#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 -1.07 -0.08 0.03 0.00 -1.26 -4.78 116.66 109.49 1irp n ARG 2 Ca 0.00 1.31 -0.13 0.00 -0.00 0.00 0.00 57.85 59.04 1irp n ARG 2 Cb 0.00 -4.96 -0.05 0.00 0.00 0.00 0.00 32.46 27.45 1irp n ARG 2 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1irp h PRO 3 N 0.38 0.54 -6.36 -0.14 0.13 -1.97 -3.40 132.00 121.17 1irp h PRO 3 Ca 0.00 -0.25 -0.55 0.00 -0.87 0.00 0.00 66.00 64.32 1irp h PRO 3 Cb 1.00 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.04 1irp h PRO 3 CO 0.24 0.82 0.96 0.45 -0.23 0.00 0.00 178.00 180.25 1irp s SER 4 N -6.27 6.29 0.00 1.44 0.15 -1.26 -4.17 113.70 109.88 1irp s SER 4 Ca -0.13 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1irp s SER 4 Cb 0.07 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1irp s SER 4 CO 0.79 -1.63 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1irp n GLY 5 N 5.23 0.69 5.38 9.45 0.00 -1.26 -4.96 105.19 119.72 1irp n GLY 5 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.00 -0.01 1.61 0.63 -1.15 -4.03 116.66 113.71 1irp n ARG 6 Ca 0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1irp n ARG 6 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 1irp n ARG 6 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1irp h LYS 7 N 0.00 0.00 -5.32 -0.14 1.63 -2.05 -3.47 116.57 107.23 1irp h LYS 7 Ca 0.00 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 59.18 1irp h LYS 7 Cb 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 31.50 1irp h LYS 7 CO 0.00 0.00 -0.10 -1.12 -3.45 0.00 0.00 179.45 174.78 1irp s SER 8 N -3.59 6.39 0.40 4.20 0.01 -1.26 -4.93 113.70 114.92 1irp s SER 8 Ca -0.01 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.72 1irp s SER 8 Cb 0.00 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1irp s SER 8 CO 0.02 -0.23 0.00 -1.20 0.41 0.00 0.00 173.24 172.24 1irp n SER 9 N 5.32 -5.14 -2.79 2.44 7.64 -1.26 -4.52 113.62 115.30 1irp n SER 9 Ca -0.06 1.00 -0.11 0.00 1.01 0.00 0.00 58.87 60.71 1irp n SER 9 Cb 0.50 -3.16 0.02 0.00 -1.01 0.00 0.00 64.21 60.56 1irp n SER 9 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1irp n LYS 10 N -3.26 1.10 -2.77 1.43 5.02 -1.26 -2.93 118.16 115.48 1irp n LYS 10 Ca -0.05 -3.21 -0.01 0.00 -2.02 0.00 0.00 58.31 53.01 1irp n LYS 10 Cb 0.42 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 1irp n LYS 10 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1irp n MET 11 N 0.01 -3.28 -2.08 1.97 0.00 -1.26 -4.88 117.12 107.61 1irp n MET 11 Ca 0.12 2.64 -0.42 0.00 -0.00 0.00 0.00 57.70 60.04 1irp n MET 11 Cb 0.78 -4.51 0.00 0.00 0.00 0.00 0.00 33.22 29.49 1irp n MET 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1irp n GLN 12 N 1.14 3.36 -2.34 2.12 6.02 -1.26 -4.99 117.38 121.43 1irp n GLN 12 Ca -0.11 -3.16 -0.42 0.00 -0.01 0.00 0.00 57.00 53.30 1irp n GLN 12 Cb 0.23 -3.05 -0.03 0.00 1.02 0.00 0.00 30.24 28.42 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 1.42 3.56 0.06 -1.58 0.00 -1.26 -1.91 121.76 122.04 1irp s ALA 13 Ca 0.43 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 53.07 1irp s ALA 13 Cb 0.12 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1irp s ALA 13 CO -0.03 -0.90 0.05 0.12 0.00 0.00 0.00 175.76 175.00 1irp s PHE 14 N 2.52 0.38 -0.05 0.00 5.36 0.19 -1.47 117.98 124.91 1irp s PHE 14 Ca 0.60 -0.88 -0.00 0.00 -0.96 0.00 0.00 56.93 55.68 1irp s PHE 14 Cb -0.27 -0.27 0.03 0.00 -0.34 0.00 0.00 43.02 42.17 1irp s PHE 14 CO 0.23 -0.43 0.00 0.50 -1.46 0.00 0.00 175.22 174.06 1irp s ARG 15 N -3.84 0.45 -0.30 10.12 3.52 0.05 -1.89 118.95 127.06 1irp s ARG 15 Ca 0.06 0.10 -0.06 0.00 -0.13 0.00 0.00 55.73 55.69 1irp s ARG 15 Cb 0.07 -0.73 0.02 0.00 -1.56 0.00 0.00 34.95 32.74 1irp s ARG 15 CO -0.10 -0.21 0.07 0.96 -0.81 0.00 0.00 175.30 175.20 1irp s ILE 16 N 1.51 3.80 0.16 4.11 -4.36 -1.26 -1.83 121.20 123.33 1irp s ILE 16 Ca -0.03 -0.82 -0.15 0.00 -0.26 0.00 0.00 60.65 59.39 1irp s ILE 16 Cb -0.13 -2.99 0.02 0.00 1.25 0.00 0.00 42.46 40.61 1irp s ILE 16 CO -0.03 0.04 0.43 -1.66 0.24 0.00 0.00 174.94 173.97 1irp s TRP 17 N 1.46 -0.05 0.05 1.37 1.48 -0.90 -2.05 118.94 120.30 1irp s TRP 17 Ca 0.01 -0.29 0.03 0.00 -1.06 0.00 0.00 56.10 54.80 1irp s TRP 17 Cb -0.18 0.26 -0.02 0.00 -1.16 0.00 0.00 33.47 32.37 1irp s TRP 17 CO 0.02 -0.80 -0.10 0.16 -4.06 0.00 0.00 176.95 172.16 1irp s ASP 18 N -2.87 1.16 0.00 -2.66 -4.77 -0.05 -0.36 116.67 107.13 1irp s ASP 18 Ca 0.08 -0.55 0.00 0.00 -3.30 0.00 0.00 52.55 48.79 1irp s ASP 18 Cb 0.01 -0.00 0.00 0.00 -1.09 0.00 0.00 42.92 41.83 1irp s ASP 18 CO -0.05 -0.14 0.00 0.52 0.70 0.00 0.00 175.17 176.20 1irp n VAL 19 N 1.49 0.00 -0.62 2.11 0.31 -1.26 -2.00 118.33 118.36 1irp n VAL 19 Ca -0.22 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.08 1irp n VAL 19 Cb 0.55 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.42 1irp n VAL 19 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1irp n ASN 20 N 0.12 4.93 -3.68 4.52 2.85 -1.26 -4.78 115.26 117.95 1irp n ASN 20 Ca 0.00 -2.34 -0.23 0.00 -0.11 0.00 0.00 54.58 51.90 1irp n ASN 20 Cb 0.00 -1.14 0.05 0.00 1.24 0.00 0.00 39.78 39.93 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 1.88 -5.86 -3.35 1.20 6.02 -1.02 -5.00 117.38 111.26 1irp n GLN 21 Ca 0.14 0.69 -0.43 0.00 -0.01 0.00 0.00 57.00 57.39 1irp n GLN 21 Cb 0.60 -5.49 -0.09 0.00 1.02 0.00 0.00 30.24 26.27 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 -6.05 3.11 0.16 -1.09 1.02 -0.85 -4.59 119.74 111.45 1irp s LYS 22 Ca 0.24 -0.77 0.07 0.00 0.02 0.00 0.00 55.97 55.53 1irp s LYS 22 Cb -0.12 -3.96 -0.04 0.00 -0.52 0.00 0.00 37.83 33.20 1irp s LYS 22 CO 0.79 -0.81 0.01 0.95 -0.92 0.00 0.00 175.35 175.36 1irp s THR 23 N 2.06 3.81 -0.35 2.17 -4.23 0.27 -0.87 115.64 118.51 1irp s THR 23 Ca 0.11 -1.32 -0.25 0.00 -1.18 0.00 0.00 61.69 59.05 1irp s THR 23 Cb -0.17 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.78 1irp s THR 23 CO 0.13 -0.06 0.86 0.12 -0.54 0.00 0.00 174.62 175.13 1irp s PHE 24 N -1.64 3.12 0.04 3.99 2.19 -0.87 -1.02 117.98 123.79 1irp s PHE 24 Ca 0.27 0.74 -0.27 0.00 0.33 0.00 0.00 56.93 58.00 1irp s PHE 24 Cb -0.10 -3.48 0.08 0.00 -1.31 0.00 0.00 43.02 38.21 1irp s PHE 24 CO 0.19 -0.74 0.71 1.52 1.83 0.00 0.00 175.22 178.73 1irp s TYR 25 N 3.25 -0.52 0.50 10.12 1.13 -1.08 -4.86 117.35 125.89 1irp s TYR 25 Ca 0.35 0.57 0.06 0.00 -1.41 0.00 0.00 57.07 56.64 1irp s TYR 25 Cb -0.13 0.50 0.04 0.00 -1.10 0.00 0.00 41.96 41.27 1irp s TYR 25 CO 0.17 -0.67 0.69 -0.48 -2.51 0.00 0.00 175.55 172.74 1irp s LEU 26 N -2.09 3.43 0.04 -3.49 -0.00 -1.26 -0.90 118.68 114.42 1irp s LEU 26 Ca -0.02 -0.37 -0.00 0.00 -0.00 0.00 0.00 54.13 53.73 1irp s LEU 26 Cb -0.01 -2.52 -0.00 0.00 -0.00 0.00 0.00 46.19 43.66 1irp s LEU 26 CO -0.04 -1.02 -0.01 -2.11 -0.00 0.00 0.00 176.35 173.17 1irp n ARG 27 N -2.11 0.02 0.00 1.48 1.85 -1.24 -4.89 116.66 111.77 1irp n ARG 27 Ca 0.10 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1irp n ARG 27 Cb 0.60 -0.53 0.00 0.00 -1.05 0.00 0.00 32.46 31.48 1irp n ARG 27 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1irp n ASN 28 N -3.30 0.00 -3.11 2.89 5.15 -1.26 -4.99 115.26 110.64 1irp n ASN 28 Ca -0.01 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.81 1irp n ASN 28 Cb 0.25 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.49 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 -1.88 0.50 -3.74 1.20 5.15 -1.26 -5.02 115.26 110.22 1irp n ASN 29 Ca 0.00 -3.07 -0.12 0.00 -0.60 0.00 0.00 54.58 50.79 1irp n ASN 29 Cb 0.00 -0.33 -0.11 0.00 -0.53 0.00 0.00 39.78 38.82 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 -2.16 0.38 -0.90 1.20 1.11 -1.26 -5.09 119.66 112.95 1irp s GLN 30 Ca 0.37 0.57 -0.21 0.00 0.01 0.00 0.00 55.36 56.10 1irp s GLN 30 Cb 0.35 0.11 0.09 0.00 -1.01 0.00 0.00 33.01 32.55 1irp s GLN 30 CO -0.07 -0.09 1.20 -0.51 0.01 0.00 0.00 175.29 175.83 1irp s LEU 31 N 0.61 4.41 0.71 2.90 1.43 -1.26 -3.62 118.68 123.86 1irp s LEU 31 Ca -0.03 -1.62 -0.06 0.00 -1.03 0.00 0.00 54.13 51.38 1irp s LEU 31 Cb -0.05 -2.46 0.07 0.00 0.03 0.00 0.00 46.19 43.78 1irp s LEU 31 CO -0.04 -1.29 1.02 -0.69 0.23 0.00 0.00 176.35 175.58 1irp s VAL 32 N 3.71 2.27 0.08 -1.59 1.01 -0.07 -2.02 120.40 123.78 1irp s VAL 32 Ca 0.35 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1irp s VAL 32 Cb -0.06 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1irp s VAL 32 CO -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 175.10 174.91 1irp s ALA 33 N -3.25 1.21 0.00 5.51 0.00 -0.35 -2.65 121.76 122.23 1irp s ALA 33 Ca 0.61 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1irp s ALA 33 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1irp s ALA 33 CO 0.45 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.76 1irp n GLY 34 N 1.14 1.25 2.77 0.00 0.00 -0.19 -3.55 105.19 106.61 1irp n GLY 34 Ca -0.20 0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 1irp n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1irp s TYR 35 N 0.00 -0.39 0.00 1.61 2.02 -1.26 -0.56 117.35 118.77 1irp s TYR 35 Ca 0.00 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 1irp s TYR 35 Cb 0.00 -0.41 0.00 0.00 -0.40 0.00 0.00 41.96 41.15 1irp s TYR 35 CO 0.00 -0.96 0.00 1.47 -1.57 0.00 0.00 175.55 174.49 1irp n LEU 36 N 4.64 0.00 -3.63 -1.29 -0.00 -1.23 -4.49 117.00 110.99 1irp n LEU 36 Ca 0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.92 1irp n LEU 36 Cb 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.80 1irp n LEU 36 CO 0.05 0.00 0.31 -1.58 -0.00 0.00 0.00 177.39 176.18 1irp s GLN 37 N 0.00 0.83 0.00 1.47 0.74 -1.26 -4.85 119.66 116.59 1irp s GLN 37 Ca 0.00 0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.92 1irp s GLN 37 Cb 0.00 0.39 0.00 0.00 1.10 0.00 0.00 33.01 34.50 1irp s GLN 37 CO 0.00 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 174.97 1irp n GLY 38 N 1.93 1.26 3.65 2.59 0.00 -1.26 -5.00 105.19 108.36 1irp n GLY 38 Ca -0.17 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1irp n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1irp s PRO 39 N 0.00 4.14 -0.24 1.61 0.04 -1.26 -4.96 135.00 134.34 1irp s PRO 39 Ca 0.00 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 1irp s PRO 39 Cb 0.00 -3.77 -0.14 0.00 0.04 0.00 0.00 34.50 30.63 1irp s PRO 39 CO 0.00 -0.81 -0.23 0.09 0.04 0.00 0.00 177.00 176.08 1irp n ASN 40 N 6.83 2.09 -4.26 6.66 3.02 -1.26 -4.94 115.26 123.40 1irp n ASN 40 Ca 0.14 -0.03 -0.23 0.00 -0.03 0.00 0.00 54.58 54.43 1irp n ASN 40 Cb 0.46 -0.45 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 1irp n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1irp s VAL 41 N -2.47 1.56 -1.46 2.41 0.11 -1.26 -4.82 120.40 114.48 1irp s VAL 41 Ca -0.32 -1.47 -0.08 0.00 -2.93 0.00 0.00 61.98 57.17 1irp s VAL 41 Cb 0.09 -1.43 0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1irp s VAL 41 CO 0.52 -0.09 0.91 0.59 -3.33 0.00 0.00 175.10 173.70 1irp n ASN 42 N 1.16 -6.07 -0.00 3.54 3.02 -1.26 -4.94 115.26 110.71 1irp n ASN 42 Ca -0.20 -0.45 -0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1irp n ASN 42 Cb 0.54 -4.84 -0.00 0.00 -0.61 0.00 0.00 39.78 34.87 1irp n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1irp n LEU 43 N -4.55 0.00 -4.74 3.41 -0.00 -1.26 -5.06 117.00 104.81 1irp n LEU 43 Ca -0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.56 1irp n LEU 43 Cb 0.58 0.01 -0.02 0.00 -0.00 0.00 0.00 43.42 43.99 1irp n LEU 43 CO 0.58 0.01 1.26 -0.70 -0.00 0.00 0.00 177.39 178.54 1irp s GLU 44 N -2.02 4.15 0.00 1.47 2.12 -1.26 -5.01 118.70 118.14 1irp s GLU 44 Ca -0.00 2.54 0.00 0.00 0.36 0.00 0.00 54.97 57.86 1irp s GLU 44 Cb 0.00 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.34 1irp s GLU 44 CO 0.02 -0.64 0.00 -0.85 -0.54 0.00 0.00 175.26 173.26 1irp n GLU 45 N 2.78 0.00 -3.63 4.30 -0.00 -1.26 -5.14 120.64 117.68 1irp n GLU 45 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 57.16 1irp n GLU 45 Cb 0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.74 1irp n GLU 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1irp s LYS 46 N 1.34 0.58 0.27 3.44 2.47 -1.26 -5.05 119.74 121.53 1irp s LYS 46 Ca 0.00 0.68 -0.04 0.00 -1.56 0.00 0.00 55.97 55.05 1irp s LYS 46 Cb 0.00 0.28 -0.05 0.00 -1.46 0.00 0.00 37.83 36.60 1irp s LYS 46 CO 0.00 -0.07 0.52 -1.50 0.16 0.00 0.00 175.35 174.46 1irp s ILE 47 N 0.24 5.06 -0.20 5.43 2.07 -0.79 -1.83 121.20 131.17 1irp s ILE 47 Ca 0.02 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 1irp s ILE 47 Cb -0.05 -3.73 0.03 0.00 0.13 0.00 0.00 42.46 38.84 1irp s ILE 47 CO -0.04 -0.29 -0.17 -0.62 -1.91 0.00 0.00 174.94 171.90 1irp s ASP 48 N -3.17 3.50 -0.33 4.50 -1.08 -0.28 -0.64 116.67 119.18 1irp s ASP 48 Ca 0.43 -0.87 -0.23 0.00 -0.52 0.00 0.00 52.55 51.36 1irp s ASP 48 Cb -0.11 -1.48 0.00 0.00 -1.46 0.00 0.00 42.92 39.87 1irp s ASP 48 CO 0.30 -0.06 0.75 -0.69 0.52 0.00 0.00 175.17 175.98 1irp s VAL 49 N 1.25 4.81 -0.39 1.11 1.01 -0.80 -0.48 120.40 126.90 1irp s VAL 49 Ca 0.01 0.99 -0.03 0.00 0.00 0.00 0.00 61.98 62.95 1irp s VAL 49 Cb -0.15 -4.13 0.10 0.00 0.00 0.00 0.00 36.38 32.20 1irp s VAL 49 CO -0.10 -0.29 0.17 -0.69 0.00 0.00 0.00 175.10 174.19 1irp s VAL 50 N 2.92 3.24 0.04 2.92 1.01 -0.82 -4.71 120.40 125.00 1irp s VAL 50 Ca 0.30 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.02 1irp s VAL 50 Cb -0.14 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1irp s VAL 50 CO 0.14 -0.61 1.09 -2.16 0.00 0.00 0.00 175.10 173.56 1irp s PRO 51 N 1.15 4.50 0.00 2.72 0.04 -1.26 -1.83 135.00 140.32 1irp s PRO 51 Ca 0.07 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1irp s PRO 51 Cb -0.22 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1irp s PRO 51 CO -0.04 -0.14 0.00 -0.89 0.04 0.00 0.00 177.00 175.97 1irp n ILE 52 N 3.85 0.00 -4.18 0.56 5.41 -0.55 -4.85 119.36 119.60 1irp n ILE 52 Ca 0.07 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.57 1irp n ILE 52 Cb 0.49 -0.10 -0.07 0.00 -0.71 0.00 0.00 39.64 39.24 1irp n ILE 52 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1irp s GLU 53 N 0.00 2.20 0.53 0.38 8.01 -1.17 -4.95 118.70 123.71 1irp s GLU 53 Ca 0.00 -1.90 0.32 0.00 0.01 0.00 0.00 54.97 53.40 1irp s GLU 53 Cb 0.00 -1.94 1.47 0.00 -4.31 0.00 0.00 34.13 29.35 1irp s GLU 53 CO 0.00 -0.15 1.86 -1.35 0.01 0.00 0.00 175.26 175.63 1irp h PRO 54 N 1.41 0.04 0.01 0.39 0.11 -2.03 -3.01 132.00 128.92 1irp h PRO 54 Ca -0.43 -0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.34 1irp h PRO 54 Cb 1.26 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 1irp h PRO 54 CO 0.70 0.02 -2.16 1.58 -0.21 0.00 0.00 178.00 177.94 1irp n HIS 55 N -4.27 0.40 -4.18 0.65 -0.00 -1.26 -5.00 115.22 101.57 1irp n HIS 55 Ca 0.21 0.13 -0.30 0.00 -0.00 0.00 0.00 57.72 57.77 1irp n HIS 55 Cb 1.04 -1.07 -0.09 0.00 -0.00 0.00 0.00 29.99 29.87 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 -2.53 3.12 -0.12 1.57 0.00 -1.14 -1.39 121.76 121.26 1irp s ALA 56 Ca -0.12 -1.19 -0.23 0.00 0.00 0.00 0.00 51.96 50.42 1irp s ALA 56 Cb 0.07 -1.03 0.05 0.00 0.00 0.00 0.00 23.12 22.21 1irp s ALA 56 CO 0.80 0.66 0.56 -0.48 0.00 0.00 0.00 175.76 177.30 1irp s LEU 57 N -2.29 -0.15 -0.03 0.00 2.34 -0.51 -1.48 118.68 116.57 1irp s LEU 57 Ca 0.24 0.81 -0.03 0.00 0.06 0.00 0.00 54.13 55.21 1irp s LEU 57 Cb -0.11 2.02 -0.04 0.00 -0.56 0.00 0.00 46.19 47.50 1irp s LEU 57 CO 0.16 -0.38 0.13 0.72 -1.06 0.00 0.00 176.35 175.92 1irp s PHE 58 N -0.49 3.44 0.37 3.48 -0.12 -0.76 -0.39 117.98 123.51 1irp s PHE 58 Ca -0.06 0.32 0.08 0.00 -0.05 0.00 0.00 56.93 57.22 1irp s PHE 58 Cb -0.03 -1.81 -0.03 0.00 -0.63 0.00 0.00 43.02 40.52 1irp s PHE 58 CO 0.04 0.62 0.31 -0.51 -0.05 0.00 0.00 175.22 175.64 1irp s LEU 59 N -1.68 3.49 0.29 -1.99 2.01 -0.95 -1.93 118.68 117.92 1irp s LEU 59 Ca 0.23 -0.62 0.05 0.00 0.01 0.00 0.00 54.13 53.81 1irp s LEU 59 Cb -0.12 -2.11 -0.06 0.00 0.01 0.00 0.00 46.19 43.91 1irp s LEU 59 CO 0.14 -0.47 -0.01 -0.83 1.01 0.00 0.00 176.35 176.19 1irp s GLY 60 N -4.04 1.87 -0.06 -3.19 0.00 0.37 -0.55 107.32 101.72 1irp s GLY 60 Ca 0.43 -1.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.21 1irp s GLY 60 CO 0.27 -1.81 0.01 -1.50 0.00 0.00 0.00 173.10 170.06 1irp s ILE 61 N -3.15 0.30 0.15 0.90 1.10 -0.01 -1.12 121.20 119.36 1irp s ILE 61 Ca 0.31 0.14 -0.20 0.00 -0.51 0.00 0.00 60.65 60.40 1irp s ILE 61 Cb 0.06 -0.45 -0.07 0.00 0.15 0.00 0.00 42.46 42.14 1irp s ILE 61 CO 0.12 0.23 0.65 -1.00 -2.11 0.00 0.00 174.94 172.84 1irp s HIS 62 N 1.83 3.75 0.00 3.50 3.76 -0.76 -1.65 115.29 125.71 1irp s HIS 62 Ca 0.02 1.35 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 1irp s HIS 62 Cb -0.12 -2.57 0.00 0.00 1.11 0.00 0.00 32.58 31.00 1irp s HIS 62 CO -0.04 0.48 0.00 0.41 -0.85 0.00 0.00 174.74 174.74 1irp n GLY 63 N 1.26 2.05 0.34 -2.22 0.00 -1.26 -4.29 105.19 101.06 1irp n GLY 63 Ca -0.06 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.72 1irp n GLY 63 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1irp h GLY 64 N 0.00 1.49 -2.53 -0.02 0.00 -1.96 -3.49 103.07 96.57 1irp h GLY 64 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1irp h GLY 64 CO 0.00 0.12 0.00 1.17 0.00 0.00 0.00 176.54 177.83 1irp n LYS 65 N -4.69 0.00 0.00 4.80 3.00 -0.66 -4.63 118.16 115.97 1irp n LYS 65 Ca 0.17 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 1irp n LYS 65 Cb 0.34 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 34.11 1irp n LYS 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1irp n MET 66 N -0.95 0.00 -4.01 1.64 2.81 -0.91 -1.49 117.12 114.21 1irp n MET 66 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.62 1irp n MET 66 Cb 0.42 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.89 1irp n MET 66 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1irp s LEU 68 N -3.08 2.02 0.08 0.00 1.98 0.29 -0.47 118.68 119.50 1irp s LEU 68 Ca 0.33 -1.06 -0.04 0.00 -2.89 0.00 0.00 54.13 50.46 1irp s LEU 68 Cb -0.11 -0.94 -0.03 0.00 0.66 0.00 0.00 46.19 45.78 1irp s LEU 68 CO 0.26 -0.27 0.08 -0.94 -1.89 0.00 0.00 176.35 173.58 1irp s SER 69 N 1.58 0.31 -0.64 3.68 1.04 -0.90 -2.23 113.70 116.54 1irp s SER 69 Ca -0.03 -0.91 -0.21 0.00 0.48 0.00 0.00 55.95 55.28 1irp s SER 69 Cb -0.18 0.28 0.08 0.00 0.10 0.00 0.00 66.02 66.30 1irp s SER 69 CO -0.08 -0.69 0.88 0.00 0.98 0.00 0.00 173.24 174.34 1irp s VAL 71 N 3.58 0.23 0.48 0.00 0.11 -0.44 -3.44 120.40 120.92 1irp s VAL 71 Ca 0.19 -0.45 -0.20 0.00 -2.93 0.00 0.00 61.98 58.59 1irp s VAL 71 Cb -0.19 -0.26 -0.09 0.00 -1.53 0.00 0.00 36.38 34.31 1irp s VAL 71 CO 0.08 -0.15 1.00 -1.59 -3.33 0.00 0.00 175.10 171.11 1irp s LYS 72 N -0.64 3.95 -0.09 1.54 -2.85 -1.26 -3.47 119.74 116.92 1irp s LYS 72 Ca -0.05 1.20 -0.28 0.00 -1.00 0.00 0.00 55.97 55.85 1irp s LYS 72 Cb -0.05 -2.13 -0.24 0.00 -2.06 0.00 0.00 37.83 33.36 1irp s LYS 72 CO -0.00 -0.28 0.97 0.77 0.10 0.00 0.00 175.35 176.91 1irp h SER 73 N 1.54 0.01 0.00 0.03 0.02 -1.83 -3.48 113.55 109.84 1irp h SER 73 Ca -0.49 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 59.66 1irp h SER 73 Cb 1.20 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1irp h SER 73 CO 0.60 0.81 0.00 0.61 -1.14 0.00 0.00 176.83 177.71 1irp n GLY 74 N 1.07 -1.79 0.07 -3.77 0.00 -1.26 -5.02 105.19 94.48 1irp n GLY 74 Ca -0.09 0.45 -0.06 0.00 0.00 0.00 0.00 46.02 46.32 1irp n GLY 74 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1irp n ASP 75 N -3.00 1.57 -4.84 1.61 5.75 -1.26 -5.06 116.55 111.32 1irp n ASP 75 Ca 0.00 0.39 -0.32 0.00 -0.01 0.00 0.00 54.79 54.85 1irp n ASP 75 Cb 0.00 -0.74 -0.05 0.00 -1.03 0.00 0.00 41.12 39.30 1irp n ASP 75 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1irp s GLU 76 N -2.37 4.01 -0.21 0.11 4.04 -1.26 -5.05 118.70 117.97 1irp s GLU 76 Ca -0.19 0.88 -0.15 0.00 0.04 0.00 0.00 54.97 55.55 1irp s GLU 76 Cb 0.03 -2.23 -0.04 0.00 0.02 0.00 0.00 34.13 31.91 1irp s GLU 76 CO 0.29 -0.11 0.36 0.99 -1.84 0.00 0.00 175.26 174.95 1irp s THR 77 N -2.38 5.23 0.25 1.83 2.01 -1.26 -2.32 115.64 119.00 1irp s THR 77 Ca 0.58 0.62 -0.04 0.00 0.31 0.00 0.00 61.69 63.16 1irp s THR 77 Cb -0.10 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1irp s THR 77 CO 0.24 0.27 0.32 0.00 -0.69 0.00 0.00 174.62 174.76 1irp s ARG 78 N 1.24 1.49 -0.06 4.92 1.70 -1.23 -4.92 118.95 122.09 1irp s ARG 78 Ca 0.17 -1.57 -0.29 0.00 -0.47 0.00 0.00 55.73 53.57 1irp s ARG 78 Cb -0.14 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 1irp s ARG 78 CO 0.07 -0.57 0.97 -1.17 -1.08 0.00 0.00 175.30 173.52 1irp s LEU 79 N -3.15 4.30 0.03 -1.89 2.96 -1.26 -1.32 118.68 118.34 1irp s LEU 79 Ca 0.32 1.54 0.01 0.00 -0.22 0.00 0.00 54.13 55.79 1irp s LEU 79 Cb 0.03 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 1irp s LEU 79 CO 0.14 -0.35 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.68 1irp s GLN 80 N 1.53 0.37 -0.91 1.98 -1.52 -0.17 -4.95 119.66 115.99 1irp s GLN 80 Ca 0.49 -0.62 -0.21 0.00 -1.95 0.00 0.00 55.36 53.07 1irp s GLN 80 Cb -0.19 -0.05 0.10 0.00 -0.22 0.00 0.00 33.01 32.65 1irp s GLN 80 CO 0.22 -0.01 1.19 -0.48 -0.25 0.00 0.00 175.29 175.96 1irp s LEU 81 N -1.39 4.52 -1.22 2.90 0.05 -1.26 -2.13 118.68 120.15 1irp s LEU 81 Ca -0.13 -1.71 -0.20 0.00 0.05 0.00 0.00 54.13 52.15 1irp s LEU 81 Cb -0.09 -2.45 0.05 0.00 -2.05 0.00 0.00 46.19 41.65 1irp s LEU 81 CO -0.00 -1.25 1.69 -0.70 -0.55 0.00 0.00 176.35 175.54 1irp s GLU 82 N 3.54 3.76 -0.11 1.48 2.12 0.38 -4.95 118.70 124.91 1irp s GLU 82 Ca 0.35 -1.70 -0.30 0.00 0.36 0.00 0.00 54.97 53.68 1irp s GLU 82 Cb -0.05 -5.47 -0.01 0.00 0.26 0.00 0.00 34.13 28.86 1irp s GLU 82 CO -0.06 -2.39 1.07 0.00 -0.54 0.00 0.00 175.26 173.33 1irp s ALA 83 N 5.01 3.48 0.13 6.30 0.00 -1.26 -1.42 121.76 133.99 1irp s ALA 83 Ca 0.54 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.94 1irp s ALA 83 Cb 0.03 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1irp s ALA 83 CO 0.04 -0.73 -0.09 0.08 0.00 0.00 0.00 175.76 175.06 1irp s VAL 84 N 2.29 0.98 -0.14 0.00 1.01 -0.55 -4.97 120.40 119.02 1irp s VAL 84 Ca 0.50 -2.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 1irp s VAL 84 Cb -0.19 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1irp s VAL 84 CO 0.17 -0.79 1.13 0.54 0.00 0.00 0.00 175.10 176.15 1irp s ASN 85 N -3.12 7.08 -0.44 3.32 2.20 -1.26 -4.66 114.94 118.06 1irp s ASN 85 Ca 0.15 1.60 -0.28 0.00 -0.94 0.00 0.00 52.86 53.39 1irp s ASN 85 Cb 0.04 -2.55 0.03 0.00 -2.00 0.00 0.00 41.25 36.77 1irp s ASN 85 CO -0.01 -0.63 1.10 -0.51 -2.94 0.00 0.00 177.10 174.10 1irp s ILE 86 N 2.80 4.31 0.00 0.54 1.10 -1.26 -4.69 121.20 124.00 1irp s ILE 86 Ca 0.51 1.28 0.00 0.00 -0.51 0.00 0.00 60.65 61.93 1irp s ILE 86 Cb -0.20 -4.54 0.00 0.00 0.15 0.00 0.00 42.46 37.87 1irp s ILE 86 CO 0.15 -0.86 0.00 1.07 -2.11 0.00 0.00 174.94 173.18 1irp n THR 87 N 6.56 0.00 -0.06 4.00 5.66 -1.26 -5.01 114.28 124.18 1irp n THR 87 Ca 0.11 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.08 1irp n THR 87 Cb 0.48 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.00 -1.03 1.09 1.82 -2.04 -3.49 116.42 112.77 1irp h ASP 88 Ca 0.00 -0.13 -0.35 0.00 -0.39 0.00 0.00 57.03 56.15 1irp h ASP 88 Cb 0.00 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 39.89 1irp h ASP 88 CO 0.00 0.64 -0.34 0.18 -1.61 0.00 0.00 179.24 178.11 1irp n LEU 89 N -4.72 -1.32 -3.00 2.28 4.77 -1.26 -4.95 117.00 108.80 1irp n LEU 89 Ca -0.04 0.37 -0.38 0.00 -0.03 0.00 0.00 56.01 55.94 1irp n LEU 89 Cb 0.13 -2.47 0.03 0.00 -2.33 0.00 0.00 43.42 38.78 1irp n LEU 89 CO 0.07 -0.82 1.31 -0.24 -1.33 0.00 0.00 177.39 176.38 1irp n SER 90 N -0.85 7.04 -4.48 -1.43 2.88 -1.26 -4.98 113.62 110.54 1irp n SER 90 Ca -0.18 -3.79 -0.43 0.00 -1.33 0.00 0.00 58.87 53.14 1irp n SER 90 Cb 0.58 -0.99 -0.03 0.00 -0.75 0.00 0.00 64.21 63.02 1irp n SER 90 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1irp s GLU 91 N -4.04 3.50 0.25 -1.46 2.02 -1.26 -5.02 118.70 112.68 1irp s GLU 91 Ca 0.49 -1.40 -0.30 0.00 0.02 0.00 0.00 54.97 53.78 1irp s GLU 91 Cb 0.38 -4.87 -0.09 0.00 0.10 0.00 0.00 34.13 29.66 1irp s GLU 91 CO -0.33 -1.89 0.97 1.21 0.02 0.00 0.00 175.26 175.24 1irp s ASN 92 N 3.95 7.59 -1.55 -0.19 3.84 -1.26 -4.90 114.94 122.41 1irp s ASN 92 Ca 0.34 2.00 -0.10 0.00 0.21 0.00 0.00 52.86 55.31 1irp s ASN 92 Cb -0.06 -2.61 -0.07 0.00 -0.55 0.00 0.00 41.25 37.95 1irp s ASN 92 CO -0.05 0.11 2.81 -2.11 -2.79 0.00 0.00 177.10 175.07 1irp n ARG 93 N 1.46 3.47 -4.17 0.43 -4.01 -1.26 -4.89 116.66 107.69 1irp n ARG 93 Ca -0.02 -2.19 -0.16 0.00 -1.04 0.00 0.00 57.85 54.44 1irp n ARG 93 Cb 0.47 -2.83 -0.11 0.00 -3.04 0.00 0.00 32.46 26.94 1irp n ARG 93 CO 0.00 0.00 0.00 0.21 -3.04 0.00 0.00 177.63 174.80 1irp s LYS 94 N 2.41 0.82 0.01 2.89 2.47 -1.26 -4.29 119.74 122.78 1irp s LYS 94 Ca 0.65 -1.05 -0.24 0.00 -1.56 0.00 0.00 55.97 53.77 1irp s LYS 94 Cb 0.17 -0.64 -0.05 0.00 -1.46 0.00 0.00 37.83 35.85 1irp s LYS 94 CO -0.06 0.12 0.74 -1.14 0.16 0.00 0.00 175.35 175.17 1irp s GLN 95 N -2.28 4.46 0.00 4.03 0.74 -1.26 -5.04 119.66 120.31 1irp s GLN 95 Ca 0.01 0.99 0.00 0.00 0.05 0.00 0.00 55.36 56.41 1irp s GLN 95 Cb -0.06 -3.39 0.00 0.00 1.10 0.00 0.00 33.01 30.66 1irp s GLN 95 CO 0.01 0.23 0.07 -3.47 -0.55 0.00 0.00 175.29 171.58 1irp n ASP 96 N 3.08 0.00 0.00 6.67 2.03 -1.26 -4.96 116.55 122.11 1irp n ASP 96 Ca -0.02 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1irp n ASP 96 Cb 0.51 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.55 0.84 0.00 -0.67 4.01 -1.26 -5.11 118.16 114.42 1irp n LYS 97 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1irp n LYS 97 Cb 0.00 -0.47 0.00 0.00 -0.51 0.00 0.00 35.03 34.05 1irp n LYS 97 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1irp n ARG 98 N -0.43 0.00 -0.39 1.97 1.74 -1.26 -4.92 116.66 113.37 1irp n ARG 98 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1irp n ARG 98 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1irp n ARG 98 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1irp n PHE 99 N 0.00 0.00 -4.32 -1.55 3.72 -1.22 -4.75 117.46 109.34 1irp n PHE 99 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 1irp n PHE 99 Cb 0.00 -1.16 -0.12 0.00 -0.94 0.00 0.00 39.48 37.25 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 -0.54 1.98 -0.08 4.37 0.00 -0.82 -4.13 121.76 122.53 1irp s ALA 100 Ca 0.00 -1.34 -0.18 0.00 0.00 0.00 0.00 51.96 50.44 1irp s ALA 100 Cb 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 1irp s ALA 100 CO 0.00 0.39 0.48 -0.06 0.00 0.00 0.00 175.76 176.57 1irp s PHE 101 N -1.27 3.57 -0.21 0.00 0.40 0.48 -1.08 117.98 119.87 1irp s PHE 101 Ca 0.10 0.95 -0.12 0.00 -0.60 0.00 0.00 56.93 57.25 1irp s PHE 101 Cb -0.09 -2.52 -0.05 0.00 0.51 0.00 0.00 43.02 40.87 1irp s PHE 101 CO 0.05 0.27 0.24 0.42 0.70 0.00 0.00 175.22 176.90 1irp s ILE 102 N 0.23 5.31 -0.60 0.64 1.01 -0.79 -1.42 121.20 125.58 1irp s ILE 102 Ca 0.26 0.38 -0.11 0.00 0.00 0.00 0.00 60.65 61.18 1irp s ILE 102 Cb -0.16 -3.58 0.15 0.00 0.01 0.00 0.00 42.46 38.88 1irp s ILE 102 CO 0.12 0.34 0.50 -0.60 0.00 0.00 0.00 174.94 175.29 1irp s ARG 103 N 0.97 2.89 -0.56 2.79 3.00 -0.49 -1.90 118.95 125.65 1irp s ARG 103 Ca 0.12 -2.03 -0.23 0.00 -1.00 0.00 0.00 55.73 52.59 1irp s ARG 103 Cb -0.13 -4.12 0.05 0.00 0.00 0.00 0.00 34.95 30.75 1irp s ARG 103 CO 0.05 -1.25 0.90 -1.12 0.00 0.00 0.00 175.30 173.88 1irp s SER 104 N 2.51 6.30 0.21 -2.12 0.01 -1.26 -4.84 113.70 114.50 1irp s SER 104 Ca 0.10 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1irp s SER 104 Cb -0.22 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1irp s SER 104 CO -0.02 -1.22 0.01 -0.90 0.41 0.00 0.00 173.24 171.52 1irp n ASP 105 N 7.33 2.53 0.00 2.44 5.75 -1.26 -3.39 116.55 129.94 1irp n ASP 105 Ca -0.00 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1irp n ASP 105 Cb 0.47 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1irp n ASP 105 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1irp n SER 106 N -1.16 0.00 0.00 -1.12 7.64 -1.26 -5.05 113.62 112.67 1irp n SER 106 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1irp n SER 106 Cb 0.26 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 -1.44 -2.11 0.17 0.23 0.00 -1.26 -5.06 105.19 95.72 1irp n GLY 107 Ca 0.00 0.65 -0.17 0.00 0.00 0.00 0.00 46.02 46.50 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 0.53 -3.77 1.61 0.13 -2.00 -3.49 132.00 125.02 1irp h PRO 108 Ca 0.00 -0.51 -0.11 0.00 -0.87 0.00 0.00 66.00 64.52 1irp h PRO 108 Cb 0.00 0.13 -0.16 0.00 0.13 0.00 0.00 31.00 31.10 1irp h PRO 108 CO 0.00 1.14 -0.44 0.95 -0.23 0.00 0.00 178.00 179.42 1irp s THR 109 N -3.42 0.14 0.00 1.56 -4.23 -1.26 -4.71 115.64 103.72 1irp s THR 109 Ca -0.12 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1irp s THR 109 Cb 0.05 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.76 1irp s THR 109 CO 0.85 -0.62 0.00 1.07 -0.54 0.00 0.00 174.62 175.37 1irp n THR 110 N 0.37 0.00 -4.09 3.99 5.66 0.24 -4.39 114.28 116.05 1irp n THR 110 Ca -0.17 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.72 1irp n THR 110 Cb 0.60 -0.18 -0.07 0.00 -1.55 0.00 0.00 70.33 69.13 1irp n THR 110 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1irp s SER 111 N 0.44 0.11 -0.40 1.09 0.15 -1.22 -1.96 113.70 111.92 1irp s SER 111 Ca 0.00 -1.17 -0.02 0.00 0.70 0.00 0.00 55.95 55.46 1irp s SER 111 Cb 0.00 0.51 0.11 0.00 -1.71 0.00 0.00 66.02 64.93 1irp s SER 111 CO 0.00 -1.03 0.18 -0.36 1.20 0.00 0.00 173.24 173.24 1irp s PHE 112 N -4.00 3.62 0.34 3.44 0.08 -0.82 -4.24 117.98 116.40 1irp s PHE 112 Ca 0.30 -2.50 -0.08 0.00 0.12 0.00 0.00 56.93 54.77 1irp s PHE 112 Cb 0.03 -3.19 -0.06 0.00 -0.57 0.00 0.00 43.02 39.23 1irp s PHE 112 CO 0.11 -0.97 0.66 -1.21 -0.10 0.00 0.00 175.22 173.71 1irp s GLU 113 N 1.10 3.71 -0.07 0.44 2.02 -0.80 -1.21 118.70 123.89 1irp s GLU 113 Ca 0.09 0.24 -0.26 0.00 0.02 0.00 0.00 54.97 55.05 1irp s GLU 113 Cb -0.22 -2.52 0.06 0.00 0.10 0.00 0.00 34.13 31.55 1irp s GLU 113 CO -0.05 0.09 0.60 -1.12 0.02 0.00 0.00 175.26 174.80 1irp s SER 114 N -3.15 -0.57 0.00 -0.19 0.01 0.46 -1.89 113.70 108.38 1irp s SER 114 Ca 0.48 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.42 1irp s SER 114 Cb -0.10 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1irp s SER 114 CO 0.30 -0.51 0.00 0.00 0.41 0.00 0.00 173.24 173.44 1irp n ALA 115 N 1.29 0.00 -1.23 1.44 0.00 -0.24 -1.88 120.51 119.90 1irp n ALA 115 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1irp n ALA 115 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 1.32 0.22 -0.04 0.00 0.00 -1.25 -1.95 120.51 118.81 1irp n ALA 116 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1irp n ALA 116 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.91 1.93 0.00 0.00 0.04 -1.26 -4.54 135.00 129.27 1irp s PRO 118 Ca -0.13 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1irp s PRO 118 Cb 0.02 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1irp s PRO 118 CO 0.19 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.73 1irp n GLY 119 N -0.70 1.45 3.03 0.56 0.00 -1.26 -4.51 105.19 103.77 1irp n GLY 119 Ca 0.10 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.45 -0.08 1.61 -0.00 -0.79 -4.18 118.94 115.05 1irp s TRP 120 Ca 0.00 1.02 -0.03 0.00 -0.00 0.00 0.00 56.10 57.09 1irp s TRP 120 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 33.47 33.52 1irp s TRP 120 CO 0.00 -0.36 0.11 -0.59 -0.00 0.00 0.00 176.95 176.11 1irp s PHE 121 N 2.37 -0.04 0.00 5.86 -0.71 0.16 -0.40 117.98 125.22 1irp s PHE 121 Ca 0.00 0.33 0.00 0.00 -1.04 0.00 0.00 56.93 56.22 1irp s PHE 121 Cb -0.12 -0.41 0.00 0.00 -1.21 0.00 0.00 43.02 41.28 1irp s PHE 121 CO -0.09 -0.29 0.00 -0.11 -1.34 0.00 0.00 175.22 173.40 1irp n LEU 122 N 5.31 0.00 0.00 -1.99 0.00 -0.35 -1.96 117.00 118.01 1irp n LEU 122 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.97 1irp n LEU 122 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.92 1irp n LEU 122 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.45 1irp s THR 124 N 1.11 0.83 0.72 0.00 2.01 -1.25 -1.79 115.64 117.27 1irp s THR 124 Ca 0.00 -1.04 -0.16 0.00 0.31 0.00 0.00 61.69 60.80 1irp s THR 124 Cb 0.00 -0.81 0.03 0.00 0.01 0.00 0.00 72.50 71.73 1irp s THR 124 CO 0.00 -0.19 1.24 0.00 -0.69 0.00 0.00 174.62 174.98 1irp n ALA 125 N 1.67 0.57 0.09 7.40 0.00 -0.88 -3.14 120.51 126.22 1irp n ALA 125 Ca -0.20 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 1irp n ALA 125 Cb 0.55 -2.28 -0.08 0.00 0.00 0.00 0.00 19.45 17.63 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 -0.13 -0.19 -6.78 0.00 4.05 -1.93 -3.44 114.93 106.50 1irp h MET 126 Ca -0.49 0.01 -0.49 0.00 -0.28 0.00 0.00 59.70 58.46 1irp h MET 126 Cb 1.32 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.15 1irp h MET 126 CO 0.50 0.02 0.36 -1.21 0.23 0.00 0.00 176.91 176.81 1irp s GLU 127 N -5.42 4.78 -1.50 0.39 0.41 -1.26 -4.98 118.70 111.11 1irp s GLU 127 Ca -0.14 1.49 -0.10 0.00 -0.41 0.00 0.00 54.97 55.80 1irp s GLU 127 Cb 0.04 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 1irp s GLU 127 CO 0.63 0.44 2.57 0.00 -0.49 0.00 0.00 175.26 178.42 1irp n ALA 128 N 1.28 6.69 0.00 5.21 0.00 -1.26 -3.69 120.51 128.74 1irp n ALA 128 Ca -0.01 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.64 1irp n ALA 128 Cb 0.47 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.63 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 4.04 0.00 -2.03 0.00 2.03 -1.23 -3.57 116.55 115.78 1irp n ASP 129 Ca 0.65 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.96 1irp n ASP 129 Cb 0.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1irp n ASP 129 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1irp n GLN 130 N -0.19 0.15 -2.29 -0.67 10.64 -1.24 -4.64 117.38 119.14 1irp n GLN 130 Ca 0.00 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.03 1irp n GLN 130 Cb 0.00 0.00 0.05 0.00 -0.86 0.00 0.00 30.24 29.43 1irp n GLN 130 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1irp n PRO 131 N -0.95 0.60 -2.59 2.61 -0.04 -1.26 -1.21 135.00 132.16 1irp n PRO 131 Ca 0.00 -2.12 -0.39 0.00 -0.04 0.00 0.00 63.50 60.95 1irp n PRO 131 Cb 0.00 -0.23 -0.05 0.00 -0.04 0.00 0.00 33.50 33.18 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 -1.62 3.74 -0.18 0.52 0.11 -0.86 -2.08 120.40 120.04 1irp s VAL 132 Ca 0.43 1.67 -0.10 0.00 -2.93 0.00 0.00 61.98 61.05 1irp s VAL 132 Cb -0.03 -4.03 0.06 0.00 -1.53 0.00 0.00 36.38 30.84 1irp s VAL 132 CO 0.28 0.34 0.43 -0.55 -3.33 0.00 0.00 175.10 172.27 1irp s SER 133 N -1.11 -0.55 0.31 3.54 0.15 -0.74 -4.88 113.70 110.43 1irp s SER 133 Ca 0.46 0.94 0.09 0.00 0.70 0.00 0.00 55.95 58.13 1irp s SER 133 Cb -0.28 0.83 -0.05 0.00 -1.71 0.00 0.00 66.02 64.81 1irp s SER 133 CO 0.35 -0.19 0.05 -0.76 1.20 0.00 0.00 173.24 173.89 1irp s LEU 134 N 1.32 3.17 0.10 3.45 2.01 -1.26 -1.84 118.68 125.63 1irp s LEU 134 Ca -0.09 -0.77 0.10 0.00 0.01 0.00 0.00 54.13 53.38 1irp s LEU 134 Cb -0.08 -1.64 -0.04 0.00 0.01 0.00 0.00 46.19 44.45 1irp s LEU 134 CO -0.12 -0.16 -0.25 0.28 1.01 0.00 0.00 176.35 177.11 1irp s THR 135 N -2.40 2.05 0.19 5.49 -1.32 -0.83 -4.66 115.64 114.16 1irp s THR 135 Ca 0.34 -1.58 0.07 0.00 -1.21 0.00 0.00 61.69 59.31 1irp s THR 135 Cb -0.04 -1.81 -0.12 0.00 -1.51 0.00 0.00 72.50 69.02 1irp s THR 135 CO 0.21 0.12 1.43 -1.13 -2.21 0.00 0.00 174.62 173.04 1irp h ASN 136 N 4.20 0.09 0.00 8.08 -0.73 -1.85 0.48 115.58 125.85 1irp h ASN 136 Ca -0.48 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 57.62 1irp h ASN 136 Cb 1.17 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.73 1irp h ASN 136 CO 0.40 0.87 0.00 0.80 -0.37 0.00 0.00 177.43 179.14 1irp n MET 137 N -3.62 0.00 -2.46 6.67 0.00 -1.26 -4.81 117.12 111.64 1irp n MET 137 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.26 1irp n MET 137 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.97 1irp n MET 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1irp s PRO 138 N -2.00 4.35 -0.28 2.12 0.02 -1.26 -5.03 135.00 132.92 1irp s PRO 138 Ca 0.00 1.67 -0.19 0.00 0.02 0.00 0.00 61.00 62.50 1irp s PRO 138 Cb 0.00 -3.56 0.09 0.00 0.02 0.00 0.00 34.50 31.05 1irp s PRO 138 CO 0.00 -0.45 0.75 0.34 -0.33 0.00 0.00 177.00 177.31 1irp s ASP 139 N 1.48 -0.81 -0.27 2.53 2.15 -1.26 -4.91 116.67 115.58 1irp s ASP 139 Ca 0.56 1.39 0.10 0.00 0.43 0.00 0.00 52.55 55.02 1irp s ASP 139 Cb -0.25 1.36 0.46 0.00 -0.30 0.00 0.00 42.92 44.20 1irp s ASP 139 CO 0.22 -0.23 1.18 -0.62 -0.17 0.00 0.00 175.17 175.55 1irp n GLU 140 N 3.63 3.11 -2.14 4.34 -0.58 -1.26 -4.97 120.64 122.78 1irp n GLU 140 Ca -0.18 -3.96 -0.05 0.00 -0.42 0.00 0.00 57.16 52.56 1irp n GLU 140 Cb 0.57 -2.09 0.02 0.00 -0.57 0.00 0.00 31.44 29.38 1irp n GLU 140 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1irp n GLY 141 N -0.71 0.27 0.00 0.62 0.00 -1.26 -5.06 105.19 99.05 1irp n GLY 141 Ca 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 1irp n GLY 141 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1irp h VAL 142 N -0.39 0.00 -2.46 1.61 3.04 -1.99 -3.50 116.25 112.57 1irp h VAL 142 Ca -0.18 -0.07 -0.46 0.00 -1.01 0.00 0.00 66.70 64.98 1irp h VAL 142 Cb 1.09 0.00 0.08 0.00 -2.01 0.00 0.00 31.29 30.46 1irp h VAL 142 CO 0.14 0.00 0.12 -0.04 -1.01 0.00 0.00 177.57 176.77 1irp s MET 143 N -1.07 1.77 -0.67 4.17 -1.94 -1.26 -4.96 119.30 115.35 1irp s MET 143 Ca -0.01 -0.95 -0.27 0.00 -1.71 0.00 0.00 55.69 52.75 1irp s MET 143 Cb 0.00 -2.31 0.03 0.00 2.01 0.00 0.00 34.83 34.56 1irp s MET 143 CO 0.01 -1.39 1.26 0.08 -0.01 0.00 0.00 175.02 174.97 1irp s VAL 144 N -3.15 3.83 0.02 -6.03 1.01 -1.19 -4.93 120.40 109.97 1irp s VAL 144 Ca 0.65 0.61 -0.05 0.00 0.00 0.00 0.00 61.98 63.19 1irp s VAL 144 Cb -0.06 -4.81 -0.29 0.00 0.00 0.00 0.00 36.38 31.22 1irp s VAL 144 CO 0.44 -1.62 0.91 0.71 0.00 0.00 0.00 175.10 175.54 1irp h THR 145 N 6.11 1.22 -3.03 3.92 1.35 -1.92 -3.32 112.91 117.24 1irp h THR 145 Ca -0.27 -2.82 -0.57 0.00 -0.55 0.00 0.00 66.41 62.21 1irp h THR 145 Cb 1.06 2.82 -0.05 0.00 -1.73 0.00 0.00 68.15 70.25 1irp h THR 145 CO 1.24 0.83 1.14 -1.59 -0.25 0.00 0.00 175.52 176.89 1irp s LYS 146 N -2.62 3.45 0.05 4.72 0.00 -1.25 -3.98 119.74 120.10 1irp s LYS 146 Ca -0.08 1.00 0.09 0.00 0.00 0.00 0.00 55.97 56.98 1irp s LYS 146 Cb 0.07 -4.09 -0.03 0.00 0.00 0.00 0.00 37.83 33.77 1irp s LYS 146 CO 0.87 -1.72 -0.24 -0.06 0.00 0.00 0.00 175.35 174.19 1irp s PHE 147 N 6.02 2.38 -0.23 1.78 0.08 -0.83 -4.76 117.98 122.42 1irp s PHE 147 Ca 0.66 -0.37 -0.18 0.00 0.12 0.00 0.00 56.93 57.16 1irp s PHE 147 Cb -0.16 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 1irp s PHE 147 CO 0.32 0.17 0.49 -0.47 -0.10 0.00 0.00 175.22 175.63 1irp s TYR 148 N -0.85 3.32 -0.69 0.36 5.04 0.52 -0.60 117.35 124.45 1irp s TYR 148 Ca 0.13 0.67 -0.17 0.00 -2.44 0.00 0.00 57.07 55.25 1irp s TYR 148 Cb -0.10 -2.66 0.14 0.00 0.35 0.00 0.00 41.96 39.68 1irp s TYR 148 CO 0.03 -0.17 0.76 0.12 -1.34 0.00 0.00 175.55 174.95 1irp s PHE 149 N 1.90 3.22 0.03 4.97 5.36 -1.26 -2.11 117.98 130.09 1irp s PHE 149 Ca 0.22 -1.31 0.09 0.00 -0.96 0.00 0.00 56.93 54.97 1irp s PHE 149 Cb -0.15 -3.99 -0.03 0.00 -0.34 0.00 0.00 43.02 38.51 1irp s PHE 149 CO 0.09 -1.22 -0.25 -1.14 -1.46 0.00 0.00 175.22 171.24 1irp s GLN 150 N 1.97 1.90 -0.13 10.12 2.00 -0.76 -5.05 119.66 129.70 1irp s GLN 150 Ca 0.15 -1.06 -0.24 0.00 -2.00 0.00 0.00 55.36 52.21 1irp s GLN 150 Cb -0.19 -2.02 -0.03 0.00 0.80 0.00 0.00 33.01 31.58 1irp s GLN 150 CO -0.00 0.53 0.75 -1.83 -0.50 0.00 0.00 175.29 174.24 1irp s GLU 151 N -1.13 4.35 3.89 1.67 -1.05 -1.26 -0.77 118.70 124.41 1irp s GLU 151 Ca 0.12 0.91 0.00 0.00 -0.15 0.00 0.00 54.97 55.85 1irp s GLU 151 Cb -0.10 -3.52 0.00 0.00 -0.44 0.00 0.00 34.13 30.07 1irp s GLU 151 CO 0.02 -0.15 0.00 -0.25 0.95 0.00 0.00 175.26 175.82 1irp n ASP 152 N 4.59 0.00 -0.51 0.83 8.00 -0.54 -4.85 116.55 124.07 1irp n ASP 152 Ca 0.01 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.65 1irp n ASP 152 Cb 0.50 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 42.10 1irp n ASP 152 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19