#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 -0.44 2.12 1.85 -1.26 -4.89 116.66 114.04 1irp n ARG 2 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 1irp n ARG 2 Cb 0.00 0.00 0.20 0.00 -1.05 0.00 0.00 32.46 31.61 1irp n ARG 2 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1irp n PRO 3 N 0.00 -3.04 -3.73 2.89 -0.02 -1.26 -5.02 135.00 124.81 1irp n PRO 3 Ca 0.00 -0.90 -0.13 0.00 -2.02 0.00 0.00 63.50 60.45 1irp n PRO 3 Cb 0.00 -1.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 1irp n PRO 3 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1irp s SER 4 N -2.31 -0.38 0.00 2.55 1.04 -1.26 -4.98 113.70 108.36 1irp s SER 4 Ca 0.46 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1irp s SER 4 Cb -0.09 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1irp s SER 4 CO 0.42 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1irp n GLY 5 N 2.48 0.07 3.58 7.32 0.00 -1.26 -4.96 105.19 112.42 1irp n GLY 5 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 3.41 -1.02 1.61 3.00 -1.26 -4.71 118.95 119.98 1irp s ARG 6 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 55.73 55.21 1irp s ARG 6 Cb 0.00 -2.88 -0.06 0.00 0.00 0.00 0.00 34.95 32.01 1irp s ARG 6 CO 0.00 0.43 0.89 1.63 0.00 0.00 0.00 175.30 178.25 1irp n LYS 7 N 2.98 -2.50 -1.25 3.54 5.02 -1.26 -4.81 118.16 119.88 1irp n LYS 7 Ca -0.18 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1irp n LYS 7 Cb 0.53 -5.68 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 1irp n LYS 7 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1irp n SER 8 N -3.15 -6.97 -4.58 4.39 7.64 -1.26 -4.92 113.62 104.76 1irp n SER 8 Ca -0.08 0.98 -0.42 0.00 1.01 0.00 0.00 58.87 60.36 1irp n SER 8 Cb 0.62 -3.55 -0.06 0.00 -1.01 0.00 0.00 64.21 60.20 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 -3.13 6.48 -0.69 6.43 0.01 -1.26 -4.65 113.70 116.89 1irp s SER 9 Ca 0.00 0.30 -0.04 0.00 1.31 0.00 0.00 55.95 57.52 1irp s SER 9 Cb 0.00 -2.34 0.18 0.00 0.21 0.00 0.00 66.02 64.07 1irp s SER 9 CO 0.00 -0.58 0.53 -0.54 0.41 0.00 0.00 173.24 173.07 1irp s LYS 10 N 2.74 2.80 -0.28 12.44 1.02 -1.26 -5.02 119.74 132.18 1irp s LYS 10 Ca 0.26 -2.66 -0.16 0.00 0.02 0.00 0.00 55.97 53.43 1irp s LYS 10 Cb -0.14 -3.84 0.09 0.00 -0.52 0.00 0.00 37.83 33.41 1irp s LYS 10 CO 0.14 -1.20 0.72 1.41 -0.92 0.00 0.00 175.35 175.50 1irp s MET 11 N -0.28 0.68 0.03 1.68 1.75 -1.26 -4.93 119.30 116.97 1irp s MET 11 Ca 0.19 1.17 -0.26 0.00 -1.25 0.00 0.00 55.69 55.54 1irp s MET 11 Cb -0.17 0.14 -0.05 0.00 2.84 0.00 0.00 34.83 37.58 1irp s MET 11 CO -0.05 -0.14 0.80 -0.65 -0.65 0.00 0.00 175.02 174.32 1irp s GLN 12 N 1.60 4.52 -0.41 4.11 -0.21 -1.25 -4.99 119.66 123.03 1irp s GLN 12 Ca -0.10 1.12 -0.15 0.00 0.02 0.00 0.00 55.36 56.25 1irp s GLN 12 Cb -0.05 -3.38 0.02 0.00 1.00 0.00 0.00 33.01 30.60 1irp s GLN 12 CO -0.19 0.22 0.29 0.00 -2.12 0.00 0.00 175.29 173.49 1irp s ALA 13 N 0.15 3.46 0.04 6.09 0.00 -1.25 -1.95 121.76 128.29 1irp s ALA 13 Ca 0.40 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.67 1irp s ALA 13 Cb -0.20 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1irp s ALA 13 CO 0.24 -1.44 -0.06 0.12 0.00 0.00 0.00 175.76 174.61 1irp s PHE 14 N 1.67 0.56 0.05 0.00 2.19 -0.20 -0.06 117.98 122.19 1irp s PHE 14 Ca 0.05 -0.50 0.02 0.00 0.33 0.00 0.00 56.93 56.82 1irp s PHE 14 Cb -0.19 -0.34 -0.03 0.00 -1.31 0.00 0.00 43.02 41.15 1irp s PHE 14 CO 0.10 -0.11 -0.06 -0.98 1.83 0.00 0.00 175.22 175.99 1irp s ARG 15 N -1.52 0.55 -0.14 10.12 3.03 -0.26 -2.08 118.95 128.65 1irp s ARG 15 Ca -0.11 -0.87 0.01 0.00 2.03 0.00 0.00 55.73 56.78 1irp s ARG 15 Cb -0.10 -0.18 -0.00 0.00 -1.03 0.00 0.00 34.95 33.64 1irp s ARG 15 CO 0.00 0.01 -0.16 0.96 -1.13 0.00 0.00 175.30 174.98 1irp s ILE 16 N -1.97 2.59 0.00 4.99 -0.00 -1.26 -2.00 121.20 123.55 1irp s ILE 16 Ca -0.06 -0.80 -0.00 0.00 -0.00 0.00 0.00 60.65 59.79 1irp s ILE 16 Cb -0.06 -2.08 0.00 0.00 -0.00 0.00 0.00 42.46 40.32 1irp s ILE 16 CO -0.01 0.52 0.00 -2.67 -0.00 0.00 0.00 174.94 172.78 1irp n TRP 17 N 3.94 -0.63 -3.72 1.37 4.27 -0.48 -1.95 117.44 120.24 1irp n TRP 17 Ca -0.19 -0.02 -0.14 0.00 -3.89 0.00 0.00 57.50 53.26 1irp n TRP 17 Cb 0.52 0.01 -0.08 0.00 -1.36 0.00 0.00 31.31 30.39 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 -1.02 -0.30 0.64 -0.67 1.47 -0.82 -0.44 116.67 115.54 1irp s ASP 18 Ca 0.00 0.29 0.41 0.00 1.18 0.00 0.00 52.55 54.43 1irp s ASP 18 Cb -0.00 0.43 2.21 0.00 -0.34 0.00 0.00 42.92 45.22 1irp s ASP 18 CO 0.00 -0.42 2.31 0.58 0.68 0.00 0.00 175.17 178.32 1irp h VAL 19 N 3.84 0.11 -0.17 2.11 2.07 -1.93 -2.16 116.25 120.13 1irp h VAL 19 Ca -0.29 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1irp h VAL 19 Cb 1.17 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 1irp h VAL 19 CO 0.37 0.01 0.13 0.59 0.02 0.00 0.00 177.57 178.69 1irp n ASN 20 N -3.23 4.40 -2.05 0.57 4.13 -1.26 -4.82 115.26 113.00 1irp n ASN 20 Ca -0.03 -2.46 -0.01 0.00 1.68 0.00 0.00 54.58 53.77 1irp n ASN 20 Cb 0.10 -0.82 0.01 0.00 -1.54 0.00 0.00 39.78 37.52 1irp n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1irp n GLN 21 N 0.64 -0.52 -3.79 3.52 6.02 -1.18 -5.05 117.38 117.03 1irp n GLN 21 Ca 0.11 0.73 -0.10 0.00 -0.01 0.00 0.00 57.00 57.72 1irp n GLN 21 Cb 0.62 -2.98 -0.07 0.00 1.02 0.00 0.00 30.24 28.82 1irp n GLN 21 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1irp s LYS 22 N -3.10 0.82 -0.20 -1.09 1.02 -0.82 -4.20 119.74 112.17 1irp s LYS 22 Ca 0.03 -0.67 -0.15 0.00 0.02 0.00 0.00 55.97 55.20 1irp s LYS 22 Cb -0.00 0.35 0.06 0.00 -0.52 0.00 0.00 37.83 37.71 1irp s LYS 22 CO 0.26 -0.27 0.51 0.95 -0.92 0.00 0.00 175.35 175.88 1irp s THR 23 N -3.03 -0.01 -0.05 2.17 -4.23 0.28 -1.94 115.64 108.84 1irp s THR 23 Ca -0.02 0.02 -0.22 0.00 -1.18 0.00 0.00 61.69 60.30 1irp s THR 23 Cb 0.01 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 1irp s THR 23 CO -0.06 0.01 0.64 -0.36 -0.54 0.00 0.00 174.62 174.31 1irp s PHE 24 N 0.74 3.60 -0.27 3.99 0.40 -0.82 -0.67 117.98 124.94 1irp s PHE 24 Ca -0.04 1.19 -0.25 0.00 -0.60 0.00 0.00 56.93 57.24 1irp s PHE 24 Cb -0.05 -2.72 0.08 0.00 0.51 0.00 0.00 43.02 40.84 1irp s PHE 24 CO -0.05 0.17 0.77 1.52 0.70 0.00 0.00 175.22 178.32 1irp s TYR 25 N 0.50 -0.75 0.56 0.36 -0.85 -0.83 -4.74 117.35 111.60 1irp s TYR 25 Ca 0.34 1.82 -0.03 0.00 -0.52 0.00 0.00 57.07 58.68 1irp s TYR 25 Cb -0.18 0.30 0.02 0.00 0.38 0.00 0.00 41.96 42.49 1irp s TYR 25 CO 0.17 -0.36 0.83 -0.48 -1.52 0.00 0.00 175.55 174.18 1irp s LEU 26 N 0.42 3.29 -0.26 -3.49 -0.00 -1.26 -1.15 118.68 116.23 1irp s LEU 26 Ca -0.00 0.40 -0.02 0.00 -0.00 0.00 0.00 54.13 54.52 1irp s LEU 26 Cb -0.05 -3.23 0.13 0.00 -0.00 0.00 0.00 46.19 43.04 1irp s LEU 26 CO -0.01 -1.06 0.31 -0.13 -0.00 0.00 0.00 176.35 175.45 1irp s ARG 27 N -4.86 0.30 -1.01 1.48 0.52 -0.46 -4.87 118.95 110.06 1irp s ARG 27 Ca 0.54 0.15 -0.08 0.00 -0.52 0.00 0.00 55.73 55.82 1irp s ARG 27 Cb -0.10 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.60 1irp s ARG 27 CO 0.42 -0.83 0.85 -1.71 0.02 0.00 0.00 175.30 174.04 1irp n ASN 28 N 5.33 -6.58 0.00 0.23 2.85 -1.26 -3.06 115.26 112.77 1irp n ASN 28 Ca -0.03 -0.66 0.00 0.00 -0.11 0.00 0.00 54.58 53.78 1irp n ASN 28 Cb 0.48 -4.82 0.00 0.00 1.24 0.00 0.00 39.78 36.68 1irp n ASN 28 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1irp n ASN 29 N -2.86 0.00 -4.57 1.20 2.85 -1.26 -4.95 115.26 105.66 1irp n ASN 29 Ca -0.07 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.99 1irp n ASN 29 Cb 0.60 -1.34 -0.07 0.00 1.24 0.00 0.00 39.78 40.21 1irp n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1irp s GLN 30 N 0.00 3.71 -0.79 1.20 -0.21 -1.17 -4.81 119.66 117.59 1irp s GLN 30 Ca 0.00 0.08 -0.26 0.00 0.02 0.00 0.00 55.36 55.20 1irp s GLN 30 Cb 0.00 -3.80 0.03 0.00 1.00 0.00 0.00 33.01 30.25 1irp s GLN 30 CO 0.00 -0.71 1.31 -0.51 -2.12 0.00 0.00 175.29 173.26 1irp s LEU 31 N 2.68 3.24 0.57 2.90 1.43 -1.26 -1.35 118.68 126.88 1irp s LEU 31 Ca 0.24 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1irp s LEU 31 Cb -0.15 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1irp s LEU 31 CO 0.14 -1.77 0.97 -0.69 0.23 0.00 0.00 176.35 175.23 1irp s VAL 32 N 5.58 4.71 -0.07 -1.59 1.01 -0.30 -2.06 120.40 127.67 1irp s VAL 32 Ca 0.37 0.83 0.01 0.00 0.00 0.00 0.00 61.98 63.18 1irp s VAL 32 Cb -0.07 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1irp s VAL 32 CO 0.10 -0.98 -0.06 0.00 0.00 0.00 0.00 175.10 174.16 1irp s ALA 33 N -2.96 3.02 0.00 5.51 0.00 -0.21 -1.96 121.76 125.15 1irp s ALA 33 Ca 0.54 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1irp s ALA 33 Cb -0.11 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1irp s ALA 33 CO 0.47 0.58 0.00 0.41 0.00 0.00 0.00 175.76 177.22 1irp n GLY 34 N 2.18 1.88 2.35 0.00 0.00 0.15 -2.76 105.19 108.99 1irp n GLY 34 Ca -0.18 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 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 0.91 0.00 1.61 4.01 -1.26 -0.55 117.16 121.88 1irp n TYR 35 Ca 0.00 -3.73 0.00 0.00 -0.16 0.00 0.00 57.90 54.01 1irp n TYR 35 Cb 0.00 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 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 0.15 0.00 -4.45 7.72 -0.00 -1.16 -4.80 117.00 114.46 1irp n LEU 36 Ca 0.25 0.00 -0.44 0.00 -0.00 0.00 0.00 56.01 55.82 1irp n LEU 36 Cb 0.64 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.04 1irp n LEU 36 CO 0.24 0.00 1.09 -1.10 -0.00 0.00 0.00 177.39 177.62 1irp s GLN 37 N 0.00 3.72 0.00 1.96 -0.21 -1.26 -4.86 119.66 119.02 1irp s GLN 37 Ca 0.00 -1.96 0.00 0.00 0.02 0.00 0.00 55.36 53.42 1irp s GLN 37 Cb 0.00 -4.96 0.00 0.00 1.00 0.00 0.00 33.01 29.05 1irp s GLN 37 CO 0.00 -1.78 0.00 0.41 -2.12 0.00 0.00 175.29 171.80 1irp n GLY 38 N 5.16 2.46 0.20 3.09 0.00 -1.26 -5.09 105.19 109.75 1irp n GLY 38 Ca 0.27 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.51 1irp n GLY 38 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1irp h PRO 39 N 0.00 -0.17 0.00 1.61 0.11 -1.97 -3.46 132.00 128.12 1irp h PRO 39 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1irp h PRO 39 Cb 0.00 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1irp h PRO 39 CO 0.00 -0.11 0.00 0.09 -0.21 0.00 0.00 178.00 177.77 1irp n ASN 40 N -5.30 -2.01 0.00 -2.05 4.13 -1.26 -5.00 115.26 103.77 1irp n ASN 40 Ca -0.03 0.67 0.00 0.00 1.68 0.00 0.00 54.58 56.90 1irp n ASN 40 Cb 0.21 2.00 0.00 0.00 -1.54 0.00 0.00 39.78 40.45 1irp n ASN 40 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1irp n VAL 41 N -3.44 0.00 0.00 2.41 0.24 -1.26 -4.77 118.33 111.52 1irp n VAL 41 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1irp n VAL 41 Cb 0.00 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 1irp n VAL 41 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1irp n ASN 42 N 0.00 0.00 -0.10 -1.34 5.15 -1.26 -4.33 115.26 113.39 1irp n ASN 42 Ca 0.00 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.11 1irp n ASN 42 Cb 0.00 0.00 0.45 0.00 -0.53 0.00 0.00 39.78 39.70 1irp n ASN 42 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1irp n LEU 43 N 0.00 0.55 -2.24 1.20 -0.00 -1.26 -5.04 117.00 110.21 1irp n LEU 43 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1irp n LEU 43 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 1irp n LEU 43 CO 0.00 0.11 -0.12 -0.62 -0.00 0.00 0.00 177.39 176.76 1irp n GLU 44 N -1.11 -1.68 -0.21 1.47 -0.58 -1.26 -4.95 120.64 112.33 1irp n GLU 44 Ca 0.10 1.62 0.06 0.00 -0.42 0.00 0.00 57.16 58.52 1irp n GLU 44 Cb 0.32 -3.72 0.17 0.00 -0.57 0.00 0.00 31.44 27.64 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 -0.01 1.93 -4.54 3.49 4.07 -1.26 -3.88 120.64 120.44 1irp n GLU 45 Ca 0.04 -1.36 -0.25 0.00 -0.06 0.00 0.00 57.16 55.53 1irp n GLU 45 Cb 0.14 -1.33 -0.10 0.00 -0.06 0.00 0.00 31.44 30.09 1irp n GLU 45 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1irp s LYS 46 N -1.53 1.82 0.00 5.31 0.00 -1.26 -4.83 119.74 119.25 1irp s LYS 46 Ca 0.25 -2.04 0.00 0.00 0.00 0.00 0.00 55.97 54.18 1irp s LYS 46 Cb 0.13 -1.14 0.00 0.00 0.00 0.00 0.00 37.83 36.83 1irp s LYS 46 CO 0.16 -0.19 0.00 1.51 0.00 0.00 0.00 175.35 176.83 1irp n ILE 47 N -0.85 0.00 -1.58 3.79 3.06 -0.88 -1.99 119.36 120.91 1irp n ILE 47 Ca -0.05 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.06 1irp n ILE 47 Cb 0.67 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.76 1irp n ILE 47 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1irp s ASP 48 N -4.00 3.71 -0.17 9.51 2.15 0.48 -1.03 116.67 127.32 1irp s ASP 48 Ca 0.00 -0.27 -0.07 0.00 0.43 0.00 0.00 52.55 52.63 1irp s ASP 48 Cb 0.00 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1irp s ASP 48 CO 0.00 -4.20 0.08 0.68 -0.17 0.00 0.00 175.17 171.55 1irp s VAL 49 N 15.64 4.92 -0.11 1.11 -7.23 -0.82 -0.25 120.40 133.65 1irp s VAL 49 Ca 0.89 0.01 0.03 0.00 -1.81 0.00 0.00 61.98 61.10 1irp s VAL 49 Cb -0.10 -3.21 0.01 0.00 0.56 0.00 0.00 36.38 33.64 1irp s VAL 49 CO 0.11 0.48 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.50 1irp s VAL 50 N 0.17 1.79 0.93 1.32 1.01 -0.84 -3.74 120.40 121.04 1irp s VAL 50 Ca 0.05 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 1irp s VAL 50 Cb -0.12 -1.59 0.15 0.00 0.00 0.00 0.00 36.38 34.82 1irp s VAL 50 CO 0.00 0.50 1.10 -2.16 0.00 0.00 0.00 175.10 174.54 1irp s PRO 51 N 0.74 0.98 0.00 2.72 0.04 -1.26 -1.54 135.00 136.67 1irp s PRO 51 Ca -0.11 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1irp s PRO 51 Cb -0.16 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1irp s PRO 51 CO 0.01 -2.39 0.00 1.51 0.04 0.00 0.00 177.00 176.18 1irp n ILE 52 N -3.96 0.00 0.00 0.56 0.13 0.09 -4.80 119.36 111.38 1irp n ILE 52 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.71 1irp n ILE 52 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.36 1irp n ILE 52 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1irp n GLU 53 N 0.00 0.00 0.00 9.51 -0.58 -1.26 -4.95 120.64 123.36 1irp n GLU 53 Ca 0.00 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 1irp n GLU 53 Cb 0.00 -0.84 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 1irp n GLU 53 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1irp n PRO 54 N -2.13 0.00 -2.66 3.49 -0.04 -1.26 -4.90 135.00 127.50 1irp n PRO 54 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 1irp n PRO 54 Cb 0.00 -0.10 0.01 0.00 -0.04 0.00 0.00 33.50 33.37 1irp n PRO 54 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1irp n HIS 55 N 0.00 1.90 -4.10 0.54 8.25 -1.26 -5.09 115.22 115.45 1irp n HIS 55 Ca 0.00 -3.03 -0.10 0.00 -0.26 0.00 0.00 57.72 54.33 1irp n HIS 55 Cb 0.00 -0.30 -0.09 0.00 1.12 0.00 0.00 29.99 30.72 1irp n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1irp s ALA 56 N -3.21 0.64 -0.07 -1.41 0.00 -1.26 -2.56 121.76 113.90 1irp s ALA 56 Ca 0.35 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 1irp s ALA 56 Cb 0.42 0.94 0.02 0.00 0.00 0.00 0.00 23.12 24.51 1irp s ALA 56 CO -0.05 -0.55 0.30 -0.48 0.00 0.00 0.00 175.76 174.97 1irp s LEU 57 N -3.04 0.89 -0.19 0.00 2.34 -0.77 -0.73 118.68 117.18 1irp s LEU 57 Ca 0.24 0.34 -0.11 0.00 0.06 0.00 0.00 54.13 54.66 1irp s LEU 57 Cb 0.06 1.11 -0.05 0.00 -0.56 0.00 0.00 46.19 46.75 1irp s LEU 57 CO 0.03 -0.26 0.17 0.72 -1.06 0.00 0.00 176.35 175.95 1irp s PHE 58 N -0.56 3.41 -0.03 3.48 -0.71 -0.59 -0.94 117.98 122.05 1irp s PHE 58 Ca -0.07 0.38 -0.03 0.00 -1.04 0.00 0.00 56.93 56.18 1irp s PHE 58 Cb -0.04 -2.22 -0.04 0.00 -1.21 0.00 0.00 43.02 39.52 1irp s PHE 58 CO 0.02 0.25 0.14 -0.51 -1.34 0.00 0.00 175.22 173.79 1irp s LEU 59 N 0.46 4.21 -0.28 -1.99 1.02 -0.92 -1.99 118.68 119.19 1irp s LEU 59 Ca 0.10 0.30 -0.01 0.00 0.02 0.00 0.00 54.13 54.54 1irp s LEU 59 Cb -0.12 -2.42 0.09 0.00 0.02 0.00 0.00 46.19 43.76 1irp s LEU 59 CO -0.00 0.29 0.07 -0.83 0.02 0.00 0.00 176.35 175.90 1irp s GLY 60 N -1.73 1.06 0.11 -3.19 0.00 0.65 -0.57 107.32 103.66 1irp s GLY 60 Ca 0.24 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.46 1irp s GLY 60 CO 0.15 1.49 0.26 -0.42 0.00 0.00 0.00 173.10 174.58 1irp s ILE 61 N 1.61 5.34 -0.31 0.90 1.09 -0.22 -0.38 121.20 129.22 1irp s ILE 61 Ca 0.06 -0.47 -0.05 0.00 -1.10 0.00 0.00 60.65 59.09 1irp s ILE 61 Cb -0.17 -3.68 0.01 0.00 -1.06 0.00 0.00 42.46 37.55 1irp s ILE 61 CO -0.20 0.02 0.17 1.57 -0.10 0.00 0.00 174.94 176.41 1irp n HIS 62 N -0.11 -3.42 -1.38 3.97 -0.00 -0.84 -1.20 115.22 112.23 1irp n HIS 62 Ca -0.06 1.48 -0.13 0.00 0.46 0.00 0.00 57.72 59.47 1irp n HIS 62 Cb 0.52 -3.64 -0.06 0.00 -0.12 0.00 0.00 29.99 26.70 1irp n HIS 62 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1irp n GLY 63 N 0.49 1.25 1.60 1.57 0.00 -1.26 -3.41 105.19 105.43 1irp n GLY 63 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 0.13 0.33 0.00 -0.02 0.00 -1.25 -4.95 105.19 99.43 1irp n GLY 64 Ca -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1irp n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1irp n LYS 65 N -1.70 0.27 -2.94 1.61 4.01 -1.06 -4.66 118.16 113.69 1irp n LYS 65 Ca -0.05 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.32 1irp n LYS 65 Cb 0.53 -0.61 -0.05 0.00 -0.51 0.00 0.00 35.03 34.40 1irp n LYS 65 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1irp s MET 66 N -1.22 3.19 -0.75 1.97 -1.94 -0.34 -1.07 119.30 119.15 1irp s MET 66 Ca 0.00 -0.66 -0.26 0.00 -1.71 0.00 0.00 55.69 53.06 1irp s MET 66 Cb 0.00 -4.13 0.01 0.00 2.01 0.00 0.00 34.83 32.72 1irp s MET 66 CO 0.00 -1.52 1.52 0.00 -0.01 0.00 0.00 175.02 175.00 1irp s LEU 68 N 6.92 3.61 0.36 0.00 1.43 0.26 -1.66 118.68 129.60 1irp s LEU 68 Ca 0.48 0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.60 1irp s LEU 68 Cb -0.08 -3.15 0.02 0.00 0.03 0.00 0.00 46.19 43.01 1irp s LEU 68 CO 0.12 -1.40 0.55 -0.44 0.23 0.00 0.00 176.35 175.41 1irp s SER 69 N 2.86 0.84 -0.39 2.29 0.01 -0.87 -2.17 113.70 116.27 1irp s SER 69 Ca 0.41 -1.47 -0.05 0.00 1.31 0.00 0.00 55.95 56.15 1irp s SER 69 Cb -0.08 0.72 0.09 0.00 0.21 0.00 0.00 66.02 66.95 1irp s SER 69 CO 0.25 -1.41 0.19 0.00 0.41 0.00 0.00 173.24 172.68 1irp s VAL 71 N 1.26 4.65 -0.68 0.00 0.11 -0.38 -4.60 120.40 120.77 1irp s VAL 71 Ca 0.04 -1.12 -0.27 0.00 -2.93 0.00 0.00 61.98 57.70 1irp s VAL 71 Cb -0.22 -3.43 0.03 0.00 -1.53 0.00 0.00 36.38 31.23 1irp s VAL 71 CO -0.01 -0.20 1.22 -0.75 -3.33 0.00 0.00 175.10 172.03 1irp s LYS 72 N -3.42 3.30 0.00 1.54 2.36 -1.26 -0.68 119.74 121.58 1irp s LYS 72 Ca 0.32 -0.12 0.00 0.00 -2.55 0.00 0.00 55.97 53.62 1irp s LYS 72 Cb -0.09 -4.12 0.00 0.00 -1.05 0.00 0.00 37.83 32.56 1irp s LYS 72 CO 0.25 -1.95 0.00 0.43 1.55 0.00 0.00 175.35 175.63 1irp n SER 73 N 8.91 0.00 0.00 1.43 7.64 -1.26 -4.91 113.62 125.42 1irp n SER 73 Ca 0.04 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1irp n SER 73 Cb 0.49 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1irp n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1irp n GLY 74 N 2.01 -0.37 2.35 0.23 0.00 -1.26 -4.96 105.19 103.19 1irp n GLY 74 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1irp n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1irp n ASP 75 N -1.13 0.87 0.00 1.61 8.00 -1.26 -5.10 116.55 119.54 1irp n ASP 75 Ca 0.00 -2.94 0.00 0.00 0.71 0.00 0.00 54.79 52.56 1irp n ASP 75 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1irp n ASP 75 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1irp n GLU 76 N 0.17 0.00 -3.25 -1.24 0.00 -1.26 -5.16 120.64 109.90 1irp n GLU 76 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.32 1irp n GLU 76 Cb 0.71 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 32.11 1irp n GLU 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1irp s THR 77 N 0.89 -0.79 0.12 3.84 2.01 -1.26 -4.41 115.64 116.04 1irp s THR 77 Ca 0.00 -0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.02 1irp s THR 77 Cb 0.00 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1irp s THR 77 CO 0.00 -0.08 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.05 1irp s ARG 78 N 2.69 1.17 0.05 4.92 3.52 0.15 -4.34 118.95 127.10 1irp s ARG 78 Ca 0.15 -1.25 -0.30 0.00 -0.13 0.00 0.00 55.73 54.20 1irp s ARG 78 Cb -0.15 -1.35 -0.08 0.00 -1.56 0.00 0.00 34.95 31.81 1irp s ARG 78 CO -0.20 0.30 1.79 -1.17 -0.81 0.00 0.00 175.30 175.21 1irp s LEU 79 N -2.19 4.39 -0.03 -0.88 0.20 -1.26 -1.25 118.68 117.66 1irp s LEU 79 Ca 0.10 2.56 -0.19 0.00 0.69 0.00 0.00 54.13 57.28 1irp s LEU 79 Cb -0.08 -3.55 0.04 0.00 -0.43 0.00 0.00 46.19 42.17 1irp s LEU 79 CO 0.05 -0.97 0.42 -1.58 -0.29 0.00 0.00 176.35 173.97 1irp s GLN 80 N 3.49 0.78 -0.56 1.98 0.74 -0.78 -4.94 119.66 120.38 1irp s GLN 80 Ca 0.80 -0.05 -0.08 0.00 0.05 0.00 0.00 55.36 56.07 1irp s GLN 80 Cb -0.41 0.35 0.14 0.00 1.10 0.00 0.00 33.01 34.20 1irp s GLN 80 CO 0.36 -0.22 0.43 -0.48 -0.55 0.00 0.00 175.29 174.82 1irp s LEU 81 N -1.27 5.76 0.06 3.68 2.34 -1.26 -2.05 118.68 125.94 1irp s LEU 81 Ca -0.13 -2.23 -0.30 0.00 0.06 0.00 0.00 54.13 51.53 1irp s LEU 81 Cb -0.04 -2.01 -0.05 0.00 -0.56 0.00 0.00 46.19 43.54 1irp s LEU 81 CO 0.06 -0.61 1.02 -1.61 -1.06 0.00 0.00 176.35 174.15 1irp s GLU 82 N 0.88 4.58 -0.62 1.48 2.02 -0.67 -4.72 118.70 121.65 1irp s GLU 82 Ca 0.10 1.51 -0.28 0.00 0.02 0.00 0.00 54.97 56.32 1irp s GLU 82 Cb -0.22 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.62 1irp s GLU 82 CO -0.03 0.01 1.32 0.00 0.02 0.00 0.00 175.26 176.58 1irp s ALA 83 N 0.62 2.82 0.30 5.21 0.00 -1.26 -0.62 121.76 128.84 1irp s ALA 83 Ca 0.51 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.60 1irp s ALA 83 Cb -0.24 -4.14 -0.06 0.00 0.00 0.00 0.00 23.12 18.69 1irp s ALA 83 CO 0.29 -2.99 -0.01 0.54 0.00 0.00 0.00 175.76 173.59 1irp s VAL 84 N 5.74 1.49 -0.11 0.00 0.11 -0.23 -5.01 120.40 122.39 1irp s VAL 84 Ca 0.45 -2.07 -0.05 0.00 -2.93 0.00 0.00 61.98 57.38 1irp s VAL 84 Cb -0.09 -2.60 0.05 0.00 -1.53 0.00 0.00 36.38 32.21 1irp s VAL 84 CO 0.22 -0.18 0.24 0.54 -3.33 0.00 0.00 175.10 172.59 1irp s ASN 85 N -3.47 0.14 0.05 3.54 4.22 -1.26 -4.48 114.94 113.67 1irp s ASN 85 Ca 0.32 0.52 -0.03 0.00 -2.14 0.00 0.00 52.86 51.53 1irp s ASN 85 Cb 0.06 0.51 -0.03 0.00 1.28 0.00 0.00 41.25 43.07 1irp s ASN 85 CO 0.13 -0.21 0.02 -0.51 -2.04 0.00 0.00 177.10 174.50 1irp s ILE 86 N 1.90 0.18 0.00 0.54 2.07 -1.26 -5.06 121.20 119.56 1irp s ILE 86 Ca -0.03 -1.46 0.00 0.00 -1.41 0.00 0.00 60.65 57.75 1irp s ILE 86 Cb -0.11 -1.19 0.00 0.00 0.13 0.00 0.00 42.46 41.29 1irp s ILE 86 CO -0.08 -0.80 0.00 1.07 -1.91 0.00 0.00 174.94 173.22 1irp n THR 87 N 0.43 0.00 0.21 4.00 5.66 -1.26 -4.55 114.28 118.77 1irp n THR 87 Ca -0.17 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.88 1irp n THR 87 Cb 0.60 0.00 0.45 0.00 -1.55 0.00 0.00 70.33 69.83 1irp n THR 87 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1irp h ASP 88 N 0.00 0.00 -3.11 1.09 5.19 -2.00 -3.47 116.42 114.11 1irp h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1irp h ASP 88 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1irp h ASP 88 CO 0.00 0.26 -0.06 0.18 -3.12 0.00 0.00 179.24 176.51 1irp n LEU 89 N -4.18 -2.32 -4.49 1.55 4.77 -1.26 -5.01 117.00 106.06 1irp n LEU 89 Ca -0.02 0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 1irp n LEU 89 Cb 0.32 -1.13 -0.05 0.00 -2.33 0.00 0.00 43.42 40.23 1irp n LEU 89 CO 0.37 -0.18 0.64 -0.94 -1.33 0.00 0.00 177.39 175.95 1irp s SER 90 N -0.09 6.28 -0.65 -1.43 1.04 -1.26 -5.02 113.70 112.58 1irp s SER 90 Ca -0.00 -0.60 -0.23 0.00 0.48 0.00 0.00 55.95 55.60 1irp s SER 90 Cb 0.00 -2.39 0.06 0.00 0.10 0.00 0.00 66.02 63.79 1irp s SER 90 CO 0.04 -1.17 0.98 -0.70 0.98 0.00 0.00 173.24 173.38 1irp s GLU 91 N 3.60 3.14 -0.40 4.02 2.56 -1.26 -4.91 118.70 125.46 1irp s GLU 91 Ca 0.25 -0.73 0.12 0.00 0.00 0.00 0.00 54.97 54.61 1irp s GLU 91 Cb -0.15 -4.20 0.37 0.00 2.00 0.00 0.00 34.13 32.15 1irp s GLU 91 CO 0.16 -1.79 0.83 -1.71 -0.56 0.00 0.00 175.26 172.18 1irp n ASN 92 N 7.77 1.71 0.11 -1.70 4.05 -1.26 -4.95 115.26 121.00 1irp n ASN 92 Ca -0.03 -3.09 -0.23 0.00 0.45 0.00 0.00 54.58 51.68 1irp n ASN 92 Cb 0.46 -0.58 -0.15 0.00 1.23 0.00 0.00 39.78 40.73 1irp n ASN 92 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 1irp h ARG 93 N 2.98 0.45 0.00 1.20 3.08 -1.91 -3.37 114.38 116.82 1irp h ARG 93 Ca 0.07 -0.77 -0.02 0.00 0.07 0.00 0.00 59.98 59.34 1irp h ARG 93 Cb 0.94 0.29 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 1irp h ARG 93 CO 0.57 1.36 -0.07 -0.22 -1.07 0.00 0.00 179.97 180.54 1irp h LYS 94 N 0.12 0.00 -2.23 0.04 3.11 -1.94 -3.39 116.57 112.29 1irp h LYS 94 Ca -0.30 0.00 -0.44 0.00 -2.81 0.00 0.00 60.65 57.10 1irp h LYS 94 Cb 2.13 0.00 -0.34 0.00 -1.00 0.00 0.00 32.23 33.01 1irp h LYS 94 CO 0.22 0.07 -0.74 1.14 -2.81 0.00 0.00 179.45 177.34 1irp s GLN 95 N -4.38 0.55 0.97 1.90 -2.07 -1.26 -5.08 119.66 110.29 1irp s GLN 95 Ca -0.04 -0.92 -0.16 0.00 -1.82 0.00 0.00 55.36 52.42 1irp s GLN 95 Cb 0.14 -0.93 0.23 0.00 -1.09 0.00 0.00 33.01 31.36 1irp s GLN 95 CO 0.57 -1.17 1.07 -3.47 -1.32 0.00 0.00 175.29 170.97 1irp n ASP 96 N 4.35 -0.93 -2.25 12.60 2.03 -1.26 -4.98 116.55 126.11 1irp n ASP 96 Ca 0.09 -1.26 -0.26 0.00 0.52 0.00 0.00 54.79 53.88 1irp n ASP 96 Cb 0.42 -0.89 0.01 0.00 -0.72 0.00 0.00 41.12 39.95 1irp n ASP 96 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1irp n LYS 97 N -3.95 3.50 -3.86 -0.67 4.01 -1.26 -4.98 118.16 110.94 1irp n LYS 97 Ca 0.14 -4.29 -0.37 0.00 -0.51 0.00 0.00 58.31 53.29 1irp n LYS 97 Cb 0.51 -2.27 0.03 0.00 -0.51 0.00 0.00 35.03 32.79 1irp n LYS 97 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1irp n ARG 98 N -0.61 -0.81 -0.43 1.97 1.85 -1.26 -4.98 116.66 112.38 1irp n ARG 98 Ca 0.42 0.36 0.06 0.00 -1.00 0.00 0.00 57.85 57.69 1irp n ARG 98 Cb 0.81 -3.18 0.10 0.00 -1.05 0.00 0.00 32.46 29.14 1irp n ARG 98 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1irp n PHE 99 N -4.28 0.00 -4.77 2.89 3.72 -1.23 -3.98 117.46 109.81 1irp n PHE 99 Ca -0.13 -0.73 -0.31 0.00 -0.05 0.00 0.00 57.45 56.22 1irp n PHE 99 Cb 0.59 -0.14 -0.13 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.79 2.61 -0.27 4.37 0.00 -0.83 -4.38 121.76 121.47 1irp s ALA 100 Ca 0.24 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 1irp s ALA 100 Cb 0.22 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1irp s ALA 100 CO -0.02 0.57 0.25 -0.06 0.00 0.00 0.00 175.76 176.50 1irp s PHE 101 N -0.85 3.24 -0.20 0.00 0.40 -0.12 -1.97 117.98 118.49 1irp s PHE 101 Ca 0.14 0.23 -0.22 0.00 -0.60 0.00 0.00 56.93 56.48 1irp s PHE 101 Cb -0.11 -2.43 -0.02 0.00 0.51 0.00 0.00 43.02 40.97 1irp s PHE 101 CO 0.04 -0.16 0.69 0.42 0.70 0.00 0.00 175.22 176.91 1irp s ILE 102 N 1.78 4.97 -0.49 0.64 1.01 -0.83 -1.84 121.20 126.44 1irp s ILE 102 Ca 0.10 1.31 -0.17 0.00 0.00 0.00 0.00 60.65 61.89 1irp s ILE 102 Cb -0.16 -4.00 0.07 0.00 0.01 0.00 0.00 42.46 38.38 1irp s ILE 102 CO 0.10 0.07 0.50 0.00 0.00 0.00 0.00 174.94 175.62 1irp s ARG 103 N 2.06 3.04 -1.14 2.79 1.04 -1.06 -2.01 118.95 123.68 1irp s ARG 103 Ca 0.31 -1.14 -0.12 0.00 -1.04 0.00 0.00 55.73 53.74 1irp s ARG 103 Cb -0.16 -4.12 0.22 0.00 -2.04 0.00 0.00 34.95 28.85 1irp s ARG 103 CO 0.11 -1.12 1.24 -1.54 -0.04 0.00 0.00 175.30 173.95 1irp s SER 104 N 2.66 7.15 0.57 -2.89 1.04 -1.21 -4.94 113.70 116.08 1irp s SER 104 Ca 0.09 -3.21 -0.00 0.00 0.48 0.00 0.00 55.95 53.31 1irp s SER 104 Cb -0.22 -2.31 0.08 0.00 0.10 0.00 0.00 66.02 63.67 1irp s SER 104 CO 0.09 -0.55 0.53 -0.90 0.98 0.00 0.00 173.24 173.39 1irp n ASP 105 N 4.28 0.71 -2.84 7.02 5.68 -1.26 -3.49 116.55 126.66 1irp n ASP 105 Ca 0.29 -1.60 -0.11 0.00 -0.50 0.00 0.00 54.79 52.87 1irp n ASP 105 Cb 0.42 -0.34 0.04 0.00 -1.14 0.00 0.00 41.12 40.10 1irp n ASP 105 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1irp n SER 106 N -2.95 -0.24 0.00 -1.12 7.64 -0.92 -4.97 113.62 111.05 1irp n SER 106 Ca 0.09 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 57.01 1irp n SER 106 Cb 0.31 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.02 1.37 0.14 0.23 0.00 -1.26 -4.51 105.19 101.18 1irp n GLY 107 Ca 0.11 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 -5.99 1.61 0.13 -1.97 -3.47 132.00 122.30 1irp h PRO 108 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 1irp h PRO 108 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 1irp h PRO 108 CO 0.00 0.45 -0.69 0.95 -0.23 0.00 0.00 178.00 178.48 1irp s THR 109 N -2.97 3.77 0.34 1.56 -4.23 -1.26 -1.08 115.64 111.76 1irp s THR 109 Ca 0.03 -0.45 0.07 0.00 -1.18 0.00 0.00 61.69 60.17 1irp s THR 109 Cb 0.08 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 1irp s THR 109 CO 0.75 0.58 0.26 0.28 -0.54 0.00 0.00 174.62 175.95 1irp s THR 110 N -0.63 0.06 0.31 3.99 -1.32 -0.02 -2.17 115.64 115.86 1irp s THR 110 Ca 0.10 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.64 1irp s THR 110 Cb -0.12 -2.48 -0.06 0.00 -1.51 0.00 0.00 72.50 68.33 1irp s THR 110 CO 0.02 0.00 -0.04 -0.44 -2.21 0.00 0.00 174.62 171.95 1irp s SER 111 N -3.40 2.96 -0.06 8.08 0.01 -1.22 -1.75 113.70 118.32 1irp s SER 111 Ca 0.39 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1irp s SER 111 Cb 0.02 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.07 1irp s SER 111 CO 0.26 -0.37 -0.04 -0.36 0.41 0.00 0.00 173.24 173.14 1irp s PHE 112 N -2.97 0.85 0.60 2.43 0.08 -0.88 -3.32 117.98 114.77 1irp s PHE 112 Ca 0.32 -0.28 -0.04 0.00 0.12 0.00 0.00 56.93 57.04 1irp s PHE 112 Cb 0.05 -0.81 0.02 0.00 -0.57 0.00 0.00 43.02 41.71 1irp s PHE 112 CO 0.14 -0.29 0.88 -1.21 -0.10 0.00 0.00 175.22 174.64 1irp s GLU 113 N 1.40 2.70 -0.30 0.44 0.41 -0.85 -1.70 118.70 120.79 1irp s GLU 113 Ca -0.03 -0.24 -0.09 0.00 -0.41 0.00 0.00 54.97 54.20 1irp s GLU 113 Cb -0.13 -2.31 0.18 0.00 -1.78 0.00 0.00 34.13 30.08 1irp s GLU 113 CO -0.03 -0.78 0.86 -1.12 -0.49 0.00 0.00 175.26 173.70 1irp s SER 114 N -4.36 -0.85 0.00 -0.19 0.01 0.66 -1.97 113.70 107.00 1irp s SER 114 Ca 0.55 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1irp s SER 114 Cb -0.10 1.75 0.00 0.00 0.21 0.00 0.00 66.02 67.87 1irp s SER 114 CO 0.43 -0.16 0.00 0.00 0.41 0.00 0.00 173.24 173.92 1irp n ALA 115 N 5.40 0.00 -2.81 1.44 0.00 -0.83 -1.37 120.51 122.35 1irp n ALA 115 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 1irp n ALA 115 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1irp n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp s ALA 116 N -1.99 -3.21 0.00 0.00 0.00 -1.26 -1.97 121.76 113.33 1irp s ALA 116 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1irp s ALA 116 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1irp s ALA 116 CO 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 175.76 173.40 1irp s PRO 118 N 0.00 2.18 0.00 0.00 0.04 -1.26 -4.34 135.00 131.62 1irp s PRO 118 Ca 0.00 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1irp s PRO 118 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1irp s PRO 118 CO 0.00 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.60 1irp n GLY 119 N 0.73 2.02 2.80 0.56 0.00 -1.26 -4.57 105.19 105.47 1irp n GLY 119 Ca 0.15 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 1irp n GLY 119 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1irp s TRP 120 N 0.00 0.16 -0.27 1.61 -0.00 -0.47 -4.79 118.94 115.18 1irp s TRP 120 Ca 0.00 0.07 -0.10 0.00 -0.00 0.00 0.00 56.10 56.07 1irp s TRP 120 Cb 0.00 -0.30 0.12 0.00 -0.00 0.00 0.00 33.47 33.28 1irp s TRP 120 CO 0.00 -0.10 0.59 -0.59 -0.00 0.00 0.00 176.95 176.85 1irp s PHE 121 N 1.00 -1.20 0.00 5.86 -0.71 0.14 -0.25 117.98 122.82 1irp s PHE 121 Ca -0.09 2.13 0.00 0.00 -1.04 0.00 0.00 56.93 57.93 1irp s PHE 121 Cb -0.13 0.68 0.00 0.00 -1.21 0.00 0.00 43.02 42.36 1irp s PHE 121 CO -0.02 -0.62 0.00 1.28 -1.34 0.00 0.00 175.22 174.52 1irp n LEU 122 N 5.37 0.00 0.00 -1.99 4.77 -0.69 -1.91 117.00 122.56 1irp n LEU 122 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1irp n LEU 122 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1irp n LEU 122 CO -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.03 1irp s THR 124 N 2.00 0.04 0.74 0.00 2.01 -1.26 -1.77 115.64 117.41 1irp s THR 124 Ca 0.00 -0.33 -0.15 0.00 0.31 0.00 0.00 61.69 61.53 1irp s THR 124 Cb 0.00 -0.92 0.04 0.00 0.01 0.00 0.00 72.50 71.63 1irp s THR 124 CO 0.00 -0.18 1.20 0.00 -0.69 0.00 0.00 174.62 174.95 1irp s ALA 125 N -2.14 2.10 0.04 7.40 0.00 -0.84 -0.79 121.76 127.53 1irp s ALA 125 Ca -0.07 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.51 1irp s ALA 125 Cb -0.01 -3.47 -0.17 0.00 0.00 0.00 0.00 23.12 19.47 1irp s ALA 125 CO 0.00 -1.90 1.51 1.98 0.00 0.00 0.00 175.76 177.35 1irp h MET 126 N -0.35 0.02 -7.39 0.00 4.05 -1.92 -3.39 114.93 105.95 1irp h MET 126 Ca -0.47 -0.01 -0.46 0.00 -0.28 0.00 0.00 59.70 58.48 1irp h MET 126 Cb 1.29 -0.00 0.09 0.00 -0.80 0.00 0.00 31.60 32.18 1irp h MET 126 CO 0.49 0.26 0.28 -1.21 0.23 0.00 0.00 176.91 176.96 1irp s GLU 127 N -5.23 2.06 -1.12 0.39 8.01 -1.26 -4.93 118.70 116.62 1irp s GLU 127 Ca -0.14 -0.20 -0.05 0.00 0.01 0.00 0.00 54.97 54.59 1irp s GLU 127 Cb 0.04 -2.11 0.08 0.00 -4.31 0.00 0.00 34.13 27.83 1irp s GLU 127 CO 0.67 -1.38 2.55 0.00 0.01 0.00 0.00 175.26 177.12 1irp n ALA 128 N -3.05 6.79 0.00 5.21 0.00 -1.26 -4.28 120.51 123.92 1irp n ALA 128 Ca 0.08 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.77 1irp n ALA 128 Cb 0.61 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 1.72 0.00 -4.31 0.00 5.68 -1.11 -2.96 116.55 115.56 1irp n ASP 129 Ca 0.60 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.60 1irp n ASP 129 Cb 0.33 0.29 0.20 0.00 -1.14 0.00 0.00 41.12 40.80 1irp n ASP 129 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1irp s GLN 130 N -1.62 -0.12 0.69 0.11 -0.21 -1.26 -4.47 119.66 112.78 1irp s GLN 130 Ca 0.00 0.16 0.01 0.00 0.02 0.00 0.00 55.36 55.55 1irp s GLN 130 Cb 0.00 -1.70 0.11 0.00 1.00 0.00 0.00 33.01 32.42 1irp s GLN 130 CO 0.00 -3.02 0.95 -1.25 -2.12 0.00 0.00 175.29 169.84 1irp s PRO 131 N -5.27 1.83 0.03 2.91 0.04 -1.26 -1.05 135.00 132.23 1irp s PRO 131 Ca 0.68 -1.18 -0.30 0.00 0.04 0.00 0.00 61.00 60.24 1irp s PRO 131 Cb -0.13 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1irp s PRO 131 CO 0.56 -1.31 1.04 0.54 0.04 0.00 0.00 177.00 177.87 1irp s VAL 132 N -3.04 4.58 -0.13 -0.36 0.11 -0.88 -1.99 120.40 118.69 1irp s VAL 132 Ca 0.65 1.88 -0.05 0.00 -2.93 0.00 0.00 61.98 61.53 1irp s VAL 132 Cb -0.06 -4.21 0.06 0.00 -1.53 0.00 0.00 36.38 30.65 1irp s VAL 132 CO 0.43 0.16 0.27 -0.55 -3.33 0.00 0.00 175.10 172.08 1irp s SER 133 N 0.90 0.13 -0.04 3.54 0.15 -0.73 -4.95 113.70 112.71 1irp s SER 133 Ca 0.53 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1irp s SER 133 Cb -0.24 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 1irp s SER 133 CO 0.29 -0.22 0.00 -0.76 1.20 0.00 0.00 173.24 173.75 1irp s LEU 134 N 2.05 3.55 0.00 3.45 2.01 -1.26 -1.41 118.68 127.07 1irp s LEU 134 Ca -0.02 0.06 0.00 0.00 0.01 0.00 0.00 54.13 54.18 1irp s LEU 134 Cb -0.11 -1.94 0.00 0.00 0.01 0.00 0.00 46.19 44.15 1irp s LEU 134 CO -0.09 0.32 0.00 0.41 1.01 0.00 0.00 176.35 178.00 1irp n THR 135 N 1.71 0.00 0.16 5.49 -1.04 -0.80 -4.51 114.28 115.28 1irp n THR 135 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1irp n THR 135 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1irp n THR 135 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1irp n ASN 136 N 0.00 -1.25 -4.73 8.00 4.13 -1.24 -0.69 115.26 119.49 1irp n ASN 136 Ca 0.00 0.57 -0.39 0.00 1.68 0.00 0.00 54.58 56.43 1irp n ASN 136 Cb 0.00 1.33 -0.05 0.00 -1.54 0.00 0.00 39.78 39.52 1irp n ASN 136 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1irp s MET 137 N -1.89 4.40 0.61 3.52 0.23 -1.26 -4.97 119.30 119.94 1irp s MET 137 Ca 0.00 0.77 -0.13 0.00 -1.03 0.00 0.00 55.69 55.30 1irp s MET 137 Cb 0.00 -3.42 -0.03 0.00 -1.53 0.00 0.00 34.83 29.85 1irp s MET 137 CO 0.00 0.16 1.04 -1.25 -2.03 0.00 0.00 175.02 172.94 1irp s PRO 138 N 0.50 3.42 0.00 3.16 0.04 -1.26 -5.10 135.00 135.75 1irp s PRO 138 Ca 0.34 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1irp s PRO 138 Cb -0.17 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1irp s PRO 138 CO 0.17 -0.72 0.00 -3.47 0.04 0.00 0.00 177.00 173.02 1irp n ASP 139 N -2.43 0.00 -2.50 6.66 -0.08 -1.26 -4.99 116.55 111.96 1irp n ASP 139 Ca 0.07 -0.63 -0.28 0.00 -1.51 0.00 0.00 54.79 52.44 1irp n ASP 139 Cb 0.54 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.96 1irp n ASP 139 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1irp n GLU 140 N -0.63 2.41 -3.00 -0.67 0.28 -1.26 -4.74 120.64 113.02 1irp n GLU 140 Ca 0.00 -2.45 -0.12 0.00 -0.16 0.00 0.00 57.16 54.42 1irp n GLU 140 Cb 0.00 -2.12 0.04 0.00 1.43 0.00 0.00 31.44 30.78 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 0.63 0.15 0.11 -1.84 0.00 -1.26 -5.01 105.19 97.97 1irp n GLY 141 Ca 0.48 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.83 1.51 -2.52 1.61 3.14 -1.26 -4.98 118.33 112.00 1irp n VAL 142 Ca -0.01 -0.12 -0.36 0.00 -2.96 0.00 0.00 64.34 60.89 1irp n VAL 142 Cb 0.54 -2.07 -0.04 0.00 -1.06 0.00 0.00 33.84 31.21 1irp n VAL 142 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1irp s MET 143 N -2.50 4.08 -1.05 1.45 -1.94 -1.26 -4.18 119.30 113.90 1irp s MET 143 Ca -0.31 1.51 -0.22 0.00 -1.71 0.00 0.00 55.69 54.96 1irp s MET 143 Cb 0.09 -2.47 0.06 0.00 2.01 0.00 0.00 34.83 34.52 1irp s MET 143 CO 0.48 -0.22 1.46 0.54 -0.01 0.00 0.00 175.02 177.27 1irp s VAL 144 N -1.70 4.03 -2.00 -6.03 0.11 0.03 -4.87 120.40 109.97 1irp s VAL 144 Ca 0.60 -0.99 0.13 0.00 -2.93 0.00 0.00 61.98 58.78 1irp s VAL 144 Cb -0.22 -5.05 0.37 0.00 -1.53 0.00 0.00 36.38 29.95 1irp s VAL 144 CO 0.27 -1.91 1.50 1.07 -3.33 0.00 0.00 175.10 172.70 1irp n THR 145 N 6.68 0.00 -3.39 5.04 5.66 -1.26 -4.01 114.28 122.99 1irp n THR 145 Ca 0.34 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 61.08 1irp n THR 145 Cb 0.50 -0.20 -0.09 0.00 -1.55 0.00 0.00 70.33 68.99 1irp n THR 145 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1irp n LYS 146 N -0.70 1.33 -3.56 1.09 4.76 -1.20 -3.41 118.16 116.47 1irp n LYS 146 Ca 0.10 -3.84 -0.27 0.00 -2.87 0.00 0.00 58.31 51.44 1irp n LYS 146 Cb 0.04 -1.76 -0.03 0.00 -1.84 0.00 0.00 35.03 31.45 1irp n LYS 146 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1irp s PHE 147 N -1.40 3.48 -0.27 2.13 -0.12 -0.72 -4.66 117.98 116.42 1irp s PHE 147 Ca 0.35 0.40 -0.29 0.00 -0.05 0.00 0.00 56.93 57.34 1irp s PHE 147 Cb 0.11 -1.91 0.00 0.00 -0.63 0.00 0.00 43.02 40.59 1irp s PHE 147 CO -0.10 0.28 1.21 -0.47 -0.05 0.00 0.00 175.22 176.09 1irp s TYR 148 N -2.01 2.89 -0.47 3.49 6.14 0.41 -0.84 117.35 126.96 1irp s TYR 148 Ca 0.40 1.03 -0.11 0.00 0.64 0.00 0.00 57.07 59.03 1irp s TYR 148 Cb -0.11 -3.72 0.11 0.00 0.42 0.00 0.00 41.96 38.67 1irp s TYR 148 CO 0.31 -1.37 0.36 0.12 0.64 0.00 0.00 175.55 175.60 1irp s PHE 149 N 3.91 3.37 0.09 4.97 5.36 -0.24 -1.38 117.98 134.06 1irp s PHE 149 Ca 0.52 -1.68 0.03 0.00 -0.96 0.00 0.00 56.93 54.85 1irp s PHE 149 Cb -0.16 -3.44 -0.04 0.00 -0.34 0.00 0.00 43.02 39.04 1irp s PHE 149 CO 0.18 -0.97 -0.09 -1.14 -1.46 0.00 0.00 175.22 171.75 1irp s GLN 150 N 1.42 0.78 0.48 10.12 0.74 -0.85 -4.79 119.66 127.57 1irp s GLN 150 Ca 0.05 -1.13 -0.20 0.00 0.05 0.00 0.00 55.36 54.13 1irp s GLN 150 Cb -0.26 -0.40 -0.09 0.00 1.10 0.00 0.00 33.01 33.36 1irp s GLN 150 CO 0.01 0.05 1.01 -2.00 -0.55 0.00 0.00 175.29 173.81 1irp s GLU 151 N -2.83 3.89 -0.50 1.67 2.56 -1.26 -1.10 118.70 121.13 1irp s GLU 151 Ca 0.04 1.26 -0.28 0.00 0.00 0.00 0.00 54.97 55.99 1irp s GLU 151 Cb -0.02 -2.12 -0.00 0.00 2.00 0.00 0.00 34.13 33.99 1irp s GLU 151 CO -0.01 -0.34 1.64 -0.51 -0.56 0.00 0.00 175.26 175.48 1irp s ASP 152 N -2.16 5.85 0.00 -1.70 1.01 0.91 -4.78 116.67 115.80 1irp s ASP 152 Ca 0.65 0.62 0.03 0.00 0.71 0.00 0.00 52.55 54.56 1irp s ASP 152 Cb -0.14 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.28 1irp s ASP 152 CO 0.20 -1.87 0.60 -1.84 0.21 0.00 0.00 175.17 172.47