#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irp s ARG 2 N 0.00 0.61 -1.38 2.12 3.52 -1.26 -4.78 118.95 117.78 1irp s ARG 2 Ca 0.00 0.06 -0.15 0.00 -0.13 0.00 0.00 55.73 55.51 1irp s ARG 2 Cb 0.00 -0.87 0.01 0.00 -1.56 0.00 0.00 34.95 32.53 1irp s ARG 2 CO 0.00 -0.23 2.22 -0.35 -0.81 0.00 0.00 175.30 176.14 1irp n PRO 3 N 4.75 2.72 0.00 5.12 -0.04 -1.26 -4.82 135.00 141.48 1irp n PRO 3 Ca -0.14 -2.49 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 1irp n PRO 3 Cb 0.50 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 1irp n PRO 3 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1irp n SER 4 N 6.15 0.00 0.00 3.54 2.88 -1.26 -4.96 113.62 119.97 1irp n SER 4 Ca 0.53 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1irp n SER 4 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1irp n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1irp n GLY 5 N 0.00 2.31 3.73 0.46 0.00 -1.26 -4.79 105.19 105.64 1irp n GLY 5 Ca 0.00 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1irp n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1irp s ARG 6 N 0.00 4.63 0.23 1.61 0.52 -1.26 -5.04 118.95 119.64 1irp s ARG 6 Ca 0.00 1.38 -0.30 0.00 -0.52 0.00 0.00 55.73 56.29 1irp s ARG 6 Cb 0.00 -3.40 -0.09 0.00 0.52 0.00 0.00 34.95 31.99 1irp s ARG 6 CO 0.00 0.15 1.07 0.15 0.02 0.00 0.00 175.30 176.69 1irp s LYS 7 N 0.26 4.66 -1.92 3.54 3.01 -1.26 -3.31 119.74 124.72 1irp s LYS 7 Ca 0.47 1.71 0.00 0.00 -1.01 0.00 0.00 55.97 57.14 1irp s LYS 7 Cb -0.22 -3.24 0.00 0.00 -1.01 0.00 0.00 37.83 33.35 1irp s LYS 7 CO 0.28 0.20 0.00 0.43 0.51 0.00 0.00 175.35 176.78 1irp n SER 8 N 1.76 -5.22 -4.08 2.83 7.64 -1.26 -4.97 113.62 110.32 1irp n SER 8 Ca 0.00 0.33 -0.36 0.00 1.01 0.00 0.00 58.87 59.86 1irp n SER 8 Cb 0.46 -4.55 -0.09 0.00 -1.01 0.00 0.00 64.21 59.02 1irp n SER 8 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1irp s SER 9 N -2.45 5.44 0.00 6.43 0.01 -1.21 -4.98 113.70 116.94 1irp s SER 9 Ca 0.00 -3.21 0.00 0.00 1.31 0.00 0.00 55.95 54.05 1irp s SER 9 Cb 0.00 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1irp s SER 9 CO 0.00 -0.29 0.00 0.29 0.41 0.00 0.00 173.24 173.65 1irp n LYS 10 N 3.00 -0.46 -2.41 12.44 4.76 -1.26 -4.89 118.16 129.33 1irp n LYS 10 Ca 0.13 0.49 -0.41 0.00 -2.87 0.00 0.00 58.31 55.64 1irp n LYS 10 Cb 0.37 -0.37 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1irp n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1irp s MET 11 N -0.10 4.48 -1.14 1.97 0.23 -1.26 -4.95 119.30 118.53 1irp s MET 11 Ca 0.00 1.81 -0.07 0.00 -1.03 0.00 0.00 55.69 56.40 1irp s MET 11 Cb 0.00 -3.29 -0.04 0.00 -1.53 0.00 0.00 34.83 29.97 1irp s MET 11 CO 0.00 -0.13 2.89 1.04 -2.03 0.00 0.00 175.02 176.79 1irp n GLN 12 N 3.05 3.54 -2.45 3.16 6.02 -1.26 -4.95 117.38 124.49 1irp n GLN 12 Ca 0.06 -2.38 -0.43 0.00 -0.01 0.00 0.00 57.00 54.24 1irp n GLN 12 Cb 0.46 -2.55 -0.02 0.00 1.02 0.00 0.00 30.24 29.15 1irp n GLN 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1irp s ALA 13 N 0.59 3.35 0.11 -1.58 0.00 -1.26 -1.92 121.76 121.07 1irp s ALA 13 Ca 0.64 0.04 0.10 0.00 0.00 0.00 0.00 51.96 52.74 1irp s ALA 13 Cb 0.23 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1irp s ALA 13 CO -0.08 -1.79 -0.25 0.12 0.00 0.00 0.00 175.76 173.76 1irp s PHE 14 N 4.34 2.36 0.03 0.00 5.36 0.30 -0.20 117.98 130.18 1irp s PHE 14 Ca 0.55 -0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 1irp s PHE 14 Cb -0.15 -1.29 -0.02 0.00 -0.34 0.00 0.00 43.02 41.21 1irp s PHE 14 CO 0.23 0.32 -0.04 0.50 -1.46 0.00 0.00 175.22 174.77 1irp s ARG 15 N -1.94 0.38 0.00 10.12 3.52 0.12 -1.99 118.95 129.16 1irp s ARG 15 Ca 0.14 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 55.06 1irp s ARG 15 Cb -0.10 0.04 -0.01 0.00 -1.56 0.00 0.00 34.95 33.32 1irp s ARG 15 CO 0.06 -0.04 -0.07 0.96 -0.81 0.00 0.00 175.30 175.41 1irp s ILE 16 N -1.70 0.52 0.00 4.11 -4.36 -1.26 -1.27 121.20 117.24 1irp s ILE 16 Ca -0.12 -0.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.91 1irp s ILE 16 Cb -0.08 -0.45 0.00 0.00 1.25 0.00 0.00 42.46 43.18 1irp s ILE 16 CO -0.02 0.09 0.00 -2.67 0.24 0.00 0.00 174.94 172.59 1irp n TRP 17 N 2.78 -0.48 -3.74 1.37 4.27 -0.73 -1.75 117.44 119.15 1irp n TRP 17 Ca -0.14 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.34 1irp n TRP 17 Cb 0.57 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.43 1irp n TRP 17 CO 0.00 0.00 0.00 0.16 -2.29 0.00 0.00 177.69 175.56 1irp s ASP 18 N -0.51 -0.30 0.61 -0.67 1.47 0.30 -0.30 116.67 117.26 1irp s ASP 18 Ca 0.00 0.41 0.33 0.00 1.18 0.00 0.00 52.55 54.47 1irp s ASP 18 Cb 0.00 0.52 1.78 0.00 -0.34 0.00 0.00 42.92 44.88 1irp s ASP 18 CO 0.00 -0.32 1.99 0.58 0.68 0.00 0.00 175.17 178.10 1irp h VAL 19 N 4.11 0.00 0.00 2.11 2.07 -1.94 -2.42 116.25 120.18 1irp h VAL 19 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1irp h VAL 19 Cb 1.18 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1irp h VAL 19 CO 0.34 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.52 1irp n ASN 20 N -2.83 1.83 -2.82 0.57 3.02 -1.26 -4.81 115.26 108.97 1irp n ASN 20 Ca -0.02 -1.74 -0.08 0.00 -0.03 0.00 0.00 54.58 52.71 1irp n ASN 20 Cb 0.25 -0.44 0.04 0.00 -0.61 0.00 0.00 39.78 39.02 1irp n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1irp n GLN 21 N 0.34 -1.52 -3.81 3.52 1.13 -1.14 -5.08 117.38 110.82 1irp n GLN 21 Ca 0.00 0.88 -0.12 0.00 -1.94 0.00 0.00 57.00 55.82 1irp n GLN 21 Cb 0.34 -4.87 -0.10 0.00 0.11 0.00 0.00 30.24 25.71 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 -3.73 0.44 0.04 -1.09 1.02 -0.92 -4.77 119.74 110.72 1irp s LYS 22 Ca 0.24 -0.06 -0.04 0.00 0.02 0.00 0.00 55.97 56.13 1irp s LYS 22 Cb -0.03 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.46 1irp s LYS 22 CO 0.58 -0.10 0.07 0.95 -0.92 0.00 0.00 175.35 175.93 1irp s THR 23 N -0.76 0.14 -0.16 2.17 -4.23 0.63 -0.54 115.64 112.89 1irp s THR 23 Ca -0.08 -1.14 -0.07 0.00 -1.18 0.00 0.00 61.69 59.21 1irp s THR 23 Cb -0.05 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 1irp s THR 23 CO 0.02 -0.63 0.09 -0.36 -0.54 0.00 0.00 174.62 173.20 1irp s PHE 24 N -2.58 3.37 -0.23 3.99 0.40 -0.72 -0.79 117.98 121.43 1irp s PHE 24 Ca -0.05 0.27 -0.17 0.00 -0.60 0.00 0.00 56.93 56.37 1irp s PHE 24 Cb -0.01 -2.03 0.06 0.00 0.51 0.00 0.00 43.02 41.55 1irp s PHE 24 CO -0.05 0.38 0.58 1.52 0.70 0.00 0.00 175.22 178.36 1irp s TYR 25 N -0.15 -0.76 0.18 0.36 -0.85 -0.89 -4.76 117.35 110.48 1irp s TYR 25 Ca 0.09 1.68 -0.30 0.00 -0.52 0.00 0.00 57.07 58.02 1irp s TYR 25 Cb -0.12 0.35 -0.07 0.00 0.38 0.00 0.00 41.96 42.49 1irp s TYR 25 CO 0.01 -0.38 1.05 -1.17 -1.52 0.00 0.00 175.55 173.54 1irp s LEU 26 N 0.90 4.52 -0.00 -3.49 2.96 -1.26 -0.86 118.68 121.44 1irp s LEU 26 Ca -0.05 2.02 -0.01 0.00 -0.22 0.00 0.00 54.13 55.87 1irp s LEU 26 Cb -0.05 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.03 1irp s LEU 26 CO -0.08 -0.13 -0.02 0.54 -1.32 0.00 0.00 176.35 175.34 1irp n ARG 27 N 2.28 0.03 0.00 1.98 1.74 -1.17 -4.58 116.66 116.93 1irp n ARG 27 Ca 0.02 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1irp n ARG 27 Cb 0.47 -0.27 0.00 0.00 -1.02 0.00 0.00 32.46 31.64 1irp n ARG 27 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1irp n ASN 28 N -2.68 0.00 -0.27 0.55 5.15 -1.26 -4.98 115.26 111.77 1irp n ASN 28 Ca -0.01 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.00 1irp n ASN 28 Cb 0.03 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.33 1irp n ASN 28 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1irp n ASN 29 N -2.44 2.12 -3.70 1.20 5.15 -1.26 -5.07 115.26 111.25 1irp n ASN 29 Ca 0.00 -1.75 -0.14 0.00 -0.60 0.00 0.00 54.58 52.09 1irp n ASN 29 Cb 0.00 -0.07 -0.08 0.00 -0.53 0.00 0.00 39.78 39.10 1irp n ASN 29 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1irp s GLN 30 N -0.82 0.80 -0.62 1.20 -1.52 -1.26 -4.72 119.66 112.72 1irp s GLN 30 Ca 0.09 -0.16 -0.25 0.00 -1.95 0.00 0.00 55.36 53.09 1irp s GLN 30 Cb 0.05 0.36 0.05 0.00 -0.22 0.00 0.00 33.01 33.25 1irp s GLN 30 CO 0.07 -0.24 1.05 -0.51 -0.25 0.00 0.00 175.29 175.41 1irp s LEU 31 N -1.48 3.90 0.51 2.90 1.02 -1.26 -3.05 118.68 121.23 1irp s LEU 31 Ca -0.11 -0.48 -0.17 0.00 0.02 0.00 0.00 54.13 53.39 1irp s LEU 31 Cb -0.03 -2.71 -0.08 0.00 0.02 0.00 0.00 46.19 43.39 1irp s LEU 31 CO 0.04 -1.44 1.00 -0.69 0.02 0.00 0.00 176.35 175.27 1irp s VAL 32 N 4.47 4.33 0.02 -1.59 1.01 -0.04 -1.84 120.40 126.75 1irp s VAL 32 Ca 0.31 1.19 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 1irp s VAL 32 Cb -0.12 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1irp s VAL 32 CO 0.17 -0.57 0.15 0.00 0.00 0.00 0.00 175.10 174.85 1irp s ALA 33 N -2.48 3.81 0.00 5.51 0.00 -0.55 -2.09 121.76 125.96 1irp s ALA 33 Ca 0.61 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1irp s ALA 33 Cb -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1irp s ALA 33 CO 0.29 0.75 0.00 0.41 0.00 0.00 0.00 175.76 177.21 1irp n GLY 34 N 0.79 1.53 2.56 0.00 0.00 0.03 -3.85 105.19 106.26 1irp n GLY 34 Ca -0.10 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.20 0.00 1.61 4.01 -1.26 -0.27 117.16 119.05 1irp n TYR 35 Ca 0.00 -2.47 0.00 0.00 -0.16 0.00 0.00 57.90 55.27 1irp n TYR 35 Cb 0.00 0.95 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 1irp n TYR 35 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1irp n LEU 36 N 1.10 0.00 -3.85 7.72 7.94 -1.26 -4.71 117.00 123.95 1irp n LEU 36 Ca 0.13 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.88 1irp n LEU 36 Cb 0.63 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.43 1irp n LEU 36 CO 0.09 0.00 -0.37 -1.10 -1.11 0.00 0.00 177.39 174.90 1irp s GLN 37 N 0.00 0.16 -0.45 1.96 -0.21 -1.26 -5.05 119.66 114.81 1irp s GLN 37 Ca 0.00 0.03 0.05 0.00 0.02 0.00 0.00 55.36 55.47 1irp s GLN 37 Cb 0.00 -0.28 0.18 0.00 1.00 0.00 0.00 33.01 33.91 1irp s GLN 37 CO 0.00 -0.06 0.54 0.20 -2.12 0.00 0.00 175.29 173.84 1irp s GLY 38 N 0.54 -0.20 0.08 3.09 0.00 -1.26 -5.06 107.32 104.51 1irp s GLY 38 Ca -0.05 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 1irp s GLY 38 CO -0.01 2.98 1.65 -2.55 0.00 0.00 0.00 173.10 175.17 1irp h PRO 39 N 5.60 -0.62 -1.29 2.90 0.11 -1.99 -3.38 132.00 133.33 1irp h PRO 39 Ca 0.14 0.04 -0.41 0.00 0.11 0.00 0.00 66.00 65.88 1irp h PRO 39 Cb 1.03 0.14 -0.40 0.00 0.11 0.00 0.00 31.00 31.88 1irp h PRO 39 CO 0.17 -0.41 -1.16 0.09 -0.21 0.00 0.00 178.00 176.48 1irp n ASN 40 N -5.38 1.57 -3.54 -2.05 4.13 -1.26 -5.00 115.26 103.73 1irp n ASN 40 Ca -0.11 -2.86 -0.22 0.00 1.68 0.00 0.00 54.58 53.06 1irp n ASN 40 Cb 0.29 -0.55 0.05 0.00 -1.54 0.00 0.00 39.78 38.03 1irp n ASN 40 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1irp n VAL 41 N -0.01 -6.45 -3.30 2.41 0.31 -1.26 -4.98 118.33 105.05 1irp n VAL 41 Ca 0.15 -0.91 -0.33 0.00 -0.01 0.00 0.00 64.34 63.25 1irp n VAL 41 Cb 0.76 -4.88 -0.05 0.00 -0.91 0.00 0.00 33.84 28.77 1irp n VAL 41 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1irp n ASN 42 N -3.00 4.69 0.09 4.52 2.85 -1.26 -4.74 115.26 118.42 1irp n ASN 42 Ca -0.17 -3.42 0.00 0.00 -0.11 0.00 0.00 54.58 50.88 1irp n ASN 42 Cb 0.63 -0.89 0.00 0.00 1.24 0.00 0.00 39.78 40.76 1irp n ASN 42 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1irp n LEU 43 N 1.08 -0.55 -2.94 1.20 4.77 -1.26 -4.93 117.00 114.36 1irp n LEU 43 Ca 0.28 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.48 1irp n LEU 43 Cb 0.38 0.66 0.01 0.00 -2.33 0.00 0.00 43.42 42.14 1irp n LEU 43 CO 0.51 -0.54 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.24 1irp n GLU 44 N -3.03 -2.46 -0.07 3.23 -0.58 -1.26 -4.62 120.64 111.85 1irp n GLU 44 Ca 0.00 2.11 0.02 0.00 -0.42 0.00 0.00 57.16 58.87 1irp n GLU 44 Cb 0.00 -4.75 0.06 0.00 -0.57 0.00 0.00 31.44 26.18 1irp n GLU 44 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1irp n GLU 45 N 0.08 1.33 -2.31 3.49 4.07 -1.26 -4.67 120.64 121.37 1irp n GLU 45 Ca 0.05 -0.47 -0.43 0.00 -0.06 0.00 0.00 57.16 56.25 1irp n GLU 45 Cb 0.38 -1.14 -0.02 0.00 -0.06 0.00 0.00 31.44 30.59 1irp n GLU 45 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1irp s LYS 46 N -1.79 3.84 0.02 5.31 1.02 -1.26 -4.46 119.74 122.43 1irp s LYS 46 Ca 0.09 1.36 0.08 0.00 0.02 0.00 0.00 55.97 57.52 1irp s LYS 46 Cb 0.05 -3.95 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 1irp s LYS 46 CO 0.06 -1.22 -0.23 -1.50 -0.92 0.00 0.00 175.35 171.53 1irp s ILE 47 N 4.77 1.88 -0.30 2.17 -1.16 -0.84 -1.66 121.20 126.06 1irp s ILE 47 Ca 0.62 -1.19 -0.21 0.00 -0.51 0.00 0.00 60.65 59.35 1irp s ILE 47 Cb -0.19 -1.60 -0.01 0.00 0.61 0.00 0.00 42.46 41.27 1irp s ILE 47 CO 0.26 0.37 0.67 -0.62 -2.81 0.00 0.00 174.94 172.81 1irp s ASP 48 N -0.99 6.55 -0.33 4.50 2.15 -0.66 -0.54 116.67 127.36 1irp s ASP 48 Ca 0.09 0.53 -0.22 0.00 0.43 0.00 0.00 52.55 53.38 1irp s ASP 48 Cb -0.09 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1irp s ASP 48 CO 0.01 -0.50 0.73 0.54 -0.17 0.00 0.00 175.17 175.78 1irp s VAL 49 N 2.69 4.82 -0.18 1.11 0.11 -0.81 -0.42 120.40 127.73 1irp s VAL 49 Ca 0.27 0.92 -0.01 0.00 -2.93 0.00 0.00 61.98 60.24 1irp s VAL 49 Cb -0.15 -4.12 0.00 0.00 -1.53 0.00 0.00 36.38 30.58 1irp s VAL 49 CO 0.11 -0.29 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.77 1irp s VAL 50 N 2.89 2.76 0.31 2.04 1.01 -0.87 -4.69 120.40 123.86 1irp s VAL 50 Ca 0.29 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1irp s VAL 50 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1irp s VAL 50 CO 0.14 0.49 0.52 -2.16 0.00 0.00 0.00 175.10 174.10 1irp s PRO 51 N 1.07 3.51 -0.08 2.72 0.04 -1.26 -1.96 135.00 139.05 1irp s PRO 51 Ca -0.00 -0.28 -0.19 0.00 0.04 0.00 0.00 61.00 60.57 1irp s PRO 51 Cb -0.15 -2.69 -0.15 0.00 0.04 0.00 0.00 34.50 31.56 1irp s PRO 51 CO -0.03 0.20 0.71 0.97 0.04 0.00 0.00 177.00 178.88 1irp h ILE 52 N 0.98 0.88 0.00 0.56 2.10 -0.90 -3.45 117.51 117.68 1irp h ILE 52 Ca -0.49 -1.34 0.00 0.00 1.08 0.00 0.00 64.86 64.11 1irp h ILE 52 Cb 1.21 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 38.50 1irp h ILE 52 CO 0.63 0.26 0.00 -1.84 -1.08 0.00 0.00 178.15 176.12 1irp n GLU 53 N -4.84 0.00 -2.02 2.19 0.28 -1.26 -4.78 120.64 110.21 1irp n GLU 53 Ca -0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.51 1irp n GLU 53 Cb 0.26 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.13 1irp n GLU 53 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1irp n PRO 54 N -1.48 3.02 0.00 3.44 -0.04 -1.26 -4.79 135.00 133.89 1irp n PRO 54 Ca 0.00 -2.88 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 1irp n PRO 54 Cb 0.00 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.16 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 6.42 0.00 -2.16 0.54 -0.00 -1.26 -4.95 115.22 113.81 1irp n HIS 55 Ca 0.50 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.80 1irp n HIS 55 Cb 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.37 1irp n HIS 55 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1irp s ALA 56 N 0.00 3.59 0.00 1.57 0.00 -1.26 -4.27 121.76 121.38 1irp s ALA 56 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1irp s ALA 56 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1irp s ALA 56 CO 0.00 -0.61 0.00 -0.11 0.00 0.00 0.00 175.76 175.04 1irp n LEU 57 N 3.69 0.00 -4.22 0.00 7.94 -0.75 -0.34 117.00 123.33 1irp n LEU 57 Ca 0.11 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.85 1irp n LEU 57 Cb 0.42 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.29 1irp n LEU 57 CO 0.59 0.00 -0.13 0.72 -1.11 0.00 0.00 177.39 177.46 1irp s PHE 58 N 0.00 1.39 0.04 1.96 -0.71 -0.83 -0.15 117.98 119.69 1irp s PHE 58 Ca 0.00 -1.48 0.07 0.00 -1.04 0.00 0.00 56.93 54.48 1irp s PHE 58 Cb 0.00 -0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 41.23 1irp s PHE 58 CO 0.00 -0.81 -0.20 -0.51 -1.34 0.00 0.00 175.22 172.37 1irp s LEU 59 N -3.26 2.16 -0.29 -1.99 1.43 -1.05 -2.05 118.68 113.63 1irp s LEU 59 Ca 0.38 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.81 1irp s LEU 59 Cb 0.04 -0.91 0.12 0.00 0.03 0.00 0.00 46.19 45.47 1irp s LEU 59 CO 0.20 0.15 0.90 -0.83 0.23 0.00 0.00 176.35 176.99 1irp s GLY 60 N -1.12 -0.21 0.00 -3.19 0.00 -0.27 -0.30 107.32 102.22 1irp s GLY 60 Ca 0.07 2.84 0.00 0.00 0.00 0.00 0.00 44.72 47.63 1irp s GLY 60 CO 0.02 2.41 0.00 4.51 0.00 0.00 0.00 173.10 180.03 1irp n ILE 61 N 3.62 0.00 -3.27 0.90 3.06 -0.20 -1.65 119.36 121.82 1irp n ILE 61 Ca -0.18 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 59.99 1irp n ILE 61 Cb 0.58 0.00 0.01 0.00 0.54 0.00 0.00 39.64 40.76 1irp n ILE 61 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1irp n HIS 62 N 0.00 -2.68 0.00 9.51 8.25 -0.67 -0.80 115.22 128.84 1irp n HIS 62 Ca 0.00 1.01 0.00 0.00 -0.26 0.00 0.00 57.72 58.47 1irp n HIS 62 Cb 0.00 -3.79 0.00 0.00 1.12 0.00 0.00 29.99 27.32 1irp n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1irp n GLY 63 N -1.70 1.96 3.11 -1.41 0.00 -1.26 -4.65 105.19 101.24 1irp n GLY 63 Ca -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 1irp n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1irp s GLY 64 N 0.00 -1.23 -1.13 -0.02 0.00 -1.24 -5.04 107.32 98.66 1irp s GLY 64 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.76 1irp s GLY 64 CO 0.00 3.64 0.95 0.28 0.00 0.00 0.00 173.10 177.97 1irp n LYS 65 N 4.13 -4.92 -3.78 2.90 4.76 -1.22 -4.95 118.16 115.09 1irp n LYS 65 Ca 0.12 0.84 -0.37 0.00 -2.87 0.00 0.00 58.31 56.04 1irp n LYS 65 Cb 0.56 -5.80 -0.12 0.00 -1.84 0.00 0.00 35.03 27.84 1irp n LYS 65 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1irp s MET 66 N -4.98 2.39 -0.22 1.97 1.75 0.02 -1.78 119.30 118.46 1irp s MET 66 Ca 0.17 -1.43 -0.25 0.00 -1.25 0.00 0.00 55.69 52.93 1irp s MET 66 Cb -0.02 -3.47 -0.01 0.00 2.84 0.00 0.00 34.83 34.17 1irp s MET 66 CO 0.72 -0.81 0.85 0.00 -0.65 0.00 0.00 175.02 175.13 1irp s LEU 68 N 2.69 4.04 0.22 0.00 1.02 0.58 -1.44 118.68 125.79 1irp s LEU 68 Ca 0.37 0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.77 1irp s LEU 68 Cb -0.16 -3.17 -0.05 0.00 0.02 0.00 0.00 46.19 42.84 1irp s LEU 68 CO 0.09 -0.96 0.03 -0.94 0.02 0.00 0.00 176.35 174.59 1irp s SER 69 N 2.12 1.38 -0.91 2.29 1.04 -0.91 -2.51 113.70 116.20 1irp s SER 69 Ca 0.36 -1.26 -0.17 0.00 0.48 0.00 0.00 55.95 55.36 1irp s SER 69 Cb -0.11 0.10 0.16 0.00 0.10 0.00 0.00 66.02 66.27 1irp s SER 69 CO 0.23 -0.61 1.03 0.00 0.98 0.00 0.00 173.24 174.87 1irp s VAL 71 N 1.85 4.55 -0.40 0.00 0.11 -0.64 -4.05 120.40 121.82 1irp s VAL 71 Ca 0.29 0.93 -0.15 0.00 -2.93 0.00 0.00 61.98 60.11 1irp s VAL 71 Cb -0.06 -3.76 0.02 0.00 -1.53 0.00 0.00 36.38 31.04 1irp s VAL 71 CO -0.09 -0.98 0.31 -0.75 -3.33 0.00 0.00 175.10 170.26 1irp s LYS 72 N -4.86 3.05 -0.99 1.54 2.47 -1.26 -3.26 119.74 116.42 1irp s LYS 72 Ca 0.57 -0.94 -0.01 0.00 -1.56 0.00 0.00 55.97 54.03 1irp s LYS 72 Cb -0.11 -3.96 0.32 0.00 -1.46 0.00 0.00 37.83 32.62 1irp s LYS 72 CO 0.48 -0.73 1.68 0.45 0.16 0.00 0.00 175.35 177.39 1irp n SER 73 N 5.21 6.90 0.00 1.43 2.88 -0.27 -4.99 113.62 124.78 1irp n SER 73 Ca -0.11 -3.64 0.00 0.00 -1.33 0.00 0.00 58.87 53.79 1irp n SER 73 Cb 0.47 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 1irp n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1irp n GLY 74 N 0.17 1.83 0.10 0.46 0.00 -1.26 -3.59 105.19 102.90 1irp n GLY 74 Ca 0.42 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 46.15 1irp n GLY 74 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1irp h ASP 75 N 0.00 0.19 -4.36 1.61 2.03 -2.01 -3.48 116.42 110.40 1irp h ASP 75 Ca 0.00 -0.85 -0.51 0.00 -0.73 0.00 0.00 57.03 54.94 1irp h ASP 75 Cb 0.00 -0.06 0.08 0.00 -0.83 0.00 0.00 39.33 38.52 1irp h ASP 75 CO 0.00 1.34 0.39 -0.70 -1.03 0.00 0.00 179.24 179.23 1irp s GLU 76 N -2.36 3.03 -0.10 4.15 2.56 -1.24 -5.11 118.70 119.64 1irp s GLU 76 Ca -0.20 0.78 -0.04 0.00 0.00 0.00 0.00 54.97 55.51 1irp s GLU 76 Cb 0.01 -2.01 0.05 0.00 2.00 0.00 0.00 34.13 34.18 1irp s GLU 76 CO 0.72 -0.99 0.21 0.99 -0.56 0.00 0.00 175.26 175.63 1irp s THR 77 N -3.15 -0.21 0.31 -1.70 2.01 -1.26 -1.12 115.64 110.52 1irp s THR 77 Ca 0.57 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.86 1irp s THR 77 Cb -0.13 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 1irp s THR 77 CO 0.54 0.11 0.08 -0.60 -0.69 0.00 0.00 174.62 174.06 1irp s ARG 78 N 1.88 1.60 -0.06 4.92 6.06 -1.20 -4.90 118.95 127.24 1irp s ARG 78 Ca -0.03 -1.89 -0.30 0.00 -2.50 0.00 0.00 55.73 51.01 1irp s ARG 78 Cb -0.12 -0.60 -0.04 0.00 0.06 0.00 0.00 34.95 34.26 1irp s ARG 78 CO -0.07 -0.27 1.30 -1.17 -2.50 0.00 0.00 175.30 172.59 1irp s LEU 79 N -3.44 4.27 0.01 -0.88 2.96 -1.26 -1.62 118.68 118.73 1irp s LEU 79 Ca 0.35 1.90 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 1irp s LEU 79 Cb 0.08 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.20 1irp s LEU 79 CO 0.15 -0.68 -0.02 -1.58 -1.32 0.00 0.00 176.35 172.90 1irp s GLN 80 N 2.61 0.23 -1.06 1.98 2.00 -0.86 -4.96 119.66 119.60 1irp s GLN 80 Ca 0.59 -0.43 -0.12 0.00 -2.00 0.00 0.00 55.36 53.40 1irp s GLN 80 Cb -0.27 0.05 0.22 0.00 0.80 0.00 0.00 33.01 33.82 1irp s GLN 80 CO 0.22 -0.03 1.13 -0.48 -0.50 0.00 0.00 175.29 175.63 1irp s LEU 81 N -1.00 5.95 0.20 3.68 -0.00 -1.26 -2.13 118.68 124.12 1irp s LEU 81 Ca -0.11 -3.09 -0.30 0.00 -0.00 0.00 0.00 54.13 50.64 1irp s LEU 81 Cb -0.07 -2.28 -0.08 0.00 -0.00 0.00 0.00 46.19 43.76 1irp s LEU 81 CO -0.01 -0.55 0.93 -1.83 -0.00 0.00 0.00 176.35 174.90 1irp s GLU 82 N 0.20 4.80 -0.52 1.48 -1.05 -0.52 -4.70 118.70 118.39 1irp s GLU 82 Ca 0.32 1.46 -0.28 0.00 -0.15 0.00 0.00 54.97 56.31 1irp s GLU 82 Cb -0.08 -3.30 0.02 0.00 -0.44 0.00 0.00 34.13 30.33 1irp s GLU 82 CO -0.06 0.45 1.30 0.00 0.95 0.00 0.00 175.26 177.90 1irp s ALA 83 N -0.90 2.97 -0.51 -0.84 0.00 -1.26 -0.67 121.76 120.53 1irp s ALA 83 Ca 0.42 -0.58 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 1irp s ALA 83 Cb -0.25 -4.02 0.04 0.00 0.00 0.00 0.00 23.12 18.89 1irp s ALA 83 CO 0.31 -2.64 0.78 0.54 0.00 0.00 0.00 175.76 174.75 1irp s VAL 84 N 5.35 4.64 -0.24 0.00 0.11 -0.73 -4.96 120.40 124.57 1irp s VAL 84 Ca 0.51 -0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.52 1irp s VAL 84 Cb -0.10 -4.40 0.09 0.00 -1.53 0.00 0.00 36.38 30.45 1irp s VAL 84 CO 0.28 -0.91 2.30 -0.46 -3.33 0.00 0.00 175.10 172.98 1irp n ASN 85 N 6.79 6.10 -3.66 3.54 6.94 -1.26 -4.80 115.26 128.91 1irp n ASN 85 Ca -0.02 -2.88 -0.06 0.00 -0.02 0.00 0.00 54.58 51.60 1irp n ASN 85 Cb 0.47 -1.14 -0.08 0.00 -2.36 0.00 0.00 39.78 36.67 1irp n ASN 85 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1irp s ILE 86 N -1.44 -0.58 -0.22 1.53 1.10 -1.26 -5.06 121.20 115.27 1irp s ILE 86 Ca 0.32 0.08 0.19 0.00 -0.51 0.00 0.00 60.65 60.73 1irp s ILE 86 Cb 0.22 -0.81 0.03 0.00 0.15 0.00 0.00 42.46 42.04 1irp s ILE 86 CO -0.04 0.03 1.15 0.00 -2.11 0.00 0.00 174.94 173.98 1irp h THR 87 N 5.85 0.33 0.06 4.00 1.03 -2.03 -3.40 112.91 118.75 1irp h THR 87 Ca -0.22 -1.56 -0.17 0.00 -0.01 0.00 0.00 66.41 64.45 1irp h THR 87 Cb 1.13 1.94 0.02 0.00 -1.07 0.00 0.00 68.15 70.17 1irp h THR 87 CO 0.15 0.19 -0.72 0.44 -0.01 0.00 0.00 175.52 175.57 1irp h ASP 88 N 0.00 0.53 -2.95 0.00 5.19 -1.99 -3.43 116.42 113.77 1irp h ASP 88 Ca -0.05 -0.83 -0.60 0.00 -0.62 0.00 0.00 57.03 54.93 1irp h ASP 88 Cb 1.26 -0.17 -0.12 0.00 0.18 0.00 0.00 39.33 40.49 1irp h ASP 88 CO 0.03 1.31 0.68 -0.76 -3.12 0.00 0.00 179.24 177.37 1irp s LEU 89 N -8.15 3.97 -0.07 1.55 1.02 -1.26 -4.99 118.68 110.75 1irp s LEU 89 Ca -0.13 -0.47 -0.03 0.00 0.02 0.00 0.00 54.13 53.52 1irp s LEU 89 Cb 0.03 -2.73 0.04 0.00 0.02 0.00 0.00 46.19 43.55 1irp s LEU 89 CO 0.83 -1.39 0.07 -0.55 0.02 0.00 0.00 176.35 175.33 1irp s SER 90 N 3.19 1.34 -0.07 2.29 0.15 -1.26 -5.00 113.70 114.34 1irp s SER 90 Ca 0.30 -0.03 -0.30 0.00 0.70 0.00 0.00 55.95 56.62 1irp s SER 90 Cb -0.12 -0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1irp s SER 90 CO 0.17 -0.27 1.07 -1.61 1.20 0.00 0.00 173.24 173.80 1irp s GLU 91 N 2.18 4.42 -0.00 5.44 8.01 -1.26 -4.97 118.70 132.50 1irp s GLU 91 Ca 0.04 1.49 -0.10 0.00 0.01 0.00 0.00 54.97 56.42 1irp s GLU 91 Cb -0.13 -3.53 -0.31 0.00 -4.31 0.00 0.00 34.13 25.85 1irp s GLU 91 CO -0.04 -0.32 0.84 -0.97 0.01 0.00 0.00 175.26 174.78 1irp h ASN 92 N 7.15 0.61 0.00 -0.19 -0.73 -1.95 -3.46 115.58 117.01 1irp h ASN 92 Ca -0.33 -0.80 0.00 0.00 1.87 0.00 0.00 56.30 57.04 1irp h ASN 92 Cb 1.16 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.55 1irp h ASN 92 CO 0.85 1.65 0.00 0.54 -0.37 0.00 0.00 177.43 180.10 1irp n ARG 93 N -3.59 0.00 -1.00 6.67 1.74 -1.26 -4.53 116.66 114.69 1irp n ARG 93 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1irp n ARG 93 Cb 1.07 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 32.30 1irp n ARG 93 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1irp n LYS 94 N -3.01 -2.69 -2.40 5.56 4.81 -1.26 -4.74 118.16 114.42 1irp n LYS 94 Ca 0.00 2.07 -0.24 0.00 -0.87 0.00 0.00 58.31 59.27 1irp n LYS 94 Cb 0.00 -2.52 0.08 0.00 0.02 0.00 0.00 35.03 32.60 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 -4.81 2.08 -0.46 1.64 -0.21 -1.26 -5.03 119.66 111.61 1irp s GLN 95 Ca 0.00 -0.62 -0.28 0.00 0.02 0.00 0.00 55.36 54.48 1irp s GLN 95 Cb 0.00 -2.28 0.01 0.00 1.00 0.00 0.00 33.01 31.74 1irp s GLN 95 CO 0.00 -1.20 1.45 0.34 -2.12 0.00 0.00 175.29 173.75 1irp s ASP 96 N -4.56 6.22 0.28 5.90 -1.08 -1.26 -4.92 116.67 117.25 1irp s ASP 96 Ca 0.62 0.67 -0.09 0.00 -0.52 0.00 0.00 52.55 53.23 1irp s ASP 96 Cb -0.09 -2.54 -0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1irp s ASP 96 CO 0.43 -1.56 0.46 -0.54 0.52 0.00 0.00 175.17 174.49 1irp s LYS 97 N 5.21 1.66 -1.22 4.34 -0.14 -1.26 -5.00 119.74 123.32 1irp s LYS 97 Ca 0.60 -1.44 -0.21 0.00 -1.36 0.00 0.00 55.97 53.56 1irp s LYS 97 Cb -0.13 0.45 -0.03 0.00 -1.68 0.00 0.00 37.83 36.44 1irp s LYS 97 CO 0.30 -0.69 1.86 1.03 -0.76 0.00 0.00 175.35 177.10 1irp s ARG 98 N -3.66 3.01 0.00 1.68 0.52 -1.26 -3.64 118.95 115.59 1irp s ARG 98 Ca 0.26 -1.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 1irp s ARG 98 Cb -0.00 -5.34 0.00 0.00 0.52 0.00 0.00 34.95 30.13 1irp s ARG 98 CO 0.13 -3.38 0.00 1.19 0.02 0.00 0.00 175.30 173.25 1irp n PHE 99 N 12.32 0.00 -3.78 -0.53 3.72 -1.26 -4.34 117.46 123.60 1irp n PHE 99 Ca 0.46 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.61 1irp n PHE 99 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1irp n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1irp s ALA 100 N -0.06 4.47 -0.03 4.37 0.00 -0.69 -4.22 121.76 125.60 1irp s ALA 100 Ca 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.54 1irp s ALA 100 Cb 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1irp s ALA 100 CO 0.00 -0.50 0.11 -0.06 0.00 0.00 0.00 175.76 175.31 1irp s PHE 101 N -2.76 -0.07 -0.42 0.00 0.08 0.79 -1.67 117.98 113.92 1irp s PHE 101 Ca 0.38 0.18 -0.16 0.00 0.12 0.00 0.00 56.93 57.45 1irp s PHE 101 Cb -0.03 0.01 0.02 0.00 -0.57 0.00 0.00 43.02 42.46 1irp s PHE 101 CO 0.23 -0.11 0.39 0.42 -0.10 0.00 0.00 175.22 176.05 1irp s ILE 102 N -0.29 5.16 -0.89 0.64 -1.09 -0.90 -1.80 121.20 122.03 1irp s ILE 102 Ca -0.04 -0.51 -0.21 0.00 -2.23 0.00 0.00 60.65 57.66 1irp s ILE 102 Cb -0.03 -4.01 0.09 0.00 -1.58 0.00 0.00 42.46 36.94 1irp s ILE 102 CO 0.00 -0.40 1.18 -0.13 -1.23 0.00 0.00 174.94 174.37 1irp s ARG 103 N 1.94 3.48 -1.33 2.79 0.52 -1.26 -1.49 118.95 123.60 1irp s ARG 103 Ca 0.09 -1.33 -0.14 0.00 -0.52 0.00 0.00 55.73 53.83 1irp s ARG 103 Cb -0.18 -4.85 0.11 0.00 0.52 0.00 0.00 34.95 30.55 1irp s ARG 103 CO 0.12 -1.91 1.86 0.45 0.02 0.00 0.00 175.30 175.84 1irp n SER 104 N 7.52 4.71 -4.57 0.23 2.88 -0.89 -4.81 113.62 118.70 1irp n SER 104 Ca 0.19 -2.96 -0.41 0.00 -1.33 0.00 0.00 58.87 54.36 1irp n SER 104 Cb 0.49 -1.62 -0.03 0.00 -0.75 0.00 0.00 64.21 62.30 1irp n SER 104 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1irp s ASP 105 N 2.81 6.14 -1.23 -3.46 1.11 -1.26 -3.69 116.67 117.09 1irp s ASP 105 Ca 0.46 0.19 -0.08 0.00 0.18 0.00 0.00 52.55 53.30 1irp s ASP 105 Cb 0.07 -2.55 0.20 0.00 1.07 0.00 0.00 42.92 41.71 1irp s ASP 105 CO -0.00 -1.72 1.82 -1.20 1.18 0.00 0.00 175.17 175.25 1irp n SER 106 N 9.52 5.66 0.00 0.27 7.64 -0.13 -4.94 113.62 131.64 1irp n SER 106 Ca 0.11 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 56.79 1irp n SER 106 Cb 0.49 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 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 2.30 1.68 0.22 0.23 0.00 -1.26 -4.02 105.19 104.34 1irp n GLY 107 Ca 0.38 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1irp n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1irp h PRO 108 N 0.00 0.00 -6.33 1.61 0.13 -1.98 -3.47 132.00 121.96 1irp h PRO 108 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 1irp h PRO 108 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 1irp h PRO 108 CO 0.00 0.00 -0.85 0.95 -0.23 0.00 0.00 178.00 177.87 1irp s THR 109 N -3.25 1.84 0.29 1.56 -4.23 -1.26 -3.33 115.64 107.27 1irp s THR 109 Ca 0.07 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1irp s THR 109 Cb 0.06 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.31 1irp s THR 109 CO 0.65 0.25 0.00 1.07 -0.54 0.00 0.00 174.62 176.05 1irp n THR 110 N 1.78 0.00 -3.72 3.99 5.66 0.89 -0.96 114.28 121.93 1irp n THR 110 Ca -0.17 -1.38 -0.13 0.00 -3.05 0.00 0.00 64.05 59.32 1irp n THR 110 Cb 0.53 0.28 -0.10 0.00 -1.55 0.00 0.00 70.33 69.49 1irp n THR 110 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1irp s SER 111 N -2.60 -0.47 -0.41 1.09 0.01 -1.24 -2.17 113.70 107.90 1irp s SER 111 Ca 0.00 0.91 -0.06 0.00 1.31 0.00 0.00 55.95 58.11 1irp s SER 111 Cb -0.00 0.92 0.10 0.00 0.21 0.00 0.00 66.02 67.25 1irp s SER 111 CO 0.00 -0.17 0.23 -0.36 0.41 0.00 0.00 173.24 173.35 1irp s PHE 112 N 0.21 3.47 0.55 2.43 0.40 -1.04 -2.09 117.98 121.91 1irp s PHE 112 Ca -0.00 -2.05 -0.18 0.00 -0.60 0.00 0.00 56.93 54.10 1irp s PHE 112 Cb -0.03 -3.12 -0.06 0.00 0.51 0.00 0.00 43.02 40.32 1irp s PHE 112 CO 0.01 -0.93 1.07 -2.00 0.70 0.00 0.00 175.22 174.06 1irp s GLU 113 N 1.26 3.47 0.02 0.44 2.56 -0.56 -0.64 118.70 125.25 1irp s GLU 113 Ca 0.05 1.37 0.05 0.00 0.00 0.00 0.00 54.97 56.44 1irp s GLU 113 Cb -0.23 -2.04 -0.02 0.00 2.00 0.00 0.00 34.13 33.84 1irp s GLU 113 CO -0.02 -0.71 -0.15 0.45 -0.56 0.00 0.00 175.26 174.27 1irp s SER 114 N -2.24 1.81 0.00 -1.70 0.15 -0.48 -2.13 113.70 109.11 1irp s SER 114 Ca 0.67 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1irp s SER 114 Cb -0.18 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1irp s SER 114 CO 0.28 0.12 0.00 0.00 1.20 0.00 0.00 173.24 174.84 1irp n ALA 115 N 2.25 0.00 -0.62 5.45 0.00 -0.67 -1.93 120.51 124.99 1irp n ALA 115 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1irp n ALA 115 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1irp n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp n ALA 116 N 1.42 0.00 -0.17 0.00 0.00 -1.26 -1.71 120.51 118.79 1irp n ALA 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1irp n ALA 116 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1irp n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp s PRO 118 N -0.99 -0.23 0.00 0.00 0.04 -1.26 -4.88 135.00 127.68 1irp s PRO 118 Ca 0.00 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.61 1irp s PRO 118 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1irp s PRO 118 CO 0.00 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 174.46 1irp n GLY 119 N -3.01 1.42 3.23 0.56 0.00 -1.24 -4.24 105.19 101.91 1irp n GLY 119 Ca 0.16 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 1irp n GLY 119 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1irp s TRP 120 N 0.00 0.98 -0.21 1.61 0.52 -0.81 -5.00 118.94 116.02 1irp s TRP 120 Ca 0.00 -1.25 0.02 0.00 0.02 0.00 0.00 56.10 54.88 1irp s TRP 120 Cb 0.00 -0.45 0.04 0.00 -1.15 0.00 0.00 33.47 31.91 1irp s TRP 120 CO 0.00 -0.65 -0.14 -0.06 0.02 0.00 0.00 176.95 176.12 1irp s PHE 121 N -4.11 2.84 0.00 -1.98 0.08 0.33 -1.39 117.98 113.75 1irp s PHE 121 Ca 0.33 -1.87 0.00 0.00 0.12 0.00 0.00 56.93 55.51 1irp s PHE 121 Cb 0.06 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 1irp s PHE 121 CO 0.09 -0.81 0.00 1.47 -0.10 0.00 0.00 175.22 175.86 1irp n LEU 122 N 4.57 0.00 0.00 -0.37 -0.00 0.18 -1.11 117.00 120.27 1irp n LEU 122 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1irp n LEU 122 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1irp n LEU 122 CO 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.62 1irp s THR 124 N 0.96 0.00 0.50 0.00 2.01 -0.95 -1.38 115.64 116.79 1irp s THR 124 Ca 0.00 -0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.75 1irp s THR 124 Cb 0.00 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.46 1irp s THR 124 CO 0.00 -0.01 1.34 0.00 -0.69 0.00 0.00 174.62 175.27 1irp n ALA 125 N 1.34 1.59 -0.04 7.40 0.00 -0.84 -0.73 120.51 129.23 1irp n ALA 125 Ca -0.18 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1irp n ALA 125 Cb 0.57 -2.34 -0.11 0.00 0.00 0.00 0.00 19.45 17.57 1irp n ALA 125 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1irp h MET 126 N 1.75 0.02 -6.15 0.00 4.05 -1.92 -3.43 114.93 109.24 1irp h MET 126 Ca -0.50 -0.02 -0.55 0.00 -0.28 0.00 0.00 59.70 58.35 1irp h MET 126 Cb 1.30 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.07 1irp h MET 126 CO 0.58 0.73 -0.25 -1.21 0.23 0.00 0.00 176.91 176.99 1irp s GLU 127 N -3.36 2.30 -0.28 0.39 0.41 -1.26 -4.73 118.70 112.17 1irp s GLU 127 Ca -0.17 -1.87 -0.02 0.00 -0.41 0.00 0.00 54.97 52.50 1irp s GLU 127 Cb -0.00 -2.27 -0.03 0.00 -1.78 0.00 0.00 34.13 30.04 1irp s GLU 127 CO 0.69 -0.64 1.38 0.00 -0.49 0.00 0.00 175.26 176.19 1irp n ALA 128 N -1.87 2.38 0.00 5.21 0.00 -1.25 -4.07 120.51 120.91 1irp n ALA 128 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1irp n ALA 128 Cb 0.63 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1irp n ALA 128 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1irp n ASP 129 N 4.29 0.00 -4.92 0.00 5.75 -1.26 -4.21 116.55 116.20 1irp n ASP 129 Ca 0.16 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.67 1irp n ASP 129 Cb 0.08 0.37 0.02 0.00 -1.03 0.00 0.00 41.12 40.57 1irp n ASP 129 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1irp s GLN 130 N -1.78 3.16 0.00 0.11 -0.21 -1.26 -4.74 119.66 114.94 1irp s GLN 130 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.40 1irp s GLN 130 Cb 0.00 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.67 1irp s GLN 130 CO 0.00 -0.47 0.00 -0.35 -2.12 0.00 0.00 175.29 172.35 1irp n PRO 131 N -2.41 1.71 -1.81 2.91 -0.04 -1.26 -1.49 135.00 132.60 1irp n PRO 131 Ca 0.03 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.07 1irp n PRO 131 Cb 0.57 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 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 1.28 2.13 -0.12 0.52 0.11 -0.77 -1.98 120.40 121.56 1irp s VAL 132 Ca 0.00 0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1irp s VAL 132 Cb 0.00 -3.07 0.04 0.00 -1.53 0.00 0.00 36.38 31.82 1irp s VAL 132 CO 0.00 0.02 0.02 -0.94 -3.33 0.00 0.00 175.10 170.87 1irp s SER 133 N 0.33 2.14 -0.74 3.54 1.04 -0.48 -4.80 113.70 114.73 1irp s SER 133 Ca 0.60 -0.39 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 1irp s SER 133 Cb -0.47 -0.50 0.12 0.00 0.10 0.00 0.00 66.02 65.27 1irp s SER 133 CO 0.51 -0.24 0.90 -0.76 0.98 0.00 0.00 173.24 174.63 1irp s LEU 134 N 1.93 5.22 0.70 2.42 1.43 -1.26 -0.77 118.68 128.35 1irp s LEU 134 Ca 0.03 -1.67 -0.04 0.00 -1.03 0.00 0.00 54.13 51.42 1irp s LEU 134 Cb -0.14 -2.35 0.10 0.00 0.03 0.00 0.00 46.19 43.82 1irp s LEU 134 CO -0.07 -1.11 0.98 0.42 0.23 0.00 0.00 176.35 176.81 1irp s THR 135 N 2.71 2.28 -0.58 5.49 -4.23 -0.27 -4.38 115.64 116.66 1irp s THR 135 Ca 0.21 -0.46 0.24 0.00 -1.18 0.00 0.00 61.69 60.50 1irp s THR 135 Cb -0.15 -2.82 0.11 0.00 1.34 0.00 0.00 72.50 70.98 1irp s THR 135 CO 0.00 0.00 1.38 -0.55 -0.54 0.00 0.00 174.62 174.92 1irp h ASN 136 N -0.53 0.00 -4.03 3.99 -1.07 -1.95 0.95 115.58 112.94 1irp h ASN 136 Ca -0.41 -0.12 -0.35 0.00 0.07 0.00 0.00 56.30 55.49 1irp h ASN 136 Cb 1.28 0.00 -0.16 0.00 -2.07 0.00 0.00 38.32 37.37 1irp h ASN 136 CO 0.48 0.06 -0.73 -0.04 0.07 0.00 0.00 177.43 177.28 1irp s MET 137 N -3.19 1.02 0.00 4.14 -1.94 -1.26 -4.94 119.30 113.13 1irp s MET 137 Ca 0.06 -1.36 0.00 0.00 -1.71 0.00 0.00 55.69 52.68 1irp s MET 137 Cb 0.12 -0.68 0.00 0.00 2.01 0.00 0.00 34.83 36.28 1irp s MET 137 CO 0.71 0.10 0.00 -0.35 -0.01 0.00 0.00 175.02 175.47 1irp n PRO 138 N 0.08 -0.34 -1.53 2.03 -0.04 -1.26 -4.91 135.00 129.04 1irp n PRO 138 Ca -0.12 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.93 1irp n PRO 138 Cb 0.59 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.04 1irp n PRO 138 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1irp n ASP 139 N -2.59 5.89 -3.19 3.54 2.03 -1.26 -4.70 116.55 116.27 1irp n ASP 139 Ca 0.00 -2.72 -0.40 0.00 0.52 0.00 0.00 54.79 52.20 1irp n ASP 139 Cb 0.00 -1.60 0.03 0.00 -0.72 0.00 0.00 41.12 38.83 1irp n ASP 139 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1irp n GLU 140 N 5.05 3.87 -2.24 -0.67 0.28 -1.26 -4.76 120.64 120.90 1irp n GLU 140 Ca 0.63 -4.05 -0.06 0.00 -0.16 0.00 0.00 57.16 53.52 1irp n GLU 140 Cb 0.32 -2.35 0.03 0.00 1.43 0.00 0.00 31.44 30.87 1irp n GLU 140 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1irp n GLY 141 N -0.34 0.13 0.41 -1.84 0.00 -1.26 -5.06 105.19 97.24 1irp n GLY 141 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.16 0.00 -3.72 1.61 3.14 -1.26 -5.18 118.33 110.76 1irp n VAL 142 Ca -0.04 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.32 1irp n VAL 142 Cb 0.55 -0.59 -0.00 0.00 -1.06 0.00 0.00 33.84 32.74 1irp n VAL 142 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1irp n MET 143 N -1.54 0.05 -3.03 1.45 2.81 -1.26 -4.97 117.12 110.62 1irp n MET 143 Ca 0.00 -0.21 -0.45 0.00 -1.81 0.00 0.00 57.70 55.23 1irp n MET 143 Cb 0.00 0.20 -0.02 0.00 -0.71 0.00 0.00 33.22 32.68 1irp n MET 143 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1irp s VAL 144 N -2.36 4.94 -0.74 2.03 1.01 0.09 -4.84 120.40 120.54 1irp s VAL 144 Ca 0.02 -1.75 -0.00 0.00 0.00 0.00 0.00 61.98 60.24 1irp s VAL 144 Cb -0.00 -4.69 0.38 0.00 0.00 0.00 0.00 36.38 32.07 1irp s VAL 144 CO 0.02 -1.38 1.83 1.07 0.00 0.00 0.00 175.10 176.64 1irp n THR 145 N 5.13 3.34 -2.94 3.92 5.66 -1.26 -2.23 114.28 125.89 1irp n THR 145 Ca 0.20 -4.28 -0.12 0.00 -3.05 0.00 0.00 64.05 56.80 1irp n THR 145 Cb 0.48 -1.23 -0.01 0.00 -1.55 0.00 0.00 70.33 68.02 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 -0.57 0.55 -5.17 1.09 0.00 -1.16 -4.45 118.16 108.45 1irp n LYS 146 Ca 0.52 -2.34 -0.29 0.00 -0.00 0.00 0.00 58.31 56.19 1irp n LYS 146 Cb 0.38 -1.48 -0.16 0.00 -0.00 0.00 0.00 35.03 33.78 1irp n LYS 146 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1irp s PHE 147 N 0.39 2.11 0.17 5.58 -0.71 -0.92 -4.83 117.98 119.78 1irp s PHE 147 Ca 0.32 -0.40 -0.30 0.00 -1.04 0.00 0.00 56.93 55.51 1irp s PHE 147 Cb 0.09 -1.36 -0.07 0.00 -1.21 0.00 0.00 43.02 40.47 1irp s PHE 147 CO -0.14 -0.04 1.08 -0.47 -1.34 0.00 0.00 175.22 174.32 1irp s TYR 148 N -0.56 3.63 -0.33 3.49 6.14 0.59 -0.07 117.35 130.23 1irp s TYR 148 Ca 0.09 1.63 -0.13 0.00 0.64 0.00 0.00 57.07 59.30 1irp s TYR 148 Cb -0.09 -3.24 -0.02 0.00 0.42 0.00 0.00 41.96 39.02 1irp s TYR 148 CO -0.01 -0.50 0.25 0.12 0.64 0.00 0.00 175.55 176.05 1irp s PHE 149 N -0.23 3.23 0.03 4.97 5.36 -1.21 -1.77 117.98 128.35 1irp s PHE 149 Ca 0.49 -0.13 0.08 0.00 -0.96 0.00 0.00 56.93 56.41 1irp s PHE 149 Cb -0.29 -2.49 -0.02 0.00 -0.34 0.00 0.00 43.02 39.88 1irp s PHE 149 CO 0.34 -0.34 -0.22 -0.65 -1.46 0.00 0.00 175.22 172.89 1irp s GLN 150 N 1.77 1.59 0.12 10.12 -1.52 -0.40 -5.04 119.66 126.30 1irp s GLN 150 Ca 0.07 -0.93 0.06 0.00 -1.95 0.00 0.00 55.36 52.61 1irp s GLN 150 Cb -0.17 -1.67 -0.04 0.00 -0.22 0.00 0.00 33.01 30.91 1irp s GLN 150 CO 0.11 0.44 -0.05 -2.00 -0.25 0.00 0.00 175.29 173.54 1irp s GLU 151 N -1.00 2.32 5.72 2.91 2.12 -1.26 -0.70 118.70 128.82 1irp s GLU 151 Ca 0.09 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.43 1irp s GLU 151 Cb -0.09 -2.39 0.00 0.00 0.26 0.00 0.00 34.13 31.91 1irp s GLU 151 CO 0.01 0.51 0.00 -0.25 -0.54 0.00 0.00 175.26 174.99 1irp n ASP 152 N 0.47 0.00 -0.27 -1.70 8.00 0.72 -4.94 116.55 118.83 1irp n ASP 152 Ca -0.12 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.42 1irp n ASP 152 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.66 1irp n ASP 152 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19