.68 0.02 -1.26 -5.06 114.94 119.97 1r2b s ASN 96 Ca -0.00 0.30 0.05 0.00 -1.02 0.00 0.00 52.86 52.19 1r2b s ASN 96 Cb -0.16 -2.28 -0.01 0.00 0.02 0.00 0.00 41.25 38.82 1r2b s ASN 96 CO -0.05 -0.39 -0.19 -0.76 0.02 0.00 0.00 177.10 175.73 1r2b s LEU 97 N 2.39 1.96 0.06 0.60 1.43 -1.26 -4.97 118.68 118.89 1r2b s LEU 97 Ca 0.21 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1r2b s LEU 97 Cb -0.15 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1r2b s LEU 97 CO 0.11 0.18 -0.12 -0.13 0.23 0.00 0.00 176.35 176.63 1r2b s ARG 98 N -0.04 2.22 0.61 1.70 0.52 -1.26 -4.99 118.95 117.71 1r2b s ARG 98 Ca -0.03 -0.93 0.26 0.00 -0.52 0.00 0.00 55.73 54.51 1r2b s ARG 98 Cb -0.12 -2.32 1.41 0.00 0.52 0.00 0.00 34.95 34.44 1r2b s ARG 98 CO 0.02 0.54 1.78 1.49 0.02 0.00 0.00 175.30 179.16 1r2b h GLU 99 N 4.15 0.00 0.00 3.54 4.81 -2.02 -0.59 114.58 124.47 1r2b h GLU 99 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1r2b h GLU 99 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1r2b h GLU 99 CO 0.51 0.00 -1.23 0.41 -0.73 0.00 0.00 179.01 177.97 1r2b n GLY 100 N -1.24 -1.15 0.20 1.92 0.00 -1.26 -4.43 105.19 99.23 1r2b n GLY 100 Ca -0.02 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.58 1r2b n GLY 100 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r2b n ASN 101 N -2.00 1.50 0.40 1.61 0.23 -0.27 -4.76 115.26 111.96 1r2b n ASN 101 Ca 0.01 -1.28 -0.19 0.00 -0.53 0.00 0.00 54.58 52.59 1r2b n ASN 101 Cb 0.46 -0.01 -0.09 0.00 -2.08 0.00 0.00 39.78 38.05 1r2b n ASN 101 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1r2b h ILE 102 N 0.93 0.12 -0.88 1.53 -0.00 -1.65 -0.40 117.51 117.16 1r2b h ILE 102 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 64.86 65.04 1r2b h ILE 102 Cb 0.24 0.12 -0.11 0.00 -0.00 0.00 0.00 36.82 37.07 1r2b h ILE 102 CO 0.00 0.00 0.44 0.24 -0.00 0.00 0.00 178.15 178.83 1r2b h MET 103 N -1.08 0.54 -0.76 2.19 2.86 -1.88 0.33 114.93 117.12 1r2b h MET 103 Ca -0.09 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1r2b h MET 103 Cb 0.87 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 1r2b h MET 103 CO 0.10 0.36 0.50 0.00 1.06 0.00 0.00 176.91 178.92 1r2b h ALA 104 N 1.62 0.98 -0.19 6.32 0.00 -1.77 -1.14 119.26 125.08 1r2b h ALA 104 Ca 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1r2b h ALA 104 Cb 0.82 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1r2b h ALA 104 CO -0.42 0.35 0.12 0.28 0.00 0.00 0.00 179.25 179.58 1r2b h VAL 105 N 1.01 1.06 -0.23 0.00 2.07 0.13 0.11 116.25 120.40 1r2b h VAL 105 Ca 0.29 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.70 1r2b h VAL 105 Cb -0.08 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1r2b h VAL 105 CO -0.08 0.06 0.11 0.24 0.02 0.00 0.00 177.57 177.92 1r2b h MET 106 N 0.24 0.23 -0.48 1.57 2.86 -0.92 0.21 114.93 118.65 1r2b h MET 106 Ca 0.07 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 1r2b h MET 106 Cb -0.01 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.54 1r2b h MET 106 CO -0.01 0.15 0.15 0.00 1.06 0.00 0.00 176.91 178.26 1r2b h ALA 107 N 1.12 0.57 -0.42 6.32 0.00 -0.90 -0.48 119.26 125.47 1r2b h ALA 107 Ca 0.10 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1r2b h ALA 107 Cb 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1r2b h ALA 107 CO -0.07 -0.24 0.06 1.15 0.00 0.00 0.00 179.25 180.14 1r2b h THR 108 N 0.32 1.25 -0.65 0.00 2.02 -0.00 -2.83 112.91 113.00 1r2b h THR 108 Ca 0.23 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 1r2b h THR 108 Cb 0.25 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1r2b h THR 108 CO -0.25 0.31 0.29 0.00 0.37 0.00 0.00 175.52 176.24 1r2b h ALA 109 N 0.93 1.29 -0.65 6.16 0.00 -0.22 -1.35 119.26 125.42 1r2b h ALA 109 Ca 0.13 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1r2b h ALA 109 Cb 0.39 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1r2b h ALA 109 CO 0.01 0.54 0.33 0.52 0.00 0.00 0.00 179.25 180.65 1r2b h MET 110 N 0.93 0.58 -0.40 0.00 2.86 -0.90 0.15 114.93 118.14 1r2b h MET 110 Ca 0.22 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1r2b h MET 110 Cb 0.13 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1r2b h MET 110 CO -0.03 0.38 0.23 -0.92 1.06 0.00 0.00 176.91 177.64 1r2b h TYR 111 N 0.60 0.54 0.00 -0.22 3.20 -1.07 -2.22 116.97 117.79 1r2b h TYR 111 Ca 0.30 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1r2b h TYR 111 Cb 0.25 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1r2b h TYR 111 CO -0.10 0.39 0.00 1.28 -1.64 0.00 0.00 178.16 178.09 1r2b n LEU 112 N -4.75 0.00 -2.80 2.82 4.77 -0.60 -4.79 117.00 111.64 1r2b n LEU 112 Ca 0.00 0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1r2b n LEU 112 Cb 0.06 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1r2b n LEU 112 CO 0.35 -0.02 0.05 0.00 -1.33 0.00 0.00 177.39 176.44 1r2b n GLN 113 N -1.14 -3.16 -3.48 3.23 6.02 0.34 -2.94 117.38 116.25 1r2b n GLN 113 Ca 0.16 0.64 -0.27 0.00 -0.01 0.00 0.00 57.00 57.52 1r2b n GLN 113 Cb 0.15 -4.85 -0.09 0.00 1.02 0.00 0.00 30.24 26.47 1r2b n GLN 113 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1r2b n MET 114 N -3.03 2.37 -0.18 -1.09 2.81 -0.22 -3.30 117.12 114.47 1r2b n MET 114 Ca -0.13 -4.60 -0.05 0.00 -1.81 0.00 0.00 57.70 51.11 1r2b n MET 114 Cb 0.61 -2.23 0.05 0.00 -0.71 0.00 0.00 33.22 30.93 1r2b n MET 114 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1r2b h GLU 115 N 4.35 0.61 -0.68 0.03 3.07 -1.93 -2.20 114.58 117.82 1r2b h GLU 115 Ca 0.19 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1r2b h GLU 115 Cb 0.68 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 1r2b h GLU 115 CO 0.81 0.40 0.42 0.45 -1.40 0.00 0.00 179.01 179.69 1r2b h HIS 116 N 0.63 0.89 -0.69 4.33 3.86 -1.99 0.10 115.15 122.29 1r2b h HIS 116 Ca 0.22 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.37 1r2b h HIS 116 Cb 0.04 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.19 1r2b h HIS 116 CO -0.07 0.59 0.16 0.28 0.86 0.00 0.00 177.93 179.76 1r2b h VAL 117 N 0.92 1.26 -0.44 2.45 2.07 -1.94 0.10 116.25 120.67 1r2b h VAL 117 Ca 0.24 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1r2b h VAL 117 Cb -0.04 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1r2b h VAL 117 CO -0.05 0.37 0.17 0.58 0.02 0.00 0.00 177.57 178.66 1r2b h VAL 118 N 1.04 1.21 -0.37 2.57 2.07 -0.87 -1.57 116.25 120.32 1r2b h VAL 118 Ca 0.22 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1r2b h VAL 118 Cb 0.36 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1r2b h VAL 118 CO 0.00 0.24 -0.04 -0.78 0.02 0.00 0.00 177.57 177.01 1r2b h ASP 119 N 0.57 0.58 -0.56 0.57 3.58 -0.46 -1.12 116.42 119.58 1r2b h ASP 119 Ca 0.15 -0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 1r2b h ASP 119 Cb 0.20 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1r2b h ASP 119 CO -0.01 0.68 -0.09 0.74 -2.88 0.00 0.00 179.24 177.68 1r2b h THR 120 N 0.57 1.27 -0.57 2.25 2.02 -0.68 -1.16 112.91 116.61 1r2b h THR 120 Ca 0.11 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 1r2b h THR 120 Cb 0.42 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1r2b h THR 120 CO 0.02 0.44 0.21 0.00 0.37 0.00 0.00 175.52 176.56 1r2b h ARG 122 N 0.79 -0.16 -0.59 0.00 2.43 -0.88 0.74 114.38 116.71 1r2b h ARG 122 Ca 0.19 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.50 1r2b h ARG 122 Cb 0.23 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1r2b h ARG 122 CO -0.01 -0.11 0.41 -0.22 -1.51 0.00 0.00 179.97 178.53 1r2b h LYS 123 N -0.17 0.23 0.15 0.20 3.64 -0.86 -1.87 116.57 117.90 1r2b h LYS 123 Ca 0.06 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1r2b h LYS 123 Cb 0.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1r2b h LYS 123 CO -0.16 0.15 -0.07 0.35 -2.27 0.00 0.00 179.45 177.45 1r2b h PHE 124 N 0.24 -0.18 -0.35 1.91 3.57 0.96 -3.13 116.94 119.96 1r2b h PHE 124 Ca 0.28 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.83 1r2b h PHE 124 Cb 0.79 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1r2b h PHE 124 CO -0.00 0.13 0.23 0.82 -2.23 0.00 0.00 178.31 177.27 1r2b h ILE 125 N -0.51 0.97 0.00 1.41 2.04 -0.33 -0.14 117.51 120.95 1r2b h ILE 125 Ca -0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1r2b h ILE 125 Cb 0.40 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1r2b h ILE 125 CO 0.03 0.05 0.00 0.29 0.00 0.00 0.00 178.15 178.52 1r2b n LYS 126 N -4.48 0.10 -0.06 2.37 5.02 -0.96 -2.90 118.16 117.25 1r2b n LYS 126 Ca 0.04 0.49 -0.13 0.00 -2.02 0.00 0.00 58.31 56.69 1r2b n LYS 126 Cb 0.23 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.44 1r2b n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r2b n ALA 127 N -1.66 2.09 1.14 7.82 0.00 -0.57 -5.13 120.51 124.20 1r2b n ALA 127 Ca 0.01 -0.50 0.13 0.00 0.00 0.00 0.00 53.44 53.07 1r2b n ALA 127 Cb 0.10 0.31 0.22 0.00 0.00 0.00 0.00 19.45 20.08 1r2b n ALA 127 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93