#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irp n ARG 2 N 0.00 0.00 -1.22 3.17 0.63 -1.26 -4.78 116.66 113.20 1irp n ARG 2 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 1irp n ARG 2 Cb 0.00 -1.22 -0.02 0.00 0.45 0.00 0.00 32.46 31.67 1irp n ARG 2 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1irp n PRO 3 N 6.76 2.98 0.00 -0.14 -0.04 -1.20 -4.94 135.00 138.42 1irp n PRO 3 Ca 0.52 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1irp n PRO 3 Cb 0.01 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 1irp n PRO 3 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1irp n SER 4 N 4.47 0.00 0.00 3.54 3.41 -1.26 -4.74 113.62 119.03 1irp n SER 4 Ca 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1irp n SER 4 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1irp n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1irp n GLY 5 N 0.00 2.15 0.00 5.00 0.00 -1.26 -4.46 105.19 106.62 1irp n GLY 5 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1irp n GLY 5 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1irp n ARG 6 N 8.54 0.00 -3.11 1.61 3.00 -1.26 -5.05 116.66 120.39 1irp n ARG 6 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.41 1irp n ARG 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1irp n ARG 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1irp n LYS 7 N -0.68 3.95 -0.44 -0.14 3.00 -1.26 -4.83 118.16 117.75 1irp n LYS 7 Ca 0.00 -4.41 0.00 0.00 -0.00 0.00 0.00 58.31 53.90 1irp n LYS 7 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 35.03 32.44 1irp n LYS 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1irp n SER 8 N 2.35 -0.99 -0.24 3.14 2.88 -1.26 -4.87 113.62 114.62 1irp n SER 8 Ca 0.27 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.76 1irp n SER 8 Cb 0.37 -1.99 0.10 0.00 -0.75 0.00 0.00 64.21 61.94 1irp n SER 8 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1irp h SER 9 N 0.00 1.01 -1.68 -3.46 0.87 -1.88 -3.38 113.55 105.04 1irp h SER 9 Ca 0.00 -0.17 -0.62 0.00 -1.23 0.00 0.00 61.79 59.76 1irp h SER 9 Cb 0.17 -0.26 -0.12 0.00 -0.44 0.00 0.00 62.40 61.74 1irp h SER 9 CO 0.00 0.93 1.21 -0.54 -0.53 0.00 0.00 176.83 177.90 1irp s LYS 10 N -5.43 3.54 -0.14 2.24 -0.14 -1.26 -4.93 119.74 113.61 1irp s LYS 10 Ca -0.12 -1.23 -0.07 0.00 -1.36 0.00 0.00 55.97 53.19 1irp s LYS 10 Cb 0.16 -5.07 0.06 0.00 -1.68 0.00 0.00 37.83 31.29 1irp s LYS 10 CO 0.83 -2.05 0.34 1.41 -0.76 0.00 0.00 175.35 175.12 1irp s MET 11 N 4.30 0.30 -0.59 1.68 1.75 -1.26 -3.26 119.30 122.22 1irp s MET 11 Ca 0.40 0.71 0.05 0.00 -1.25 0.00 0.00 55.69 55.60 1irp s MET 11 Cb -0.03 -0.04 0.20 0.00 2.84 0.00 0.00 34.83 37.80 1irp s MET 11 CO -0.07 -0.18 0.52 1.04 -0.65 0.00 0.00 175.02 175.69 1irp n GLN 12 N 4.41 1.50 -2.39 4.11 1.13 -1.26 -5.05 117.38 119.83 1irp n GLN 12 Ca -0.22 -4.09 -0.42 0.00 -1.94 0.00 0.00 57.00 50.33 1irp n GLN 12 Cb 0.54 -2.01 -0.03 0.00 0.11 0.00 0.00 30.24 28.84 1irp n GLN 12 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1irp s ALA 13 N -1.34 3.44 0.05 -1.58 0.00 -1.26 -2.03 121.76 119.05 1irp s ALA 13 Ca 0.31 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 1irp s ALA 13 Cb 0.05 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1irp s ALA 13 CO -0.13 -0.55 0.28 0.12 0.00 0.00 0.00 175.76 175.47 1irp s PHE 14 N 1.40 -0.06 0.03 0.00 5.36 0.32 -3.78 117.98 121.24 1irp s PHE 14 Ca 0.59 -0.12 -0.08 0.00 -0.96 0.00 0.00 56.93 56.36 1irp s PHE 14 Cb -0.29 0.07 -0.00 0.00 -0.34 0.00 0.00 43.02 42.45 1irp s PHE 14 CO 0.28 -0.50 0.16 1.03 -1.46 0.00 0.00 175.22 174.72 1irp s ARG 15 N -2.69 0.61 -0.02 10.12 0.52 -0.47 -1.34 118.95 125.68 1irp s ARG 15 Ca -0.04 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.60 1irp s ARG 15 Cb -0.00 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.72 1irp s ARG 15 CO -0.04 -0.16 -0.08 0.96 0.02 0.00 0.00 175.30 176.00 1irp s ILE 16 N -2.24 0.67 -0.08 1.52 -4.36 -1.26 -1.44 121.20 114.01 1irp s ILE 16 Ca -0.08 -0.30 -0.31 0.00 -0.26 0.00 0.00 60.65 59.70 1irp s ILE 16 Cb -0.03 -0.60 0.08 0.00 1.25 0.00 0.00 42.46 43.16 1irp s ILE 16 CO -0.02 0.21 0.72 -1.66 0.24 0.00 0.00 174.94 174.43 1irp s TRP 17 N 0.18 -0.63 0.17 1.37 1.48 -0.86 -1.71 118.94 118.95 1irp s TRP 17 Ca -0.02 1.11 0.05 0.00 -1.06 0.00 0.00 56.10 56.17 1irp s TRP 17 Cb -0.08 0.41 -0.04 0.00 -1.16 0.00 0.00 33.47 32.61 1irp s TRP 17 CO 0.00 -0.56 0.19 0.16 -4.06 0.00 0.00 176.95 172.68 1irp s ASP 18 N -1.10 5.79 0.65 -2.66 1.47 0.08 -0.36 116.67 120.53 1irp s ASP 18 Ca -0.09 -0.05 0.29 0.00 1.18 0.00 0.00 52.55 53.88 1irp s ASP 18 Cb -0.00 -1.59 1.57 0.00 -0.34 0.00 0.00 42.92 42.56 1irp s ASP 18 CO 0.08 0.05 1.91 0.58 0.68 0.00 0.00 175.17 178.47 1irp h VAL 19 N 1.83 0.10 0.00 2.11 2.07 -1.89 -2.09 116.25 118.38 1irp h VAL 19 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1irp h VAL 19 Cb 1.20 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1irp h VAL 19 CO 0.64 0.00 0.00 -3.20 0.02 0.00 0.00 177.57 175.03 1irp n ASN 20 N -3.10 1.70 -3.29 0.57 2.85 -1.26 -4.85 115.26 107.88 1irp n ASN 20 Ca 0.00 -1.78 -0.15 0.00 -0.11 0.00 0.00 54.58 52.54 1irp n ASN 20 Cb 0.45 -0.44 0.07 0.00 1.24 0.00 0.00 39.78 41.10 1irp n ASN 20 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1irp n GLN 21 N 0.28 -3.33 -3.72 1.20 1.13 -0.83 -5.04 117.38 107.08 1irp n GLN 21 Ca 0.00 0.86 -0.29 0.00 -1.94 0.00 0.00 57.00 55.63 1irp n GLN 21 Cb 0.32 -5.83 -0.16 0.00 0.11 0.00 0.00 30.24 24.69 1irp n GLN 21 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1irp s LYS 22 N -4.63 0.67 0.22 -1.09 1.02 -0.95 -4.80 119.74 110.19 1irp s LYS 22 Ca 0.34 -0.71 0.08 0.00 0.02 0.00 0.00 55.97 55.70 1irp s LYS 22 Cb -0.04 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1irp s LYS 22 CO 0.73 -0.81 0.04 0.95 -0.92 0.00 0.00 175.35 175.34 1irp s THR 23 N 1.77 3.81 -0.18 2.17 -4.23 -0.67 -0.75 115.64 117.57 1irp s THR 23 Ca 0.04 -1.57 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 1irp s THR 23 Cb -0.17 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.67 1irp s THR 23 CO -0.18 -0.25 -0.10 0.12 -0.54 0.00 0.00 174.62 173.67 1irp s PHE 24 N -2.02 2.88 -0.26 3.99 5.36 -0.69 -1.72 117.98 125.52 1irp s PHE 24 Ca 0.30 -0.92 -0.36 0.00 -0.96 0.00 0.00 56.93 54.98 1irp s PHE 24 Cb -0.08 -1.98 0.16 0.00 -0.34 0.00 0.00 43.02 40.78 1irp s PHE 24 CO 0.21 -0.45 1.32 1.52 -1.46 0.00 0.00 175.22 176.35 1irp s TYR 25 N 1.01 -0.06 0.34 10.12 -0.85 -1.25 -4.53 117.35 122.13 1irp s TYR 25 Ca -0.01 0.04 -0.08 0.00 -0.52 0.00 0.00 57.07 56.51 1irp s TYR 25 Cb -0.15 0.50 -0.06 0.00 0.38 0.00 0.00 41.96 42.64 1irp s TYR 25 CO -0.01 -0.08 0.65 -0.48 -1.52 0.00 0.00 175.55 174.10 1irp s LEU 26 N -1.95 3.97 -0.04 -3.49 2.34 -1.26 -1.59 118.68 116.65 1irp s LEU 26 Ca 0.11 0.91 -0.06 0.00 0.06 0.00 0.00 54.13 55.15 1irp s LEU 26 Cb -0.01 -3.75 -0.02 0.00 -0.56 0.00 0.00 46.19 41.84 1irp s LEU 26 CO -0.04 -0.28 -0.12 -1.14 -1.06 0.00 0.00 176.35 173.71 1irp n ARG 27 N -1.04 0.19 0.00 1.48 3.00 -1.20 -4.68 116.66 114.41 1irp n ARG 27 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1irp n ARG 27 Cb 0.54 -0.75 0.00 0.00 0.00 0.00 0.00 32.46 32.25 1irp n ARG 27 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1irp n ASN 28 N -3.42 0.00 -2.61 6.15 5.15 -1.26 -4.97 115.26 114.31 1irp n ASN 28 Ca -0.05 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.76 1irp n ASN 28 Cb 0.18 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.45 1irp n ASN 28 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1irp n ASN 29 N -0.22 2.85 -3.76 1.20 3.02 -1.26 -5.07 115.26 112.02 1irp n ASN 29 Ca 0.00 -3.16 -0.14 0.00 -0.03 0.00 0.00 54.58 51.25 1irp n ASN 29 Cb 0.00 -0.50 -0.15 0.00 -0.61 0.00 0.00 39.78 38.52 1irp n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1irp s GLN 30 N -3.28 0.06 -0.75 3.52 1.11 -1.26 -5.11 119.66 113.95 1irp s GLN 30 Ca 0.37 0.31 -0.25 0.00 0.01 0.00 0.00 55.36 55.80 1irp s GLN 30 Cb 0.43 -0.17 0.05 0.00 -1.01 0.00 0.00 33.01 32.31 1irp s GLN 30 CO -0.06 -0.15 1.18 -0.51 0.01 0.00 0.00 175.29 175.75 1irp s LEU 31 N 1.04 3.73 0.86 2.90 1.43 -1.26 -3.26 118.68 124.11 1irp s LEU 31 Ca -0.08 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.09 1irp s LEU 31 Cb -0.11 -2.50 0.16 0.00 0.03 0.00 0.00 46.19 43.77 1irp s LEU 31 CO -0.05 -1.63 1.19 -0.69 0.23 0.00 0.00 176.35 175.41 1irp s VAL 32 N 4.91 2.06 -0.28 -1.59 1.01 -0.62 -2.00 120.40 123.89 1irp s VAL 32 Ca 0.31 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 1irp s VAL 32 Cb -0.10 -2.87 0.09 0.00 0.00 0.00 0.00 36.38 33.50 1irp s VAL 32 CO 0.10 0.00 0.80 0.00 0.00 0.00 0.00 175.10 176.00 1irp s ALA 33 N -3.60 -1.88 0.00 5.51 0.00 0.20 -3.77 121.76 118.22 1irp s ALA 33 Ca 0.70 2.09 0.00 0.00 0.00 0.00 0.00 51.96 54.75 1irp s ALA 33 Cb -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1irp s ALA 33 CO 0.50 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1irp n GLY 34 N 2.99 2.11 1.84 0.00 0.00 -0.70 -3.66 105.19 107.77 1irp n GLY 34 Ca -0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1irp n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1irp n TYR 35 N 0.00 -0.90 0.00 1.61 4.01 -1.23 -1.67 117.16 118.99 1irp n TYR 35 Ca 0.00 -1.34 0.00 0.00 -0.16 0.00 0.00 57.90 56.40 1irp n TYR 35 Cb 0.00 0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1irp n TYR 35 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1irp n LEU 36 N 0.00 0.00 -3.63 7.72 4.77 -1.26 -3.87 117.00 120.73 1irp n LEU 36 Ca 0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 1irp n LEU 36 Cb 0.32 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1irp n LEU 36 CO 0.16 0.00 0.34 0.00 -1.33 0.00 0.00 177.39 176.56 1irp s GLN 37 N 0.00 0.61 0.00 3.23 -2.07 -1.26 -4.33 119.66 115.83 1irp s GLN 37 Ca 0.00 1.28 0.00 0.00 -1.82 0.00 0.00 55.36 54.82 1irp s GLN 37 Cb 0.00 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.43 1irp s GLN 37 CO 0.00 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.21 1irp n GLY 38 N 4.87 -2.10 3.54 2.60 0.00 -1.26 -4.86 105.19 107.99 1irp n GLY 38 Ca -0.15 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 1irp n GLY 38 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1irp n PRO 39 N 0.30 0.58 -2.85 1.61 -0.02 -1.26 -4.59 135.00 128.77 1irp n PRO 39 Ca 0.00 -1.84 -0.11 0.00 -2.02 0.00 0.00 63.50 59.52 1irp n PRO 39 Cb 0.00 -3.66 0.04 0.00 -0.02 0.00 0.00 33.50 29.86 1irp n PRO 39 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1irp n ASN 40 N 16.47 -2.02 -4.72 2.55 4.13 -1.26 -5.15 115.26 125.26 1irp n ASN 40 Ca 0.43 -3.29 -0.42 0.00 1.68 0.00 0.00 54.58 52.98 1irp n ASN 40 Cb 0.46 1.30 -0.03 0.00 -1.54 0.00 0.00 39.78 39.97 1irp n ASN 40 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1irp s VAL 41 N 0.07 4.20 -0.49 2.41 0.11 -1.26 -4.99 120.40 120.44 1irp s VAL 41 Ca 0.31 1.69 0.04 0.00 -2.93 0.00 0.00 61.98 61.09 1irp s VAL 41 Cb 0.24 -4.08 0.41 0.00 -1.53 0.00 0.00 36.38 31.42 1irp s VAL 41 CO -0.17 0.19 1.18 -0.46 -3.33 0.00 0.00 175.10 172.51 1irp n ASN 42 N 3.32 4.95 0.00 3.54 2.04 -1.26 -4.95 115.26 122.90 1irp n ASN 42 Ca 0.06 -3.73 0.00 0.00 -0.44 0.00 0.00 54.58 50.47 1irp n ASN 42 Cb 0.48 -0.53 0.00 0.00 -2.53 0.00 0.00 39.78 37.20 1irp n ASN 42 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 1irp n LEU 43 N -0.46 0.00 0.00 -4.53 -0.00 -1.26 -4.96 117.00 105.79 1irp n LEU 43 Ca 0.40 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.44 1irp n LEU 43 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.01 1irp n LEU 43 CO 0.35 0.00 -0.04 -0.62 -0.00 0.00 0.00 177.39 177.08 1irp n GLU 44 N 0.00 -0.46 0.00 1.96 4.71 -1.26 -5.03 120.64 120.55 1irp n GLU 44 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 57.16 57.46 1irp n GLU 44 Cb 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 31.44 29.86 1irp n GLU 44 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1irp n GLU 45 N -1.96 1.88 -3.81 3.49 0.00 -1.26 -5.11 120.64 113.86 1irp n GLU 45 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.10 1irp n GLU 45 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.53 1irp n GLU 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1irp s LYS 46 N 4.63 1.61 0.24 5.31 -2.85 -1.26 -4.94 119.74 122.48 1irp s LYS 46 Ca 0.00 -0.88 0.07 0.00 -1.00 0.00 0.00 55.97 54.16 1irp s LYS 46 Cb 0.00 0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 36.29 1irp s LYS 46 CO 0.00 -0.74 0.17 -1.50 0.10 0.00 0.00 175.35 173.38 1irp s ILE 47 N -3.75 4.35 -0.22 3.79 2.07 -0.45 -1.99 121.20 125.00 1irp s ILE 47 Ca 0.11 -1.42 -0.06 0.00 -1.41 0.00 0.00 60.65 57.87 1irp s ILE 47 Cb -0.05 -3.34 -0.02 0.00 0.13 0.00 0.00 42.46 39.18 1irp s ILE 47 CO 0.05 -0.33 0.01 -0.62 -1.91 0.00 0.00 174.94 172.14 1irp s ASP 48 N -3.75 4.79 -0.22 4.50 -1.08 -0.28 -0.52 116.67 120.10 1irp s ASP 48 Ca 0.32 -0.26 -0.05 0.00 -0.52 0.00 0.00 52.55 52.05 1irp s ASP 48 Cb -0.08 -1.84 -0.02 0.00 -1.46 0.00 0.00 42.92 39.52 1irp s ASP 48 CO 0.24 0.00 0.01 0.68 0.52 0.00 0.00 175.17 176.62 1irp s VAL 49 N 1.36 3.84 -0.42 1.11 -7.23 -0.86 -1.40 120.40 116.79 1irp s VAL 49 Ca 0.05 -0.34 -0.15 0.00 -1.81 0.00 0.00 61.98 59.72 1irp s VAL 49 Cb -0.15 -2.76 0.03 0.00 0.56 0.00 0.00 36.38 34.06 1irp s VAL 49 CO 0.01 0.40 0.33 -0.69 -0.31 0.00 0.00 175.10 174.84 1irp s VAL 50 N 1.38 5.23 0.40 1.32 1.01 -0.25 -4.69 120.40 124.80 1irp s VAL 50 Ca 0.05 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 1irp s VAL 50 Cb -0.15 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1irp s VAL 50 CO 0.00 -0.36 1.03 -2.16 0.00 0.00 0.00 175.10 173.61 1irp s PRO 51 N 1.75 4.18 0.00 2.72 0.04 -1.26 -1.45 135.00 140.97 1irp s PRO 51 Ca 0.06 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1irp s PRO 51 Cb -0.19 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1irp s PRO 51 CO 0.10 -0.12 0.00 -0.89 0.04 0.00 0.00 177.00 176.13 1irp n ILE 52 N -0.14 0.00 -0.06 0.56 2.08 -0.19 -4.43 119.36 117.18 1irp n ILE 52 Ca 0.05 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.30 1irp n ILE 52 Cb 0.50 -1.49 -0.06 0.00 -0.75 0.00 0.00 39.64 37.85 1irp n ILE 52 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1irp h GLU 53 N 0.00 -0.00 0.00 0.38 4.57 -1.87 -3.46 114.58 114.20 1irp h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1irp h GLU 53 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1irp h GLU 53 CO 0.00 0.45 0.00 -0.35 -1.18 0.00 0.00 179.01 177.93 1irp n PRO 54 N -4.71 0.82 -1.52 0.92 -0.04 -1.26 -4.89 135.00 124.33 1irp n PRO 54 Ca -0.05 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.01 1irp n PRO 54 Cb 0.22 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.66 1irp n PRO 54 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1irp n HIS 55 N -0.53 2.98 -3.92 0.54 -0.00 -1.26 -4.89 115.22 108.14 1irp n HIS 55 Ca 0.00 -2.95 -0.09 0.00 0.46 0.00 0.00 57.72 55.14 1irp n HIS 55 Cb 0.00 -2.47 -0.07 0.00 -0.12 0.00 0.00 29.99 27.32 1irp n HIS 55 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1irp s ALA 56 N 2.89 -0.05 0.15 1.57 0.00 -1.26 -0.92 121.76 124.14 1irp s ALA 56 Ca 0.56 -0.79 -0.21 0.00 0.00 0.00 0.00 51.96 51.51 1irp s ALA 56 Cb 0.15 0.67 0.06 0.00 0.00 0.00 0.00 23.12 24.01 1irp s ALA 56 CO -0.07 -0.57 0.56 -0.48 0.00 0.00 0.00 175.76 175.20 1irp s LEU 57 N -2.92 -0.36 0.28 0.00 2.34 -0.46 -1.02 118.68 116.54 1irp s LEU 57 Ca 0.11 -0.07 0.11 0.00 0.06 0.00 0.00 54.13 54.34 1irp s LEU 57 Cb 0.04 2.43 -0.05 0.00 -0.56 0.00 0.00 46.19 48.06 1irp s LEU 57 CO -0.05 -0.95 -0.12 0.72 -1.06 0.00 0.00 176.35 174.89 1irp s PHE 58 N -3.76 2.44 0.21 3.48 -0.71 -0.53 -1.79 117.98 117.32 1irp s PHE 58 Ca 0.01 -0.31 0.10 0.00 -1.04 0.00 0.00 56.93 55.70 1irp s PHE 58 Cb -0.00 -1.09 -0.04 0.00 -1.21 0.00 0.00 43.02 40.67 1irp s PHE 58 CO -0.13 0.67 -0.13 -0.51 -1.34 0.00 0.00 175.22 173.79 1irp s LEU 59 N -3.58 2.84 -0.30 -1.99 1.43 -0.87 -1.09 118.68 115.12 1irp s LEU 59 Ca 0.31 -0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1irp s LEU 59 Cb -0.05 -1.48 0.18 0.00 0.03 0.00 0.00 46.19 44.87 1irp s LEU 59 CO 0.17 0.08 0.67 -0.83 0.23 0.00 0.00 176.35 176.66 1irp s GLY 60 N -3.06 -0.86 0.30 -3.19 0.00 -0.50 -0.59 107.32 99.42 1irp s GLY 60 Ca 0.26 2.07 -0.24 0.00 0.00 0.00 0.00 44.72 46.82 1irp s GLY 60 CO 0.15 3.37 0.87 -1.50 0.00 0.00 0.00 173.10 175.98 1irp s ILE 61 N 2.86 4.34 0.61 0.90 2.07 -0.53 -1.13 121.20 130.32 1irp s ILE 61 Ca 0.13 1.62 -0.17 0.00 -1.41 0.00 0.00 60.65 60.82 1irp s ILE 61 Cb -0.14 -3.93 -0.02 0.00 0.13 0.00 0.00 42.46 38.50 1irp s ILE 61 CO -0.20 0.13 1.15 -1.00 -1.91 0.00 0.00 174.94 173.11 1irp s HIS 62 N -1.62 2.53 0.00 3.50 3.76 -0.84 -2.08 115.29 120.53 1irp s HIS 62 Ca 0.49 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.94 1irp s HIS 62 Cb -0.17 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.21 1irp s HIS 62 CO 0.22 -1.85 0.00 0.41 -0.85 0.00 0.00 174.74 172.67 1irp n GLY 63 N 0.02 -0.28 0.00 -2.22 0.00 -1.26 -4.66 105.19 96.79 1irp n GLY 63 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1irp n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irp n GLY 64 N -0.99 2.77 2.18 -0.02 0.00 -1.26 -4.85 105.19 103.01 1irp n GLY 64 Ca 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 45.01 1irp n GLY 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1irp n LYS 65 N 0.00 -0.99 -3.72 1.61 4.81 -0.92 -4.72 118.16 114.22 1irp n LYS 65 Ca 0.00 1.19 -0.25 0.00 -0.87 0.00 0.00 58.31 58.38 1irp n LYS 65 Cb 0.00 -3.52 -0.17 0.00 0.02 0.00 0.00 35.03 31.36 1irp n LYS 65 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1irp s MET 66 N -2.14 0.49 0.00 1.64 -1.94 -0.88 -1.18 119.30 115.28 1irp s MET 66 Ca 0.08 -0.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 1irp s MET 66 Cb -0.02 -1.55 0.00 0.00 2.01 0.00 0.00 34.83 35.27 1irp s MET 66 CO 0.37 -0.50 0.00 0.00 -0.01 0.00 0.00 175.02 174.87 1irp n LEU 68 N 0.00 0.00 0.00 0.00 4.77 0.24 -0.53 117.00 121.48 1irp n LEU 68 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1irp n LEU 68 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1irp n LEU 68 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.52 1irp n SER 69 N 0.44 0.00 -4.94 -1.43 3.41 -1.02 -2.06 113.62 108.03 1irp n SER 69 Ca 0.00 -0.33 -0.26 0.00 -0.26 0.00 0.00 58.87 58.02 1irp n SER 69 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1irp n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1irp s VAL 71 N -1.86 0.12 -0.36 0.00 0.11 0.11 -4.43 120.40 114.09 1irp s VAL 71 Ca 0.37 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.31 1irp s VAL 71 Cb -0.11 -0.12 0.11 0.00 -1.53 0.00 0.00 36.38 34.73 1irp s VAL 71 CO 0.29 -0.01 0.12 -0.75 -3.33 0.00 0.00 175.10 171.42 1irp s LYS 72 N -0.14 1.23 -1.02 1.54 2.20 -1.26 -1.07 119.74 121.21 1irp s LYS 72 Ca -0.01 -1.69 -0.20 0.00 -0.36 0.00 0.00 55.97 53.71 1irp s LYS 72 Cb -0.01 -2.65 0.09 0.00 -1.51 0.00 0.00 37.83 33.75 1irp s LYS 72 CO -0.00 -1.01 1.34 0.45 -0.36 0.00 0.00 175.35 175.77 1irp s SER 73 N 0.95 6.62 0.00 1.43 0.15 -1.17 -4.69 113.70 116.99 1irp s SER 73 Ca 0.12 -1.90 0.00 0.00 0.70 0.00 0.00 55.95 54.88 1irp s SER 73 Cb -0.20 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1irp s SER 73 CO -0.12 -1.24 0.00 0.61 1.20 0.00 0.00 173.24 173.69 1irp n GLY 74 N 5.98 2.05 0.59 9.45 0.00 -1.26 -2.88 105.19 119.12 1irp n GLY 74 Ca 0.31 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1irp n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1irp n ASP 75 N 5.84 1.22 -4.44 1.61 -0.08 -1.26 -4.99 116.55 114.45 1irp n ASP 75 Ca 0.00 -2.69 -0.44 0.00 -1.51 0.00 0.00 54.79 50.15 1irp n ASP 75 Cb 0.00 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.11 1irp n ASP 75 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1irp n GLU 76 N -0.54 3.39 -2.63 -0.67 2.13 -1.14 -5.00 120.64 116.19 1irp n GLU 76 Ca 0.10 -3.91 -0.43 0.00 0.66 0.00 0.00 57.16 53.58 1irp n GLU 76 Cb 0.77 -2.99 -0.02 0.00 0.27 0.00 0.00 31.44 29.47 1irp n GLU 76 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1irp s THR 77 N 1.25 4.20 0.14 6.31 2.01 -1.26 -3.05 115.64 125.24 1irp s THR 77 Ca 0.42 1.04 -0.00 0.00 0.31 0.00 0.00 61.69 63.46 1irp s THR 77 Cb -0.03 -4.61 0.00 0.00 0.01 0.00 0.00 72.50 67.87 1irp s THR 77 CO -0.01 -1.08 0.19 -2.11 -0.69 0.00 0.00 174.62 170.93 1irp n ARG 78 N 7.90 0.28 -2.69 4.92 1.85 -0.23 -4.75 116.66 123.93 1irp n ARG 78 Ca 0.10 -1.15 -0.41 0.00 -1.00 0.00 0.00 57.85 55.39 1irp n ARG 78 Cb 0.49 1.09 -0.05 0.00 -1.05 0.00 0.00 32.46 32.95 1irp n ARG 78 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1irp s LEU 79 N 0.00 4.54 -0.63 2.89 0.20 -1.26 -0.71 118.68 123.70 1irp s LEU 79 Ca 0.12 1.90 -0.25 0.00 0.69 0.00 0.00 54.13 56.59 1irp s LEU 79 Cb -0.00 -3.60 0.05 0.00 -0.43 0.00 0.00 46.19 42.21 1irp s LEU 79 CO 0.09 -0.04 1.06 -1.58 -0.29 0.00 0.00 176.35 175.58 1irp s GLN 80 N -0.40 3.25 -0.86 1.98 2.00 0.89 -4.57 119.66 121.95 1irp s GLN 80 Ca 0.46 -0.37 -0.02 0.00 -2.00 0.00 0.00 55.36 53.43 1irp s GLN 80 Cb -0.25 -4.13 0.32 0.00 0.80 0.00 0.00 33.01 29.75 1irp s GLN 80 CO 0.32 -1.76 2.05 -0.11 -0.50 0.00 0.00 175.29 175.28 1irp n LEU 81 N 8.09 7.44 -4.81 3.68 7.94 -1.25 -2.43 117.00 135.66 1irp n LEU 81 Ca 0.01 -4.89 -0.33 0.00 -1.11 0.00 0.00 56.01 49.69 1irp n LEU 81 Cb 0.47 -1.10 -0.03 0.00 0.53 0.00 0.00 43.42 43.29 1irp n LEU 81 CO 0.66 1.82 0.70 -0.70 -1.11 0.00 0.00 177.39 178.76 1irp s GLU 82 N -3.92 3.78 -0.11 1.96 2.12 0.31 -4.60 118.70 118.25 1irp s GLU 82 Ca 0.50 1.19 -0.30 0.00 0.36 0.00 0.00 54.97 56.73 1irp s GLU 82 Cb 0.39 -2.10 -0.02 0.00 0.26 0.00 0.00 34.13 32.66 1irp s GLU 82 CO -0.35 -0.43 1.08 0.00 -0.54 0.00 0.00 175.26 175.02 1irp s ALA 83 N -2.28 3.47 -0.14 6.30 0.00 -1.26 -1.42 121.76 126.44 1irp s ALA 83 Ca 0.64 0.42 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1irp s ALA 83 Cb -0.14 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 1irp s ALA 83 CO 0.26 -0.73 -0.16 0.08 0.00 0.00 0.00 175.76 175.21 1irp s VAL 84 N 2.28 2.68 0.27 0.00 1.01 -0.33 -4.99 120.40 121.32 1irp s VAL 84 Ca 0.50 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1irp s VAL 84 Cb -0.20 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1irp s VAL 84 CO 0.17 0.52 0.31 0.54 0.00 0.00 0.00 175.10 176.64 1irp s ASN 85 N 0.67 5.88 -0.54 3.32 4.22 -1.26 -4.70 114.94 122.53 1irp s ASN 85 Ca -0.08 -0.14 -0.27 0.00 -2.14 0.00 0.00 52.86 50.23 1irp s ASN 85 Cb -0.16 -1.53 0.03 0.00 1.28 0.00 0.00 41.25 40.88 1irp s ASN 85 CO 0.02 -0.13 1.09 -0.51 -2.04 0.00 0.00 177.10 175.53 1irp s ILE 86 N -2.09 4.19 0.00 0.54 1.10 -1.26 -4.62 121.20 119.07 1irp s ILE 86 Ca 0.36 0.82 0.00 0.00 -0.51 0.00 0.00 60.65 61.32 1irp s ILE 86 Cb -0.08 -4.62 0.00 0.00 0.15 0.00 0.00 42.46 37.90 1irp s ILE 86 CO 0.28 -1.16 0.00 1.07 -2.11 0.00 0.00 174.94 173.02 1irp n THR 87 N 6.58 0.00 0.11 4.00 5.66 -1.26 -5.02 114.28 124.35 1irp n THR 87 Ca 0.08 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.96 1irp n THR 87 Cb 0.49 0.07 -0.08 0.00 -1.55 0.00 0.00 70.33 69.26 1irp n THR 87 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1irp h ASP 88 N 0.00 -0.27 -6.27 1.09 3.58 -2.02 -3.48 116.42 109.05 1irp h ASP 88 Ca 0.00 -0.26 -0.47 0.00 0.42 0.00 0.00 57.03 56.72 1irp h ASP 88 Cb 0.00 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1irp h ASP 88 CO 0.00 0.19 -0.75 0.18 -2.88 0.00 0.00 179.24 175.98 1irp n LEU 89 N -5.02 -2.61 -2.62 2.28 7.99 -1.26 -4.88 117.00 110.87 1irp n LEU 89 Ca -0.08 -0.76 -0.03 0.00 -0.01 0.00 0.00 56.01 55.12 1irp n LEU 89 Cb 0.26 -2.59 0.12 0.00 -0.11 0.00 0.00 43.42 41.10 1irp n LEU 89 CO 0.27 0.49 0.58 -1.20 -1.51 0.00 0.00 177.39 176.02 1irp n SER 90 N -2.85 -1.52 -4.40 -1.43 7.64 -1.26 -5.09 113.62 104.71 1irp n SER 90 Ca 0.04 -2.22 -0.44 0.00 1.01 0.00 0.00 58.87 57.26 1irp n SER 90 Cb 0.53 0.76 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 1irp n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1irp n GLU 91 N -1.18 3.46 0.04 1.43 4.71 -1.26 -4.48 120.64 123.36 1irp n GLU 91 Ca -0.13 -4.10 0.00 0.00 -0.01 0.00 0.00 57.16 52.92 1irp n GLU 91 Cb 0.85 -2.84 0.00 0.00 -1.01 0.00 0.00 31.44 28.44 1irp n GLU 91 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1irp n ASN 92 N 4.37 -0.22 0.00 1.62 5.15 -1.26 -4.86 115.26 120.05 1irp n ASN 92 Ca 0.32 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.45 1irp n ASN 92 Cb 0.41 0.32 0.00 0.00 -0.53 0.00 0.00 39.78 39.98 1irp n ASN 92 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1irp n ARG 93 N -2.76 0.00 -2.72 1.20 3.00 -1.26 -4.50 116.66 109.62 1irp n ARG 93 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.81 1irp n ARG 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1irp n ARG 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1irp n LYS 94 N 0.00 -2.97 -2.99 5.56 4.81 -1.26 -4.58 118.16 116.73 1irp n LYS 94 Ca 0.00 2.47 -0.44 0.00 -0.87 0.00 0.00 58.31 59.47 1irp n LYS 94 Cb 0.00 -5.35 -0.04 0.00 0.02 0.00 0.00 35.03 29.65 1irp n LYS 94 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1irp s GLN 95 N -1.95 3.10 0.26 1.64 -0.21 -1.26 -5.00 119.66 116.24 1irp s GLN 95 Ca 0.09 -0.98 0.07 0.00 0.02 0.00 0.00 55.36 54.56 1irp s GLN 95 Cb -0.03 -4.21 -0.05 0.00 1.00 0.00 0.00 33.01 29.72 1irp s GLN 95 CO 0.75 -1.60 -0.08 0.34 -2.12 0.00 0.00 175.29 172.58 1irp s ASP 96 N 3.45 2.64 0.19 5.90 2.15 -1.26 -5.15 116.67 124.59 1irp s ASP 96 Ca 0.18 -1.15 -0.12 0.00 0.43 0.00 0.00 52.55 51.89 1irp s ASP 96 Cb -0.20 -0.15 -0.07 0.00 -0.30 0.00 0.00 42.92 42.21 1irp s ASP 96 CO 0.10 -0.31 0.55 -1.59 -0.17 0.00 0.00 175.17 173.75 1irp s LYS 97 N -3.72 3.89 0.00 4.34 -2.85 -1.26 -4.18 119.74 115.96 1irp s LYS 97 Ca 0.28 0.39 0.00 0.00 -1.00 0.00 0.00 55.97 55.63 1irp s LYS 97 Cb 0.03 -2.77 0.00 0.00 -2.06 0.00 0.00 37.83 33.02 1irp s LYS 97 CO 0.10 0.39 0.00 -2.13 0.10 0.00 0.00 175.35 173.81 1irp n ARG 98 N 0.30 0.00 -1.19 1.78 0.63 -1.09 -4.77 116.66 112.33 1irp n ARG 98 Ca -0.02 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.66 1irp n ARG 98 Cb 0.52 -0.19 0.15 0.00 0.45 0.00 0.00 32.46 33.39 1irp n ARG 98 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1irp n PHE 99 N 0.00 2.95 -3.72 -0.14 3.01 -1.22 -2.33 117.46 116.01 1irp n PHE 99 Ca 0.00 -1.98 -0.26 0.00 1.01 0.00 0.00 57.45 56.22 1irp n PHE 99 Cb 0.00 -1.00 -0.17 0.00 -0.01 0.00 0.00 39.48 38.30 1irp n PHE 99 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1irp s ALA 100 N -3.22 0.82 -0.47 4.37 0.00 -1.05 -4.69 121.76 117.52 1irp s ALA 100 Ca 0.55 -0.50 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 1irp s ALA 100 Cb 0.46 -1.06 0.05 0.00 0.00 0.00 0.00 23.12 22.57 1irp s ALA 100 CO 0.08 -1.02 0.54 -0.06 0.00 0.00 0.00 175.76 175.30 1irp s PHE 101 N 1.94 3.11 -0.08 0.00 0.40 -0.74 -0.67 117.98 121.94 1irp s PHE 101 Ca 0.01 -0.53 -0.21 0.00 -0.60 0.00 0.00 56.93 55.60 1irp s PHE 101 Cb -0.16 -3.30 -0.04 0.00 0.51 0.00 0.00 43.02 40.03 1irp s PHE 101 CO -0.08 -0.90 0.61 0.42 0.70 0.00 0.00 175.22 175.98 1irp s ILE 102 N 2.36 5.09 -0.60 0.64 1.09 -0.44 -1.35 121.20 127.99 1irp s ILE 102 Ca 0.13 1.26 -0.28 0.00 -1.10 0.00 0.00 60.65 60.66 1irp s ILE 102 Cb -0.19 -3.95 0.03 0.00 -1.06 0.00 0.00 42.46 37.28 1irp s ILE 102 CO 0.12 0.29 1.26 -0.60 -0.10 0.00 0.00 174.94 175.90 1irp s ARG 103 N 0.70 3.42 -0.73 2.79 3.52 -0.10 -0.83 118.95 127.72 1irp s ARG 103 Ca 0.33 0.23 -0.17 0.00 -0.13 0.00 0.00 55.73 55.99 1irp s ARG 103 Cb -0.17 -4.06 0.15 0.00 -1.56 0.00 0.00 34.95 29.31 1irp s ARG 103 CO 0.15 -1.81 0.79 0.45 -0.81 0.00 0.00 175.30 174.08 1irp s SER 104 N 3.41 6.46 0.61 -2.12 0.15 0.33 -4.95 113.70 117.59 1irp s SER 104 Ca 0.44 -1.99 -0.12 0.00 0.70 0.00 0.00 55.95 54.98 1irp s SER 104 Cb -0.08 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 1irp s SER 104 CO 0.24 -0.91 1.03 -1.81 1.20 0.00 0.00 173.24 172.98 1irp s ASP 105 N 3.17 6.23 -0.49 5.45 1.01 -1.26 -2.34 116.67 128.43 1irp s ASP 105 Ca 0.17 1.46 0.06 0.00 0.71 0.00 0.00 52.55 54.95 1irp s ASP 105 Cb -0.16 -2.48 0.19 0.00 1.01 0.00 0.00 42.92 41.48 1irp s ASP 105 CO -0.02 -0.87 0.68 -1.20 0.21 0.00 0.00 175.17 173.97 1irp n SER 106 N -2.60 -2.79 0.00 0.27 7.64 -0.58 -4.98 113.62 110.58 1irp n SER 106 Ca 0.06 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 57.07 1irp n SER 106 Cb 0.54 1.31 0.00 0.00 -1.01 0.00 0.00 64.21 65.05 1irp n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1irp n GLY 107 N 2.71 1.04 0.30 0.23 0.00 -1.26 -3.74 105.19 104.48 1irp n GLY 107 Ca 0.19 -0.77 0.05 0.00 0.00 0.00 0.00 46.02 45.49 1irp n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1irp h PRO 108 N 0.00 0.47 -6.59 1.61 0.11 -2.00 -3.44 132.00 122.17 1irp h PRO 108 Ca 0.00 -0.03 -0.52 0.00 0.11 0.00 0.00 66.00 65.57 1irp h PRO 108 Cb 0.00 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 30.98 1irp h PRO 108 CO 0.00 0.31 0.21 0.95 -0.21 0.00 0.00 178.00 179.26 1irp s THR 109 N -5.44 4.33 0.03 -1.15 -4.23 -1.25 -4.02 115.64 103.92 1irp s THR 109 Ca -0.08 1.72 0.00 0.00 -1.18 0.00 0.00 61.69 62.15 1irp s THR 109 Cb 0.17 -4.12 -0.00 0.00 1.34 0.00 0.00 72.50 69.89 1irp s THR 109 CO 0.72 0.45 0.01 1.07 -0.54 0.00 0.00 174.62 176.34 1irp n THR 110 N 1.39 0.00 -3.58 3.99 5.66 0.10 -1.53 114.28 120.31 1irp n THR 110 Ca -0.04 -0.15 -0.16 0.00 -3.05 0.00 0.00 64.05 60.64 1irp n THR 110 Cb 0.49 0.06 -0.07 0.00 -1.55 0.00 0.00 70.33 69.26 1irp n THR 110 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1irp s SER 111 N -1.16 -0.58 -1.01 1.09 1.04 -0.99 -1.25 113.70 110.85 1irp s SER 111 Ca 0.01 0.71 -0.06 0.00 0.48 0.00 0.00 55.95 57.10 1irp s SER 111 Cb 0.00 0.64 0.25 0.00 0.10 0.00 0.00 66.02 67.01 1irp s SER 111 CO 0.01 -0.51 0.96 -0.36 0.98 0.00 0.00 173.24 174.31 1irp s PHE 112 N -0.95 4.10 -0.47 5.02 0.08 -0.87 -0.51 117.98 124.39 1irp s PHE 112 Ca -0.10 -2.83 -0.29 0.00 0.12 0.00 0.00 56.93 53.84 1irp s PHE 112 Cb -0.02 -3.58 0.02 0.00 -0.57 0.00 0.00 43.02 38.87 1irp s PHE 112 CO 0.07 -0.86 1.33 -2.00 -0.10 0.00 0.00 175.22 173.66 1irp s GLU 113 N -1.27 3.56 0.32 0.44 -6.30 -0.01 -0.52 118.70 114.92 1irp s GLU 113 Ca 0.29 0.70 0.08 0.00 -2.50 0.00 0.00 54.97 53.54 1irp s GLU 113 Cb -0.09 -4.01 -0.04 0.00 0.00 0.00 0.00 34.13 29.99 1irp s GLU 113 CO -0.10 -1.60 0.19 -1.12 0.02 0.00 0.00 175.26 172.65 1irp s SER 114 N 3.58 4.96 -1.08 -1.70 0.01 0.13 -1.33 113.70 118.28 1irp s SER 114 Ca 0.55 -0.62 -0.22 0.00 1.31 0.00 0.00 55.95 56.97 1irp s SER 114 Cb -0.11 -0.89 0.03 0.00 0.21 0.00 0.00 66.02 65.26 1irp s SER 114 CO 0.31 -0.27 1.64 0.00 0.41 0.00 0.00 173.24 175.32 1irp s ALA 115 N -2.35 2.61 -1.99 1.44 0.00 0.16 -2.00 121.76 119.64 1irp s ALA 115 Ca 0.38 -2.28 0.19 0.00 0.00 0.00 0.00 51.96 50.24 1irp s ALA 115 Cb -0.04 -4.57 0.54 0.00 0.00 0.00 0.00 23.12 19.04 1irp s ALA 115 CO 0.24 -3.86 1.45 0.00 0.00 0.00 0.00 175.76 173.58 1irp n ALA 116 N 10.03 2.41 0.00 0.00 0.00 -1.26 -2.53 120.51 129.16 1irp n ALA 116 Ca 0.39 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1irp n ALA 116 Cb 0.49 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1irp n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp n PRO 118 N 0.00 0.74 -3.04 0.00 -0.04 -1.26 -4.45 135.00 126.96 1irp n PRO 118 Ca 0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.02 1irp n PRO 118 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1irp n PRO 118 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1irp s GLY 119 N -1.68 2.59 0.18 0.55 0.00 -1.26 -4.30 107.32 103.41 1irp s GLY 119 Ca 0.00 -3.47 0.11 0.00 0.00 0.00 0.00 44.72 41.36 1irp s GLY 119 CO 0.00 1.88 -0.23 -0.98 0.00 0.00 0.00 173.10 173.77 1irp s TRP 120 N 0.93 2.22 -0.44 1.90 0.52 -0.85 -4.91 118.94 118.31 1irp s TRP 120 Ca 0.40 -0.38 -0.27 0.00 0.02 0.00 0.00 56.10 55.87 1irp s TRP 120 Cb -0.05 -1.11 0.02 0.00 -1.15 0.00 0.00 33.47 31.19 1irp s TRP 120 CO -0.02 0.45 1.01 -0.06 0.02 0.00 0.00 176.95 178.35 1irp s PHE 121 N -1.65 2.93 -0.35 -1.98 0.08 -0.38 -0.69 117.98 115.94 1irp s PHE 121 Ca 0.19 0.64 -0.25 0.00 0.12 0.00 0.00 56.93 57.63 1irp s PHE 121 Cb -0.08 -4.04 0.01 0.00 -0.57 0.00 0.00 43.02 38.34 1irp s PHE 121 CO 0.09 -1.08 0.86 -1.17 -0.10 0.00 0.00 175.22 173.82 1irp s LEU 122 N 3.93 4.06 0.00 -0.37 1.98 0.32 -0.77 118.68 127.83 1irp s LEU 122 Ca 0.42 0.53 0.01 0.00 -2.89 0.00 0.00 54.13 52.20 1irp s LEU 122 Cb -0.10 -3.16 -0.01 0.00 0.66 0.00 0.00 46.19 43.59 1irp s LEU 122 CO 0.26 -0.77 0.05 0.00 -1.89 0.00 0.00 176.35 174.00 1irp s THR 124 N -2.36 1.99 0.26 0.00 -4.23 -1.17 -1.90 115.64 108.23 1irp s THR 124 Ca 0.07 -1.39 -0.30 0.00 -1.18 0.00 0.00 61.69 58.89 1irp s THR 124 Cb 0.00 -1.72 -0.11 0.00 1.34 0.00 0.00 72.50 72.02 1irp s THR 124 CO 0.05 0.26 1.52 0.00 -0.54 0.00 0.00 174.62 175.91 1irp s ALA 125 N -0.85 3.69 0.17 3.99 0.00 -0.81 0.34 121.76 128.29 1irp s ALA 125 Ca 0.10 1.44 0.08 0.00 0.00 0.00 0.00 51.96 53.58 1irp s ALA 125 Cb -0.10 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 1irp s ALA 125 CO 0.03 -0.85 1.39 1.98 0.00 0.00 0.00 175.76 178.31 1irp h MET 126 N 5.09 0.00 -1.34 0.00 4.05 -1.82 -3.28 114.93 117.63 1irp h MET 126 Ca -0.46 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1irp h MET 126 Cb 1.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1irp h MET 126 CO 0.79 0.87 0.00 0.39 0.23 0.00 0.00 176.91 179.20 1irp n GLU 127 N -3.50 0.73 -1.87 0.39 4.71 -1.26 -4.87 120.64 114.97 1irp n GLU 127 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 1irp n GLU 127 Cb 0.83 -1.14 -0.03 0.00 -1.01 0.00 0.00 31.44 30.09 1irp n GLU 127 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1irp n ALA 128 N 0.72 -0.47 0.00 0.62 0.00 -1.26 -4.59 120.51 115.53 1irp n ALA 128 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1irp n ALA 128 Cb 0.36 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1irp n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1irp n ASP 129 N -1.04 0.00 -4.11 0.00 -0.08 -1.24 -3.52 116.55 106.56 1irp n ASP 129 Ca -0.13 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.85 1irp n ASP 129 Cb 0.49 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.16 1irp n ASP 129 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1irp s GLN 130 N -0.57 -0.37 0.07 -0.67 -0.21 -1.25 -4.64 119.66 112.02 1irp s GLN 130 Ca 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 55.36 55.38 1irp s GLN 130 Cb 0.00 -1.69 0.01 0.00 1.00 0.00 0.00 33.01 32.33 1irp s GLN 130 CO 0.00 -3.16 0.09 -0.35 -2.12 0.00 0.00 175.29 169.76 1irp n PRO 131 N -4.38 0.80 -2.33 2.91 -0.04 -1.26 -0.63 135.00 130.07 1irp n PRO 131 Ca 0.12 -0.31 -0.38 0.00 -0.04 0.00 0.00 63.50 62.88 1irp n PRO 131 Cb 0.59 -0.04 -0.02 0.00 -0.04 0.00 0.00 33.50 33.98 1irp n PRO 131 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1irp s VAL 132 N 0.34 3.23 0.16 0.52 0.11 -0.85 -1.92 120.40 121.99 1irp s VAL 132 Ca 0.07 1.05 -0.21 0.00 -2.93 0.00 0.00 61.98 59.96 1irp s VAL 132 Cb -0.00 -3.60 0.06 0.00 -1.53 0.00 0.00 36.38 31.30 1irp s VAL 132 CO 0.04 0.12 0.55 -0.44 -3.33 0.00 0.00 175.10 172.04 1irp s SER 133 N -1.11 -0.45 -0.08 3.54 0.01 -0.80 -4.85 113.70 109.96 1irp s SER 133 Ca 0.55 -0.14 -0.11 0.00 1.31 0.00 0.00 55.95 57.56 1irp s SER 133 Cb -0.30 0.57 -0.05 0.00 0.21 0.00 0.00 66.02 66.45 1irp s SER 133 CO 0.38 -0.96 0.25 -0.76 0.41 0.00 0.00 173.24 172.57 1irp s LEU 134 N -2.78 4.40 -0.03 2.44 1.43 -1.26 -1.35 118.68 121.53 1irp s LEU 134 Ca 0.02 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1irp s LEU 134 Cb -0.00 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1irp s LEU 134 CO -0.11 0.34 -0.05 -0.89 0.23 0.00 0.00 176.35 175.87 1irp s THR 135 N -0.86 3.80 -0.08 5.49 2.01 0.05 -4.98 115.64 121.07 1irp s THR 135 Ca 0.18 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.55 1irp s THR 135 Cb -0.14 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 1irp s THR 135 CO 0.07 0.49 0.20 -0.55 -0.69 0.00 0.00 174.62 174.14 1irp h ASN 136 N 4.85 -0.15 0.00 3.53 -1.07 -1.96 -1.00 115.58 119.78 1irp h ASN 136 Ca -0.49 0.01 0.00 0.00 0.07 0.00 0.00 56.30 55.89 1irp h ASN 136 Cb 1.17 0.04 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1irp h ASN 136 CO 0.54 0.33 0.00 0.80 0.07 0.00 0.00 177.43 179.17 1irp n MET 137 N -4.89 0.00 -2.55 4.14 0.00 -1.26 -4.49 117.12 108.07 1irp n MET 137 Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.28 1irp n MET 137 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.24 1irp n MET 137 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1irp s PRO 138 N -1.01 4.69 -0.15 2.12 0.04 -1.26 -5.06 135.00 134.37 1irp s PRO 138 Ca 0.00 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 1irp s PRO 138 Cb 0.00 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.37 1irp s PRO 138 CO 0.00 0.28 -0.01 0.34 0.04 0.00 0.00 177.00 177.66 1irp s ASP 139 N -0.90 2.56 -1.02 6.66 -1.08 -1.26 -5.07 116.67 116.57 1irp s ASP 139 Ca 0.44 -0.59 -0.03 0.00 -0.52 0.00 0.00 52.55 51.85 1irp s ASP 139 Cb -0.30 -0.68 0.24 0.00 -1.46 0.00 0.00 42.92 40.72 1irp s ASP 139 CO 0.38 -0.23 2.13 1.21 0.52 0.00 0.00 175.17 179.18 1irp n GLU 140 N 5.01 4.45 -2.87 4.34 4.07 -1.26 -4.75 120.64 129.63 1irp n GLU 140 Ca -0.10 -3.88 -0.11 0.00 -0.06 0.00 0.00 57.16 53.01 1irp n GLU 140 Cb 0.48 -2.45 0.06 0.00 -0.06 0.00 0.00 31.44 29.47 1irp n GLU 140 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1irp n GLY 141 N 0.49 -0.45 1.30 8.31 0.00 -1.26 -5.01 105.19 108.57 1irp n GLY 141 Ca 0.53 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1irp n GLY 141 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1irp n VAL 142 N -2.94 0.57 -4.65 1.61 3.14 -1.26 -4.99 118.33 109.80 1irp n VAL 142 Ca -0.11 0.19 -0.33 0.00 -2.96 0.00 0.00 64.34 61.13 1irp n VAL 142 Cb 0.60 -1.27 -0.12 0.00 -1.06 0.00 0.00 33.84 31.99 1irp n VAL 142 CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1irp s MET 143 N -2.00 3.01 -0.83 1.45 1.75 -1.26 -2.81 119.30 118.61 1irp s MET 143 Ca 0.00 -0.59 -0.25 0.00 -1.25 0.00 0.00 55.69 53.60 1irp s MET 143 Cb 0.00 -2.63 0.04 0.00 2.84 0.00 0.00 34.83 35.08 1irp s MET 143 CO 0.00 0.49 1.32 0.08 -0.65 0.00 0.00 175.02 176.26 1irp s VAL 144 N -0.35 3.84 -0.37 10.11 1.01 0.15 -4.82 120.40 129.97 1irp s VAL 144 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1irp s VAL 144 Cb -0.12 -4.95 0.33 0.00 0.00 0.00 0.00 36.38 31.63 1irp s VAL 144 CO 0.02 -1.86 1.87 1.07 0.00 0.00 0.00 175.10 176.21 1irp n THR 145 N 6.50 2.80 -2.91 3.92 5.66 -1.26 -3.07 114.28 125.93 1irp n THR 145 Ca 0.13 -1.74 -0.13 0.00 -3.05 0.00 0.00 64.05 59.27 1irp n THR 145 Cb 0.49 -1.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.20 1irp n THR 145 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1irp n LYS 146 N -0.19 0.68 -4.58 1.09 2.85 -1.16 -4.50 118.16 112.35 1irp n LYS 146 Ca 0.39 -2.26 -0.34 0.00 -1.05 0.00 0.00 58.31 55.05 1irp n LYS 146 Cb 0.82 -1.42 -0.11 0.00 -0.65 0.00 0.00 35.03 33.67 1irp n LYS 146 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1irp s PHE 147 N 0.20 2.97 -0.01 5.58 -0.12 -0.38 -4.66 117.98 121.56 1irp s PHE 147 Ca 0.33 -0.01 -0.30 0.00 -0.05 0.00 0.00 56.93 56.90 1irp s PHE 147 Cb 0.17 -1.75 -0.04 0.00 -0.63 0.00 0.00 43.02 40.77 1irp s PHE 147 CO -0.18 0.30 1.09 -0.47 -0.05 0.00 0.00 175.22 175.90 1irp s TYR 148 N -0.67 3.49 -0.46 3.49 5.04 0.52 0.02 117.35 128.77 1irp s TYR 148 Ca 0.10 1.48 -0.28 0.00 -2.44 0.00 0.00 57.07 55.93 1irp s TYR 148 Cb -0.11 -3.27 0.03 0.00 0.35 0.00 0.00 41.96 38.95 1irp s TYR 148 CO 0.02 -0.65 1.06 0.12 -1.34 0.00 0.00 175.55 174.76 1irp s PHE 149 N 1.39 2.87 -0.17 4.97 2.19 -1.26 -2.02 117.98 125.96 1irp s PHE 149 Ca 0.54 0.64 -0.00 0.00 0.33 0.00 0.00 56.93 58.44 1irp s PHE 149 Cb -0.24 -4.23 0.04 0.00 -1.31 0.00 0.00 43.02 37.28 1irp s PHE 149 CO 0.26 -1.18 -0.06 -1.14 1.83 0.00 0.00 175.22 174.92 1irp s GLN 150 N 4.17 1.56 -1.31 10.12 0.74 -0.52 -5.04 119.66 129.38 1irp s GLN 150 Ca 0.44 -0.56 -0.17 0.00 0.05 0.00 0.00 55.36 55.13 1irp s GLN 150 Cb -0.08 -2.05 0.02 0.00 1.10 0.00 0.00 33.01 32.00 1irp s GLN 150 CO 0.29 -0.42 1.98 0.39 -0.55 0.00 0.00 175.29 176.98 1irp n GLU 151 N 4.84 2.76 -2.91 1.67 4.71 -1.26 -1.37 120.64 129.09 1irp n GLU 151 Ca -0.13 -2.80 -0.41 0.00 -0.01 0.00 0.00 57.16 53.82 1irp n GLU 151 Cb 0.48 -3.38 -0.04 0.00 -1.01 0.00 0.00 31.44 27.49 1irp n GLU 151 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1irp s ASP 152 N 4.06 7.00 0.00 1.62 1.01 -1.25 -4.90 116.67 124.22 1irp s ASP 152 Ca 0.53 1.22 0.31 0.00 0.71 0.00 0.00 52.55 55.32 1irp s ASP 152 Cb 0.09 -2.46 1.83 0.00 1.01 0.00 0.00 42.92 43.40 1irp s ASP 152 CO 0.02 -0.33 2.16 -1.84 0.21 0.00 0.00 175.17 175.39