#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rir s GLU 2 N 0.00 3.32 -0.03 0.00 2.12 -0.82 -4.93 118.70 118.36 1rir s GLU 2 Ca 0.00 -0.32 0.05 0.00 0.36 0.00 0.00 54.97 55.05 1rir s GLU 2 Cb 0.00 -3.94 -0.01 0.00 0.26 0.00 0.00 34.13 30.44 1rir s GLU 2 CO 0.00 -0.99 -0.17 0.99 -0.54 0.00 0.00 175.26 174.55 1rir s THR 3 N 2.83 1.37 -0.11 -1.70 2.01 -1.26 0.47 115.64 119.25 1rir s THR 3 Ca 0.23 -0.71 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 1rir s THR 3 Cb -0.14 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1rir s THR 3 CO 0.19 0.39 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.71 1rir s VAL 4 N -0.18 3.29 -0.27 3.82 1.01 0.04 -4.98 120.40 123.14 1rir s VAL 4 Ca 0.02 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1rir s VAL 4 Cb -0.09 -2.38 0.11 0.00 0.00 0.00 0.00 36.38 34.03 1rir s VAL 4 CO 0.01 0.54 0.58 -0.94 0.00 0.00 0.00 175.10 175.28 1rir s SER 5 N 0.04 -0.86 0.38 3.32 1.04 -1.26 -0.73 113.70 115.64 1rir s SER 5 Ca -0.03 1.39 0.04 0.00 0.48 0.00 0.00 55.95 57.82 1rir s SER 5 Cb -0.14 1.91 -0.04 0.00 0.10 0.00 0.00 66.02 67.84 1rir s SER 5 CO 0.04 -0.22 0.08 0.72 0.98 0.00 0.00 173.24 174.83 1rir s PHE 6 N 2.66 1.92 -0.29 5.02 -0.12 -0.80 -5.02 117.98 121.35 1rir s PHE 6 Ca -0.05 -1.06 -0.12 0.00 -0.05 0.00 0.00 56.93 55.65 1rir s PHE 6 Cb -0.11 -1.30 0.12 0.00 -0.63 0.00 0.00 43.02 41.10 1rir s PHE 6 CO -0.17 -0.06 0.68 1.21 -0.05 0.00 0.00 175.22 176.84 1rir s ASN 7 N -3.58 -1.05 -0.19 1.98 2.47 -1.26 -2.64 114.94 110.66 1rir s ASN 7 Ca 0.29 1.51 0.01 0.00 0.42 0.00 0.00 52.86 55.09 1rir s ASN 7 Cb 0.06 1.99 0.03 0.00 -1.45 0.00 0.00 41.25 41.88 1rir s ASN 7 CO 0.14 -0.22 -0.16 -0.36 -3.72 0.00 0.00 177.10 172.78 1rir s PHE 8 N 2.48 2.73 -0.90 0.43 0.08 0.21 -4.94 117.98 118.07 1rir s PHE 8 Ca -0.07 -1.72 0.16 0.00 0.12 0.00 0.00 56.93 55.43 1rir s PHE 8 Cb -0.10 -1.83 -0.15 0.00 -0.57 0.00 0.00 43.02 40.37 1rir s PHE 8 CO -0.19 -0.79 0.73 0.09 -0.10 0.00 0.00 175.22 174.95 1rir n ASN 9 N 4.61 0.92 -3.90 1.36 3.02 -1.26 -0.93 115.26 119.09 1rir n ASN 9 Ca -0.18 -0.96 -0.09 0.00 -0.03 0.00 0.00 54.58 53.32 1rir n ASN 9 Cb 0.48 0.91 -0.05 0.00 -0.61 0.00 0.00 39.78 40.52 1rir n ASN 9 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1rir s SER 10 N -2.46 -0.05 0.19 6.41 1.04 -1.26 -4.77 113.70 112.80 1rir s SER 10 Ca 0.07 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1rir s SER 10 Cb 0.13 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 1rir s SER 10 CO 0.63 -1.20 0.07 -0.36 0.98 0.00 0.00 173.24 173.36 1rir s PHE 11 N -3.88 1.18 -0.29 5.02 0.40 -0.45 -5.00 117.98 114.97 1rir s PHE 11 Ca 0.21 -1.19 -0.21 0.00 -0.60 0.00 0.00 56.93 55.14 1rir s PHE 11 Cb -0.01 -0.66 0.14 0.00 0.51 0.00 0.00 43.02 43.00 1rir s PHE 11 CO 0.10 -0.41 1.06 -1.54 0.70 0.00 0.00 175.22 175.12 1rir s SER 12 N -3.17 -0.42 0.95 1.36 1.04 -1.26 -4.06 113.70 108.15 1rir s SER 12 Ca 0.30 0.74 -0.11 0.00 0.48 0.00 0.00 55.95 57.37 1rir s SER 12 Cb 0.07 0.94 0.14 0.00 0.10 0.00 0.00 66.02 67.26 1rir s SER 12 CO 0.07 -0.12 0.95 -0.62 0.98 0.00 0.00 173.24 174.50 1rir n GLU 13 N 2.77 -0.63 0.00 4.02 1.02 -1.26 -3.18 120.64 123.38 1rir n GLU 13 Ca -0.15 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1rir n GLU 13 Cb 0.57 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 1rir n GLU 13 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rir n GLY 14 N 0.64 2.31 3.64 0.62 0.00 -1.26 -4.99 105.19 106.15 1rir n GLY 14 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1rir n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rir s ASN 15 N -3.22 6.77 0.00 1.61 3.04 -1.19 -4.87 114.94 117.08 1rir s ASN 15 Ca 0.00 1.35 0.05 0.00 0.04 0.00 0.00 52.86 54.31 1rir s ASN 15 Cb 0.00 -2.54 0.25 0.00 -1.54 0.00 0.00 41.25 37.42 1rir s ASN 15 CO 0.00 -0.97 1.01 -0.81 -3.04 0.00 0.00 177.10 173.29 1rir n PRO 16 N 7.07 0.07 0.04 0.43 -0.04 -1.26 -2.22 135.00 139.09 1rir n PRO 16 Ca 0.14 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 1rir n PRO 16 Cb 0.46 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.83 1rir n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rir n ALA 17 N -1.30 2.65 -3.34 0.55 0.00 -1.26 -4.70 120.51 113.12 1rir n ALA 17 Ca 0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 1rir n ALA 17 Cb 0.04 -1.35 -0.16 0.00 0.00 0.00 0.00 19.45 17.98 1rir n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1rir s ILE 18 N -3.06 0.71 -0.21 0.00 1.01 -0.94 -0.16 121.20 118.55 1rir s ILE 18 Ca 0.11 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 1rir s ILE 18 Cb 0.16 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1rir s ILE 18 CO 0.62 0.25 0.08 0.20 0.00 0.00 0.00 174.94 176.08 1rir s ASN 19 N 0.54 5.55 -0.40 3.58 0.02 0.41 -4.81 114.94 119.84 1rir s ASN 19 Ca -0.08 0.00 -0.13 0.00 -1.02 0.00 0.00 52.86 51.63 1rir s ASN 19 Cb -0.12 -1.97 0.03 0.00 0.02 0.00 0.00 41.25 39.21 1rir s ASN 19 CO 0.01 0.10 0.26 -0.36 0.02 0.00 0.00 177.10 177.13 1rir s PHE 20 N 0.80 3.25 -0.26 2.20 0.08 -1.26 -1.33 117.98 121.46 1rir s PHE 20 Ca 0.04 -0.83 -0.06 0.00 0.12 0.00 0.00 56.93 56.20 1rir s PHE 20 Cb -0.13 -2.57 -0.01 0.00 -0.57 0.00 0.00 43.02 39.74 1rir s PHE 20 CO 0.02 -0.64 0.04 -0.65 -0.10 0.00 0.00 175.22 173.89 1rir s GLN 21 N 1.61 3.35 0.00 0.44 -0.21 -0.94 -4.95 119.66 118.96 1rir s GLN 21 Ca 0.03 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.74 1rir s GLN 21 Cb -0.20 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.55 1rir s GLN 21 CO 0.08 -0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 1rir n GLY 22 N 4.87 -0.66 1.14 3.09 0.00 -1.26 0.21 105.19 112.57 1rir n GLY 22 Ca -0.16 -1.97 -0.00 0.00 0.00 0.00 0.00 46.02 43.88 1rir n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rir n ASP 23 N 0.00 3.61 -4.70 1.61 8.00 0.18 -4.87 116.55 120.39 1rir n ASP 23 Ca 0.00 -2.13 -0.42 0.00 0.71 0.00 0.00 54.79 52.95 1rir n ASP 23 Cb 0.00 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 1rir n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1rir s VAL 24 N -0.06 4.11 -0.08 2.53 1.01 -1.23 -4.12 120.40 122.54 1rir s VAL 24 Ca 0.01 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.47 1rir s VAL 24 Cb 0.01 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1rir s VAL 24 CO 0.00 0.04 -0.09 0.28 0.00 0.00 0.00 175.10 175.33 1rir s THR 25 N 1.84 1.01 -0.22 3.92 -1.32 0.10 -5.01 115.64 115.96 1rir s THR 25 Ca 0.58 -0.35 -0.22 0.00 -1.21 0.00 0.00 61.69 60.49 1rir s THR 25 Cb -0.27 -0.98 -0.02 0.00 -1.51 0.00 0.00 72.50 69.72 1rir s THR 25 CO 0.25 0.34 0.68 -0.69 -2.21 0.00 0.00 174.62 172.99 1rir s VAL 26 N 1.14 4.97 0.60 5.08 1.01 -1.26 -1.01 120.40 130.93 1rir s VAL 26 Ca -0.06 1.26 -0.15 0.00 0.00 0.00 0.00 61.98 63.04 1rir s VAL 26 Cb -0.14 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1rir s VAL 26 CO -0.02 0.05 1.05 -0.76 0.00 0.00 0.00 175.10 175.42 1rir s LEU 27 N 2.27 3.44 0.00 3.92 1.43 0.75 -4.89 118.68 125.61 1rir s LEU 27 Ca 0.30 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 1rir s LEU 27 Cb -0.16 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1rir s LEU 27 CO 0.09 -1.12 0.24 -1.54 0.23 0.00 0.00 176.35 174.25 1rir n SER 28 N -2.18 0.51 -1.08 2.29 3.41 -1.26 -1.89 113.62 113.42 1rir n SER 28 Ca 0.08 -0.90 0.04 0.00 -0.26 0.00 0.00 58.87 57.83 1rir n SER 28 Cb 0.53 -0.22 0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1rir n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rir n ASN 29 N 0.31 0.92 -1.40 4.04 6.94 -1.26 -4.99 115.26 119.82 1rir n ASN 29 Ca 0.00 -2.29 -0.15 0.00 -0.02 0.00 0.00 54.58 52.11 1rir n ASN 29 Cb 0.12 -0.31 -0.04 0.00 -2.36 0.00 0.00 39.78 37.18 1rir n ASN 29 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rir n GLY 30 N 0.08 0.88 3.52 4.83 0.00 -0.79 -4.89 105.19 108.83 1rir n GLY 30 Ca 0.07 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1rir n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rir s ASN 31 N -2.64 4.25 -0.18 1.61 0.02 -1.25 -1.35 114.94 115.41 1rir s ASN 31 Ca 0.00 -0.18 -0.15 0.00 -1.02 0.00 0.00 52.86 51.51 1rir s ASN 31 Cb 0.00 -0.93 -0.04 0.00 0.02 0.00 0.00 41.25 40.30 1rir s ASN 31 CO 0.00 0.32 0.37 -0.63 0.02 0.00 0.00 177.10 177.18 1rir s ILE 32 N -0.83 5.24 -0.30 0.60 1.01 -1.02 -0.18 121.20 125.72 1rir s ILE 32 Ca 0.13 0.67 -0.08 0.00 0.00 0.00 0.00 60.65 61.38 1rir s ILE 32 Cb -0.11 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1rir s ILE 32 CO 0.03 0.31 0.10 -1.58 0.00 0.00 0.00 174.94 173.80 1rir s GLN 33 N 0.94 3.21 0.11 2.79 0.74 -0.18 -1.34 119.66 125.93 1rir s GLN 33 Ca 0.19 -0.79 -0.10 0.00 0.05 0.00 0.00 55.36 54.70 1rir s GLN 33 Cb -0.14 -3.43 -0.13 0.00 1.10 0.00 0.00 33.01 30.40 1rir s GLN 33 CO 0.07 -0.42 1.30 -0.07 -0.55 0.00 0.00 175.29 175.62 1rir h LEU 34 N 8.27 0.84 -9.21 3.68 3.38 -1.34 0.30 115.31 121.23 1rir h LEU 34 Ca -0.32 -0.58 -0.63 0.00 0.09 0.00 0.00 57.88 56.44 1rir h LEU 34 Cb 1.14 -0.25 -0.16 0.00 0.09 0.00 0.00 40.66 41.48 1rir h LEU 34 CO 0.61 1.37 -0.76 0.42 0.09 0.00 0.00 178.44 180.17 1rir s THR 35 N -3.61 2.83 -0.21 0.22 -4.23 -1.26 -3.42 115.64 105.95 1rir s THR 35 Ca -0.09 -1.88 -0.19 0.00 -1.18 0.00 0.00 61.69 58.35 1rir s THR 35 Cb 0.09 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 1rir s THR 35 CO 0.90 -0.15 0.57 0.21 -0.54 0.00 0.00 174.62 175.61 1rir s ASN 36 N -2.87 6.60 0.48 3.99 3.84 -1.26 -4.85 114.94 120.87 1rir s ASN 36 Ca 0.24 0.72 0.28 0.00 0.21 0.00 0.00 52.86 54.31 1rir s ASN 36 Cb -0.08 -2.32 1.05 0.00 -0.55 0.00 0.00 41.25 39.36 1rir s ASN 36 CO 0.13 -0.25 1.87 -0.07 -2.79 0.00 0.00 177.10 176.00 1rir h LEU 37 N 8.24 0.00 -3.32 3.21 4.07 -1.96 -3.14 115.31 122.41 1rir h LEU 37 Ca -0.31 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1rir h LEU 37 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1rir h LEU 37 CO 0.75 0.13 0.00 0.59 -1.08 0.00 0.00 178.44 178.83 1rir n ASN 38 N -3.26 5.31 -4.37 -0.43 3.02 -1.26 -4.93 115.26 109.34 1rir n ASN 38 Ca 0.01 -2.84 -0.23 0.00 -0.03 0.00 0.00 54.58 51.48 1rir n ASN 38 Cb 0.39 -0.67 -0.11 0.00 -0.61 0.00 0.00 39.78 38.78 1rir n ASN 38 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1rir s LYS 39 N -2.60 1.38 -0.09 3.52 1.02 -1.19 -5.11 119.74 116.67 1rir s LYS 39 Ca 0.50 -1.48 -0.15 0.00 0.02 0.00 0.00 55.97 54.86 1rir s LYS 39 Cb 0.38 -1.51 -0.05 0.00 -0.52 0.00 0.00 37.83 36.13 1rir s LYS 39 CO 0.14 0.31 0.37 0.08 -0.92 0.00 0.00 175.35 175.34 1rir s VAL 40 N -2.00 5.19 -1.36 3.17 1.01 -1.26 -4.09 120.40 121.06 1rir s VAL 40 Ca 0.18 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1rir s VAL 40 Cb -0.06 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1rir s VAL 40 CO 0.08 0.45 0.00 -0.46 0.00 0.00 0.00 175.10 175.17 1rir n ASN 41 N 2.93 -4.75 -4.50 3.32 0.23 -1.24 -4.95 115.26 106.31 1rir n ASN 41 Ca -0.12 -0.01 -0.37 0.00 -0.53 0.00 0.00 54.58 53.54 1rir n ASN 41 Cb 0.52 -3.87 0.05 0.00 -2.08 0.00 0.00 39.78 34.40 1rir n ASN 41 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1rir n SER 42 N -1.04 -0.74 -3.67 0.53 2.88 -1.25 -4.24 113.62 106.08 1rir n SER 42 Ca -0.19 0.70 -0.09 0.00 -1.33 0.00 0.00 58.87 57.97 1rir n SER 42 Cb 0.64 -1.23 -0.09 0.00 -0.75 0.00 0.00 64.21 62.78 1rir n SER 42 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1rir s VAL 43 N -1.74 -0.03 -0.11 2.46 1.01 -1.26 -1.85 120.40 118.88 1rir s VAL 43 Ca 0.69 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.64 1rir s VAL 43 Cb -0.41 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.23 1rir s VAL 43 CO 0.54 0.02 0.29 -0.83 0.00 0.00 0.00 175.10 175.12 1rir s GLY 44 N 1.52 -0.21 0.08 4.51 0.00 -1.17 0.51 107.32 112.55 1rir s GLY 44 Ca -0.10 0.84 0.03 0.00 0.00 0.00 0.00 44.72 45.49 1rir s GLY 44 CO -0.16 0.76 -0.08 0.50 0.00 0.00 0.00 173.10 174.12 1rir s ARG 45 N 0.26 0.73 -0.07 2.90 0.52 0.13 -1.01 118.95 122.42 1rir s ARG 45 Ca -0.01 -1.06 0.01 0.00 -0.52 0.00 0.00 55.73 54.15 1rir s ARG 45 Cb -0.03 -0.36 0.02 0.00 0.52 0.00 0.00 34.95 35.10 1rir s ARG 45 CO -0.01 0.04 -0.09 0.54 0.02 0.00 0.00 175.30 175.81 1rir s VAL 46 N -2.37 0.91 0.06 3.52 0.11 0.42 -2.21 120.40 120.84 1rir s VAL 46 Ca 0.02 -0.32 0.07 0.00 -2.93 0.00 0.00 61.98 58.81 1rir s VAL 46 Cb -0.03 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1rir s VAL 46 CO -0.01 0.31 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.13 1rir s LEU 47 N 0.94 2.22 -0.31 2.54 1.43 -0.44 -1.24 118.68 123.82 1rir s LEU 47 Ca -0.10 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.16 1rir s LEU 47 Cb -0.15 -0.79 -0.00 0.00 0.03 0.00 0.00 46.19 45.28 1rir s LEU 47 CO 0.00 0.07 1.45 -0.47 0.23 0.00 0.00 176.35 177.63 1rir s TYR 48 N -0.96 2.40 0.21 0.29 5.04 -0.27 -0.44 117.35 123.61 1rir s TYR 48 Ca 0.04 0.72 -0.14 0.00 -2.44 0.00 0.00 57.07 55.24 1rir s TYR 48 Cb -0.09 -4.05 0.24 0.00 0.35 0.00 0.00 41.96 38.41 1rir s TYR 48 CO 0.02 -2.18 1.39 0.00 -1.34 0.00 0.00 175.55 173.44 1rir n ALA 49 N 8.34 -0.06 -1.75 3.97 0.00 0.77 -4.59 120.51 127.19 1rir n ALA 49 Ca 0.17 0.90 -0.40 0.00 0.00 0.00 0.00 53.44 54.11 1rir n ALA 49 Cb 0.47 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 1rir n ALA 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1rir s MET 50 N -5.88 4.83 0.27 0.00 0.00 -1.26 -4.99 119.30 112.26 1rir s MET 50 Ca -0.12 1.53 -0.29 0.00 0.00 0.00 0.00 55.69 56.81 1rir s MET 50 Cb 0.19 -3.27 -0.09 0.00 0.00 0.00 0.00 34.83 31.66 1rir s MET 50 CO 0.65 0.48 1.01 -2.14 0.00 0.00 0.00 175.02 175.01 1rir s PRO 51 N -1.21 4.72 -0.18 4.11 0.02 -1.26 -4.81 135.00 136.39 1rir s PRO 51 Ca 0.41 1.61 -0.04 0.00 0.02 0.00 0.00 61.00 63.00 1rir s PRO 51 Cb -0.27 -3.18 -0.02 0.00 0.02 0.00 0.00 34.50 31.05 1rir s PRO 51 CO 0.33 0.35 -0.02 0.08 -0.33 0.00 0.00 177.00 177.41 1rir s VAL 52 N -1.22 3.88 -0.81 3.83 1.01 -0.31 -4.91 120.40 121.87 1rir s VAL 52 Ca 0.44 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.81 1rir s VAL 52 Cb -0.28 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.41 1rir s VAL 52 CO 0.35 0.46 1.30 -0.60 0.00 0.00 0.00 175.10 176.61 1rir s ARG 53 N 0.73 3.30 0.33 2.72 3.52 -1.26 -2.10 118.95 126.19 1rir s ARG 53 Ca -0.01 -0.53 0.11 0.00 -0.13 0.00 0.00 55.73 55.17 1rir s ARG 53 Cb -0.14 -4.51 0.57 0.00 -1.56 0.00 0.00 34.95 29.31 1rir s ARG 53 CO 0.02 -2.14 1.74 -0.84 -0.81 0.00 0.00 175.30 173.27 1rir h ILE 54 N 6.22 1.33 -3.66 4.11 3.07 -1.50 -3.46 117.51 123.62 1rir h ILE 54 Ca -0.15 -1.57 -0.11 0.00 1.55 0.00 0.00 64.86 64.58 1rir h ILE 54 Cb 1.04 1.83 -0.17 0.00 -0.27 0.00 0.00 36.82 39.25 1rir h ILE 54 CO 1.31 0.45 -0.41 -1.66 -1.05 0.00 0.00 178.15 176.79 1rir s TRP 55 N -4.01 0.11 -0.19 0.16 1.48 -1.25 0.93 118.94 116.17 1rir s TRP 55 Ca -0.03 -0.39 -0.03 0.00 -1.06 0.00 0.00 56.10 54.60 1rir s TRP 55 Cb 0.14 -0.06 -0.01 0.00 -1.16 0.00 0.00 33.47 32.38 1rir s TRP 55 CO 0.74 -0.45 -0.08 0.45 -4.06 0.00 0.00 176.95 173.56 1rir s SER 56 N -2.29 4.14 0.31 -2.66 0.15 -0.87 -4.71 113.70 107.78 1rir s SER 56 Ca -0.02 -0.39 0.23 0.00 0.70 0.00 0.00 55.95 56.46 1rir s SER 56 Cb 0.01 -1.69 1.13 0.00 -1.71 0.00 0.00 66.02 63.76 1rir s SER 56 CO -0.06 0.03 1.70 -1.54 1.20 0.00 0.00 173.24 174.57 1rir n SER 57 N 4.44 0.62 -0.08 5.45 3.41 -1.26 0.70 113.62 126.90 1rir n SER 57 Ca -0.18 0.74 -0.11 0.00 -0.26 0.00 0.00 58.87 59.05 1rir n SER 57 Cb 0.51 -0.84 -0.06 0.00 -0.26 0.00 0.00 64.21 63.57 1rir n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rir h ALA 58 N 2.09 0.10 -0.04 7.33 0.00 -1.97 -3.40 119.26 123.38 1rir h ALA 58 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 54.91 53.93 1rir h ALA 58 Cb 0.13 0.54 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1rir h ALA 58 CO 0.00 0.52 -0.91 1.79 0.00 0.00 0.00 179.25 180.65 1rir h THR 59 N -1.00 1.34 0.00 0.00 1.35 -1.91 -3.47 112.91 109.23 1rir h THR 59 Ca -0.14 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 1rir h THR 59 Cb 0.81 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1rir h THR 59 CO -0.08 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1rir n GLY 60 N 0.88 1.22 3.84 5.82 0.00 0.22 -5.02 105.19 112.14 1rir n GLY 60 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1rir n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rir s ASN 61 N -2.94 5.78 -0.04 1.61 0.02 -1.25 -4.85 114.94 113.26 1rir s ASN 61 Ca 0.00 1.55 0.02 0.00 -1.02 0.00 0.00 52.86 53.41 1rir s ASN 61 Cb 0.00 -2.49 0.01 0.00 0.02 0.00 0.00 41.25 38.80 1rir s ASN 61 CO 0.00 -1.17 -0.09 -0.69 0.02 0.00 0.00 177.10 175.17 1rir s VAL 62 N -3.06 0.82 0.67 1.60 1.01 -1.26 -2.04 120.40 118.14 1rir s VAL 62 Ca 0.57 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 1rir s VAL 62 Cb -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1rir s VAL 62 CO 0.53 0.28 1.12 0.00 0.00 0.00 0.00 175.10 177.03 1rir s ALA 63 N 0.59 2.43 0.16 5.51 0.00 0.27 -4.55 121.76 126.16 1rir s ALA 63 Ca -0.10 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.49 1rir s ALA 63 Cb -0.13 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1rir s ALA 63 CO 0.02 -1.34 0.11 -1.12 0.00 0.00 0.00 175.76 173.43 1rir s SER 64 N -2.52 5.43 -0.03 0.00 0.01 -1.01 -4.43 113.70 111.14 1rir s SER 64 Ca 0.68 -0.15 -0.15 0.00 1.31 0.00 0.00 55.95 57.64 1rir s SER 64 Cb -0.21 -1.39 0.03 0.00 0.21 0.00 0.00 66.02 64.65 1rir s SER 64 CO 0.42 0.08 0.33 0.72 0.41 0.00 0.00 173.24 175.20 1rir s PHE 65 N -1.71 -0.23 -0.31 2.43 -0.12 -1.07 -1.22 117.98 115.76 1rir s PHE 65 Ca 0.30 0.40 0.02 0.00 -0.05 0.00 0.00 56.93 57.60 1rir s PHE 65 Cb -0.10 0.11 0.09 0.00 -0.63 0.00 0.00 43.02 42.49 1rir s PHE 65 CO 0.23 -0.36 0.04 -1.17 -0.05 0.00 0.00 175.22 173.91 1rir s LEU 66 N -1.07 3.40 -0.03 -1.99 2.96 0.93 -0.98 118.68 121.90 1rir s LEU 66 Ca -0.11 -1.76 0.06 0.00 -0.22 0.00 0.00 54.13 52.10 1rir s LEU 66 Cb -0.05 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.36 1rir s LEU 66 CO 0.04 -0.36 -0.20 0.28 -1.32 0.00 0.00 176.35 174.79 1rir s THR 67 N 1.26 1.65 0.02 3.68 -1.32 -0.52 -2.18 115.64 118.23 1rir s THR 67 Ca 0.07 -0.87 0.02 0.00 -1.21 0.00 0.00 61.69 59.70 1rir s THR 67 Cb -0.18 -1.39 -0.02 0.00 -1.51 0.00 0.00 72.50 69.40 1rir s THR 67 CO -0.13 0.47 -0.07 -0.94 -2.21 0.00 0.00 174.62 171.73 1rir s SER 68 N -0.26 0.80 0.18 8.08 1.04 -0.06 0.00 113.70 123.48 1rir s SER 68 Ca 0.02 -0.36 -0.15 0.00 0.48 0.00 0.00 55.95 55.94 1rir s SER 68 Cb -0.10 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.02 1rir s SER 68 CO 0.01 -0.09 0.44 0.72 0.98 0.00 0.00 173.24 175.30 1rir s PHE 69 N -0.85 0.02 0.00 5.02 -0.12 -0.00 -1.32 117.98 120.72 1rir s PHE 69 Ca -0.05 -0.37 0.03 0.00 -0.05 0.00 0.00 56.93 56.50 1rir s PHE 69 Cb -0.07 0.24 -0.01 0.00 -0.63 0.00 0.00 43.02 42.56 1rir s PHE 69 CO 0.00 -0.83 -0.10 -1.54 -0.05 0.00 0.00 175.22 172.70 1rir s SER 70 N -2.89 1.22 0.30 1.98 1.04 -0.94 0.33 113.70 114.74 1rir s SER 70 Ca 0.10 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.33 1rir s SER 70 Cb 0.01 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 1rir s SER 70 CO -0.03 0.09 0.29 0.72 0.98 0.00 0.00 173.24 175.29 1rir s PHE 71 N -0.38 1.47 -0.16 5.02 -0.12 -0.72 -0.51 117.98 122.59 1rir s PHE 71 Ca 0.03 -1.51 -0.14 0.00 -0.05 0.00 0.00 56.93 55.25 1rir s PHE 71 Cb -0.05 -0.55 0.04 0.00 -0.63 0.00 0.00 43.02 41.84 1rir s PHE 71 CO -0.00 -0.87 0.42 -2.00 -0.05 0.00 0.00 175.22 172.72 1rir s GLU 72 N -3.54 0.48 -0.29 1.99 2.12 0.31 -0.19 118.70 119.58 1rir s GLU 72 Ca 0.38 0.62 -0.01 0.00 0.36 0.00 0.00 54.97 56.33 1rir s GLU 72 Cb 0.03 0.20 0.09 0.00 0.26 0.00 0.00 34.13 34.71 1rir s GLU 72 CO 0.23 -0.07 0.07 -1.64 -0.54 0.00 0.00 175.26 173.30 1rir s MET 73 N 0.41 0.86 -0.04 4.30 -1.94 -1.26 -0.48 119.30 121.15 1rir s MET 73 Ca -0.02 -1.04 -0.09 0.00 -1.71 0.00 0.00 55.69 52.83 1rir s MET 73 Cb -0.04 -2.17 -0.05 0.00 2.01 0.00 0.00 34.83 34.59 1rir s MET 73 CO -0.02 -0.89 0.26 0.21 -0.01 0.00 0.00 175.02 174.57 1rir s LYS 74 N 1.57 3.63 0.78 2.03 2.20 -1.19 -3.02 119.74 125.74 1rir s LYS 74 Ca 0.07 0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.61 1rir s LYS 74 Cb -0.18 -3.16 0.06 0.00 -1.51 0.00 0.00 37.83 33.04 1rir s LYS 74 CO -0.19 0.71 1.12 -0.51 -0.36 0.00 0.00 175.35 176.12 1rir s ASP 75 N -1.25 4.71 -0.06 1.43 1.01 -1.26 -2.07 116.67 119.18 1rir s ASP 75 Ca 0.22 1.08 -0.01 0.00 0.71 0.00 0.00 52.55 54.54 1rir s ASP 75 Cb -0.14 -1.76 0.03 0.00 1.01 0.00 0.00 42.92 42.06 1rir s ASP 75 CO 0.10 -1.81 0.01 0.27 0.21 0.00 0.00 175.17 173.96 1rir s ILE 76 N -3.34 0.29 -0.03 0.77 -4.36 -1.26 -4.87 121.20 108.39 1rir s ILE 76 Ca 0.60 0.15 -0.13 0.00 -0.26 0.00 0.00 60.65 61.02 1rir s ILE 76 Cb -0.12 -0.45 -0.06 0.00 1.25 0.00 0.00 42.46 43.07 1rir s ILE 76 CO 0.52 0.24 0.37 1.17 0.24 0.00 0.00 174.94 177.48 1rir n LYS 77 N 5.02 0.00 -3.41 0.37 4.81 -1.26 -2.54 118.16 121.14 1rir n LYS 77 Ca -0.09 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.17 1rir n LYS 77 Cb 0.50 -0.48 0.08 0.00 0.02 0.00 0.00 35.03 35.16 1rir n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rir n ASP 78 N 0.62 -2.97 -3.65 3.14 8.00 -1.26 -5.03 116.55 115.40 1rir n ASP 78 Ca 0.07 -0.58 -0.15 0.00 0.71 0.00 0.00 54.79 54.84 1rir n ASP 78 Cb 0.02 -4.92 -0.08 0.00 -0.02 0.00 0.00 41.12 36.12 1rir n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1rir s TYR 79 N -3.34 -0.55 -0.11 1.24 2.02 -1.05 -5.07 117.35 110.48 1rir s TYR 79 Ca 0.13 1.19 -0.29 0.00 -0.37 0.00 0.00 57.07 57.73 1rir s TYR 79 Cb -0.06 0.25 -0.01 0.00 -0.40 0.00 0.00 41.96 41.74 1rir s TYR 79 CO 0.70 -0.40 0.99 -0.51 -1.57 0.00 0.00 175.55 174.76 1rir s ASP 80 N -0.39 7.22 -0.29 2.29 1.11 -0.89 -4.73 116.67 120.99 1rir s ASP 80 Ca -0.05 1.50 -0.28 0.00 0.18 0.00 0.00 52.55 53.89 1rir s ASP 80 Cb -0.03 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 1rir s ASP 80 CO 0.04 -0.43 1.92 -2.84 1.18 0.00 0.00 175.17 175.03 1rir s PRO 81 N 1.99 3.30 0.12 8.23 0.02 -1.26 -0.09 135.00 147.31 1rir s PRO 81 Ca 0.47 1.63 -0.26 0.00 0.02 0.00 0.00 61.00 62.87 1rir s PRO 81 Cb -0.18 -4.24 0.07 0.00 0.02 0.00 0.00 34.50 30.17 1rir s PRO 81 CO 0.18 -1.90 0.89 0.00 -0.33 0.00 0.00 177.00 175.84 1rir s ALA 82 N 7.22 -1.66 -0.16 -1.55 0.00 -1.26 -4.32 121.76 120.03 1rir s ALA 82 Ca 0.86 0.37 0.22 0.00 0.00 0.00 0.00 51.96 53.41 1rir s ALA 82 Cb -0.26 0.61 -0.16 0.00 0.00 0.00 0.00 23.12 23.32 1rir s ALA 82 CO 0.34 -0.92 0.78 -0.25 0.00 0.00 0.00 175.76 175.71 1rir n ASP 83 N -0.40 0.44 0.00 0.00 8.00 0.33 -3.30 116.55 121.63 1rir n ASP 83 Ca -0.07 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1rir n ASP 83 Cb 0.61 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.91 1rir n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rir n GLY 84 N 1.23 2.25 4.01 0.44 0.00 -1.26 -3.00 105.19 108.87 1rir n GLY 84 Ca -0.02 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.69 1rir n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rir s ILE 85 N -1.78 2.88 -0.24 -0.61 1.01 -1.18 -4.11 121.20 117.17 1rir s ILE 85 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.50 1rir s ILE 85 Cb 0.00 -2.89 0.07 0.00 0.01 0.00 0.00 42.46 39.65 1rir s ILE 85 CO 0.00 0.00 0.59 -0.51 0.00 0.00 0.00 174.94 175.02 1rir s ILE 86 N -2.39 -0.01 -0.26 2.92 2.07 -0.33 -1.79 121.20 121.40 1rir s ILE 86 Ca 0.56 0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.72 1rir s ILE 86 Cb -0.09 -0.86 -0.05 0.00 0.13 0.00 0.00 42.46 41.59 1rir s ILE 86 CO 0.34 0.01 0.18 0.12 -1.91 0.00 0.00 174.94 173.68 1rir s PHE 87 N 1.47 3.25 0.19 3.50 5.36 -0.59 -0.37 117.98 130.79 1rir s PHE 87 Ca -0.09 0.16 -0.01 0.00 -0.96 0.00 0.00 56.93 56.03 1rir s PHE 87 Cb -0.06 -2.34 -0.04 0.00 -0.34 0.00 0.00 43.02 40.24 1rir s PHE 87 CO -0.16 -0.08 0.10 -0.59 -1.46 0.00 0.00 175.22 173.03 1rir s PHE 88 N 1.50 1.14 -0.07 10.12 -0.71 0.17 -0.41 117.98 129.73 1rir s PHE 88 Ca 0.07 -1.30 0.03 0.00 -1.04 0.00 0.00 56.93 54.70 1rir s PHE 88 Cb -0.15 -0.59 0.01 0.00 -1.21 0.00 0.00 43.02 41.07 1rir s PHE 88 CO 0.09 -0.54 -0.15 0.42 -1.34 0.00 0.00 175.22 173.69 1rir s ILE 89 N -4.05 1.37 0.18 -4.49 1.01 0.12 -2.02 121.20 113.32 1rir s ILE 89 Ca 0.34 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1rir s ILE 89 Cb 0.07 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1rir s ILE 89 CO 0.09 0.40 0.16 0.00 0.00 0.00 0.00 174.94 175.59 1rir s ALA 90 N 0.46 0.78 0.37 9.38 0.00 -0.86 -1.13 121.76 130.76 1rir s ALA 90 Ca -0.13 -1.44 -0.28 0.00 0.00 0.00 0.00 51.96 50.11 1rir s ALA 90 Cb -0.15 1.12 -0.11 0.00 0.00 0.00 0.00 23.12 23.98 1rir s ALA 90 CO 0.04 -0.59 1.46 -2.14 0.00 0.00 0.00 175.76 174.53 1rir s PRO 91 N -4.09 4.14 0.56 0.00 0.02 -1.26 -0.15 135.00 134.22 1rir s PRO 91 Ca 0.30 2.52 0.39 0.00 0.02 0.00 0.00 61.00 64.23 1rir s PRO 91 Cb 0.06 -2.98 1.52 0.00 0.02 0.00 0.00 34.50 33.12 1rir s PRO 91 CO 0.07 -0.49 1.65 1.05 -0.33 0.00 0.00 177.00 178.96 1rir h GLU 92 N 3.05 0.00 -0.03 5.54 4.11 -1.75 0.25 114.58 125.74 1rir h GLU 92 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1rir h GLU 92 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1rir h GLU 92 CO 0.64 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 1rir n ASP 93 N -3.90 0.83 -4.54 3.06 5.68 -1.26 -4.92 116.55 111.50 1rir n ASP 93 Ca 0.30 -1.34 -0.63 0.00 -0.50 0.00 0.00 54.79 52.62 1rir n ASP 93 Cb 1.51 -0.01 -0.10 0.00 -1.14 0.00 0.00 41.12 41.38 1rir n ASP 93 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1rir n THR 94 N -0.33 0.03 -3.56 2.12 5.66 0.86 -4.97 114.28 114.10 1rir n THR 94 Ca 0.20 -0.02 -0.27 0.00 -3.05 0.00 0.00 64.05 60.92 1rir n THR 94 Cb 0.23 -0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 68.38 1rir n THR 94 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1rir s GLN 95 N 4.35 3.54 -0.20 1.09 -1.52 -1.26 -5.05 119.66 120.61 1rir s GLN 95 Ca 1.10 -0.27 -0.29 0.00 -1.95 0.00 0.00 55.36 53.95 1rir s GLN 95 Cb -1.44 -2.76 -0.00 0.00 -0.22 0.00 0.00 33.01 28.59 1rir s GLN 95 CO 0.73 0.31 1.12 -1.50 -0.25 0.00 0.00 175.29 175.70 1rir s ILE 96 N -2.01 4.54 0.97 1.08 2.07 -1.26 -4.99 121.20 121.60 1rir s ILE 96 Ca 0.40 1.85 -0.16 0.00 -1.41 0.00 0.00 60.65 61.34 1rir s ILE 96 Cb -0.11 -4.20 -0.09 0.00 0.13 0.00 0.00 42.46 38.20 1rir s ILE 96 CO 0.30 -0.15 -0.37 -2.65 -1.91 0.00 0.00 174.94 170.16 1rir n PRO 97 N 6.31 -0.09 -1.82 3.50 -0.02 -1.26 -4.85 135.00 136.77 1rir n PRO 97 Ca 0.12 -0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1rir n PRO 97 Cb 0.46 -1.30 -0.03 0.00 -0.02 0.00 0.00 33.50 32.61 1rir n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rir s ALA 98 N -2.13 3.86 0.52 3.55 0.00 -1.26 -4.95 121.76 121.34 1rir s ALA 98 Ca 0.46 1.48 -0.23 0.00 0.00 0.00 0.00 51.96 53.68 1rir s ALA 98 Cb -0.20 -3.67 -0.06 0.00 0.00 0.00 0.00 23.12 19.19 1rir s ALA 98 CO 0.77 -0.89 1.32 0.41 0.00 0.00 0.00 175.76 177.38 1rir n GLY 99 N 3.90 0.68 3.46 0.00 0.00 -1.26 -4.92 105.19 107.06 1rir n GLY 99 Ca 0.15 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1rir n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rir s SER 100 N -0.82 2.63 0.00 1.61 0.01 -1.26 -5.07 113.70 110.80 1rir s SER 100 Ca 0.69 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1rir s SER 100 Cb -0.44 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1rir s SER 100 CO 0.51 -1.03 0.00 2.30 0.41 0.00 0.00 173.24 175.44 1rir n ILE 101 N -0.88 0.00 -0.06 1.44 -5.35 -1.26 -4.05 119.36 109.19 1rir n ILE 101 Ca -0.02 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.47 1rir n ILE 101 Cb 0.64 -0.79 0.33 0.00 -1.74 0.00 0.00 39.64 38.08 1rir n ILE 101 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1rir h GLY 102 N 0.00 0.72 -1.66 3.28 0.00 -1.93 -2.74 103.07 100.75 1rir h GLY 102 Ca 0.00 -0.32 -0.37 0.00 0.00 0.00 0.00 47.33 46.64 1rir h GLY 102 CO 0.00 0.30 -1.86 0.61 0.00 0.00 0.00 176.54 175.59 1rir n GLY 103 N -1.26 -2.52 2.47 4.60 0.00 -1.26 -4.67 105.19 102.55 1rir n GLY 103 Ca 0.04 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 1rir n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rir n GLY 104 N 2.58 1.69 0.28 -0.02 0.00 -1.26 -4.47 105.19 103.98 1rir n GLY 104 Ca -0.01 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.39 1rir n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rir n THR 105 N 1.05 0.04 -1.42 2.61 -2.24 -1.26 -4.90 114.28 108.16 1rir n THR 105 Ca 0.15 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1rir n THR 105 Cb 0.62 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 1rir n THR 105 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rir n LEU 106 N -0.28 -1.05 -0.95 3.22 4.77 -1.26 -1.82 117.00 119.62 1rir n LEU 106 Ca 0.19 0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 56.42 1rir n LEU 106 Cb 0.24 -2.13 -0.03 0.00 -2.33 0.00 0.00 43.42 39.17 1rir n LEU 106 CO 0.15 -0.75 -0.11 0.61 -1.33 0.00 0.00 177.39 175.96 1rir n GLY 107 N -0.27 0.64 0.00 -0.72 0.00 -1.23 -3.39 105.19 100.22 1rir n GLY 107 Ca -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1rir n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rir n VAL 108 N -3.27 0.10 -4.14 1.61 0.24 -0.76 -4.27 118.33 107.85 1rir n VAL 108 Ca -0.11 -0.15 -0.13 0.00 -2.04 0.00 0.00 64.34 61.90 1rir n VAL 108 Cb 0.45 1.33 -0.07 0.00 -1.47 0.00 0.00 33.84 34.07 1rir n VAL 108 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1rir s SER 109 N -0.10 0.56 0.90 -1.34 1.04 -1.23 -4.57 113.70 108.95 1rir s SER 109 Ca 0.00 -1.38 -0.09 0.00 0.48 0.00 0.00 55.95 54.96 1rir s SER 109 Cb 0.00 0.53 0.16 0.00 0.10 0.00 0.00 66.02 66.81 1rir s SER 109 CO 0.00 -1.06 0.99 -0.90 0.98 0.00 0.00 173.24 173.25 1rir n ASP 110 N -0.81 0.37 -0.07 7.02 5.68 -0.33 -4.61 116.55 123.81 1rir n ASP 110 Ca 0.02 -1.54 0.12 0.00 -0.50 0.00 0.00 54.79 52.89 1rir n ASP 110 Cb 0.63 -0.73 0.51 0.00 -1.14 0.00 0.00 41.12 40.39 1rir n ASP 110 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1rir h THR 111 N -1.31 0.90 0.00 2.12 2.02 -1.91 -0.80 112.91 113.93 1rir h THR 111 Ca -0.32 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.64 1rir h THR 111 Cb 0.96 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1rir h THR 111 CO 0.25 0.07 -0.38 0.11 0.37 0.00 0.00 175.52 175.95 1rir h LYS 112 N 0.40 0.00 0.00 6.66 1.79 -2.00 -3.47 116.57 119.95 1rir h LYS 112 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1rir h LYS 112 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1rir h LYS 112 CO -0.07 0.38 0.00 0.41 -1.08 0.00 0.00 179.45 179.09 1rir n GLY 113 N 0.33 1.06 3.94 3.86 0.00 -0.31 -4.99 105.19 109.09 1rir n GLY 113 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1rir n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rir s ALA 114 N -2.00 3.66 0.00 4.61 0.00 -1.26 -1.51 121.76 125.25 1rir s ALA 114 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1rir s ALA 114 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1rir s ALA 114 CO 0.00 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1rir n GLY 115 N -2.05 1.90 3.26 0.00 0.00 -1.09 -1.18 105.19 106.03 1rir n GLY 115 Ca -0.00 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 1rir n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1rir s HIS 116 N -2.00 3.40 -0.01 1.61 2.46 -1.26 -4.12 115.29 115.36 1rir s HIS 116 Ca 0.00 -1.70 -0.30 0.00 0.47 0.00 0.00 55.06 53.53 1rir s HIS 116 Cb 0.00 -3.64 0.12 0.00 -0.13 0.00 0.00 32.58 28.92 1rir s HIS 116 CO 0.00 -1.00 1.28 -0.59 -2.47 0.00 0.00 174.74 171.96 1rir s PHE 117 N 1.24 -0.03 -0.03 3.88 -0.71 -1.26 -4.37 117.98 116.69 1rir s PHE 117 Ca 0.07 -0.08 -0.01 0.00 -1.04 0.00 0.00 56.93 55.87 1rir s PHE 117 Cb -0.26 0.55 0.03 0.00 -1.21 0.00 0.00 43.02 42.14 1rir s PHE 117 CO -0.00 -0.29 0.03 0.08 -1.34 0.00 0.00 175.22 173.70 1rir s VAL 118 N -2.38 -0.02 0.30 -2.49 1.01 -0.29 0.25 120.40 116.79 1rir s VAL 118 Ca 0.16 0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 1rir s VAL 118 Cb 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.29 1rir s VAL 118 CO -0.03 0.13 0.67 -0.83 0.00 0.00 0.00 175.10 175.04 1rir s GLY 119 N 1.45 0.22 -0.18 4.51 0.00 -0.39 0.12 107.32 113.05 1rir s GLY 119 Ca -0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 1rir s GLY 119 CO -0.03 -0.30 -0.05 0.14 0.00 0.00 0.00 173.10 172.87 1rir s VAL 120 N -3.58 3.61 0.11 1.40 1.01 0.45 -0.12 120.40 123.28 1rir s VAL 120 Ca 0.15 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1rir s VAL 120 Cb -0.04 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1rir s VAL 120 CO 0.09 0.47 -0.04 -1.83 0.00 0.00 0.00 175.10 173.79 1rir s GLU 121 N 0.78 2.37 -0.60 2.72 -1.05 -0.52 -1.55 118.70 120.86 1rir s GLU 121 Ca -0.02 -0.95 0.06 0.00 -0.15 0.00 0.00 54.97 53.92 1rir s GLU 121 Cb -0.15 -2.43 0.25 0.00 -0.44 0.00 0.00 34.13 31.37 1rir s GLU 121 CO 0.02 0.52 0.72 1.19 0.95 0.00 0.00 175.26 178.65 1rir n PHE 122 N 0.51 3.05 -2.60 4.83 3.72 -0.74 -0.84 117.46 125.38 1rir n PHE 122 Ca -0.12 -4.06 -0.42 0.00 -0.05 0.00 0.00 57.45 52.80 1rir n PHE 122 Cb 0.53 -0.53 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1rir n PHE 122 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1rir s ASP 123 N -2.30 7.25 -0.08 4.37 -1.08 -0.67 -3.13 116.67 121.02 1rir s ASP 123 Ca 0.39 1.79 0.12 0.00 -0.52 0.00 0.00 52.55 54.33 1rir s ASP 123 Cb 0.16 -2.57 0.25 0.00 -1.46 0.00 0.00 42.92 39.30 1rir s ASP 123 CO -0.03 -0.35 1.17 0.35 0.52 0.00 0.00 175.17 176.83 1rir n THR 124 N 3.94 1.58 -3.67 1.71 -2.24 -1.16 -1.47 114.28 112.97 1rir n THR 124 Ca 0.07 -1.65 -0.08 0.00 -2.27 0.00 0.00 64.05 60.13 1rir n THR 124 Cb 0.49 0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.71 1rir n THR 124 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1rir s TYR 125 N -2.06 -0.83 0.21 4.78 6.14 -1.26 -4.76 117.35 119.57 1rir s TYR 125 Ca 0.23 1.61 -0.29 0.00 0.64 0.00 0.00 57.07 59.26 1rir s TYR 125 Cb 0.19 0.39 -0.08 0.00 0.42 0.00 0.00 41.96 42.87 1rir s TYR 125 CO 0.05 -0.47 0.93 0.45 0.64 0.00 0.00 175.55 177.15 1rir s SER 126 N 2.19 7.59 -0.27 4.32 0.15 -1.26 -5.00 113.70 121.43 1rir s SER 126 Ca -0.05 1.89 -0.01 0.00 0.70 0.00 0.00 55.95 58.47 1rir s SER 126 Cb -0.10 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.70 1rir s SER 126 CO -0.14 0.12 0.05 0.20 1.20 0.00 0.00 173.24 174.68 1rir s ASN 127 N -0.95 3.70 0.50 5.45 -0.87 -1.26 -4.99 114.94 116.51 1rir s ASN 127 Ca 0.42 -1.35 0.35 0.00 -1.57 0.00 0.00 52.86 50.71 1rir s ASN 127 Cb -0.25 -0.86 1.48 0.00 -0.02 0.00 0.00 41.25 41.60 1rir s ASN 127 CO 0.31 -0.35 1.72 0.77 -2.57 0.00 0.00 177.10 176.97 1rir h SER 128 N 8.10 0.13 -0.02 -1.22 4.64 -1.95 0.21 113.55 123.44 1rir h SER 128 Ca -0.15 0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1rir h SER 128 Cb 1.05 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1rir h SER 128 CO 0.42 -0.02 0.03 1.05 -0.87 0.00 0.00 176.83 177.44 1rir h GLU 129 N 0.09 0.00 0.00 4.77 9.09 -1.97 -3.00 114.58 123.56 1rir h GLU 129 Ca 0.69 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 60.10 1rir h GLU 129 Cb 2.48 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.57 1rir h GLU 129 CO -0.14 0.00 -0.16 0.66 0.05 0.00 0.00 179.01 179.42 1rir n TYR 130 N -3.84 0.00 -1.11 2.06 4.01 0.74 -4.99 117.16 114.03 1rir n TYR 130 Ca -0.02 -0.76 -0.04 0.00 -0.16 0.00 0.00 57.90 56.91 1rir n TYR 130 Cb 0.11 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 1rir n TYR 130 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1rir n ASN 131 N -1.04 -4.52 -4.68 7.72 4.13 -1.13 -4.27 115.26 111.46 1rir n ASN 131 Ca 0.12 0.10 -0.59 0.00 1.68 0.00 0.00 54.58 55.89 1rir n ASN 131 Cb 0.66 -2.37 -0.08 0.00 -1.54 0.00 0.00 39.78 36.46 1rir n ASN 131 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1rir n ASP 132 N -0.29 1.82 -4.49 6.41 9.92 -1.17 -4.88 116.55 123.86 1rir n ASP 132 Ca -0.04 1.11 -0.34 0.00 -0.53 0.00 0.00 54.79 55.00 1rir n ASP 132 Cb 0.30 -1.07 0.11 0.00 -0.64 0.00 0.00 41.12 39.82 1rir n ASP 132 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1rir n PRO 133 N 4.30 -0.05 -0.32 -0.24 -0.02 -1.26 -4.56 135.00 132.85 1rir n PRO 133 Ca 0.26 0.04 0.29 0.00 -2.02 0.00 0.00 63.50 62.07 1rir n PRO 133 Cb 0.09 -1.98 0.55 0.00 -0.02 0.00 0.00 33.50 32.14 1rir n PRO 133 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1rir h PRO 134 N -1.13 0.08 0.00 0.52 0.13 -2.01 -3.43 132.00 126.16 1rir h PRO 134 Ca -0.44 -0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.30 1rir h PRO 134 Cb 1.30 -0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.33 1rir h PRO 134 CO 0.39 0.05 -0.31 0.25 -0.23 0.00 0.00 178.00 178.15 1rir n THR 135 N -5.21 0.00 -1.51 1.56 -2.24 -1.26 -4.71 114.28 100.91 1rir n THR 135 Ca 0.36 -1.58 -0.46 0.00 -2.27 0.00 0.00 64.05 60.10 1rir n THR 135 Cb 1.20 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.94 1rir n THR 135 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rir n ASP 136 N -1.64 0.19 -3.85 3.42 9.92 -1.26 -4.88 116.55 118.45 1rir n ASP 136 Ca -0.05 1.16 -0.09 0.00 -0.53 0.00 0.00 54.79 55.27 1rir n ASP 136 Cb 0.41 -1.14 -0.04 0.00 -0.64 0.00 0.00 41.12 39.71 1rir n ASP 136 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 1rir s HIS 137 N -0.98 0.05 -0.10 1.24 -3.43 -0.54 -1.83 115.29 109.69 1rir s HIS 137 Ca 0.62 -0.41 0.03 0.00 -0.80 0.00 0.00 55.06 54.50 1rir s HIS 137 Cb -0.81 0.34 -0.00 0.00 -1.43 0.00 0.00 32.58 30.68 1rir s HIS 137 CO 0.58 -0.97 -0.22 0.08 -2.00 0.00 0.00 174.74 172.21 1rir s VAL 138 N -3.93 2.28 0.39 -5.38 1.01 -0.91 -1.67 120.40 112.20 1rir s VAL 138 Ca 0.14 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.21 1rir s VAL 138 Cb -0.01 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1rir s VAL 138 CO 0.02 0.56 0.13 -0.83 0.00 0.00 0.00 175.10 174.98 1rir s GLY 139 N 0.25 2.52 -0.32 4.51 0.00 -0.02 -1.89 107.32 112.37 1rir s GLY 139 Ca -0.15 -1.36 0.02 0.00 0.00 0.00 0.00 44.72 43.23 1rir s GLY 139 CO 0.07 -1.80 0.07 -0.42 0.00 0.00 0.00 173.10 171.02 1rir s ILE 140 N -3.25 1.57 0.06 0.90 -1.09 -0.77 -1.44 121.20 117.17 1rir s ILE 140 Ca 0.26 -1.83 -0.15 0.00 -2.23 0.00 0.00 60.65 56.70 1rir s ILE 140 Cb 0.03 -2.15 -0.06 0.00 -1.58 0.00 0.00 42.46 38.70 1rir s ILE 140 CO 0.15 -0.61 0.48 -1.81 -1.23 0.00 0.00 174.94 171.92 1rir s ASP 141 N 1.27 6.86 -0.33 3.58 1.11 0.83 -0.96 116.67 129.04 1rir s ASP 141 Ca 0.09 1.04 -0.01 0.00 0.18 0.00 0.00 52.55 53.85 1rir s ASP 141 Cb -0.18 -2.28 0.12 0.00 1.07 0.00 0.00 42.92 41.65 1rir s ASP 141 CO -0.16 0.25 0.16 -0.69 1.18 0.00 0.00 175.17 175.91 1rir s VAL 142 N -1.20 0.30 -1.80 -1.27 1.01 -1.26 -1.26 120.40 114.92 1rir s VAL 142 Ca 0.29 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1rir s VAL 142 Cb -0.17 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1rir s VAL 142 CO 0.16 -0.83 0.00 0.59 0.00 0.00 0.00 175.10 175.03 1rir n ASN 143 N 4.60 -5.37 -3.64 3.32 3.02 0.14 -4.94 115.26 112.40 1rir n ASN 143 Ca 0.02 0.42 -0.08 0.00 -0.03 0.00 0.00 54.58 54.91 1rir n ASN 143 Cb 0.40 -4.36 -0.07 0.00 -0.61 0.00 0.00 39.78 35.14 1rir n ASN 143 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rir s SER 144 N -2.71 -0.68 0.00 6.41 0.15 -1.26 -2.68 113.70 112.94 1rir s SER 144 Ca 0.00 1.18 0.17 0.00 0.70 0.00 0.00 55.95 57.99 1rir s SER 144 Cb 0.00 1.24 0.91 0.00 -1.71 0.00 0.00 66.02 66.46 1rir s SER 144 CO 0.00 -0.19 1.47 1.33 1.20 0.00 0.00 173.24 177.05 1rir n VAL 145 N 3.32 0.34 -2.99 4.45 0.24 -0.57 -4.03 118.33 119.09 1rir n VAL 145 Ca -0.17 0.09 -0.44 0.00 -2.04 0.00 0.00 64.34 61.78 1rir n VAL 145 Cb 0.57 -0.81 -0.00 0.00 -1.47 0.00 0.00 33.84 32.13 1rir n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rir s ASP 146 N -2.38 7.10 0.12 -1.34 -1.08 -1.26 -4.94 116.67 112.89 1rir s ASP 146 Ca 0.19 -3.05 -0.23 0.00 -0.52 0.00 0.00 52.55 48.94 1rir s ASP 146 Cb 0.11 -2.38 -0.13 0.00 -1.46 0.00 0.00 42.92 39.06 1rir s ASP 146 CO 0.24 -0.70 0.48 -1.20 0.52 0.00 0.00 175.17 174.51 1rir n SER 147 N 5.31 -0.77 -0.08 -0.34 7.64 -1.26 -4.89 113.62 119.24 1rir n SER 147 Ca 0.35 0.87 -0.12 0.00 1.01 0.00 0.00 58.87 60.97 1rir n SER 147 Cb 0.42 -0.72 -0.05 0.00 -1.01 0.00 0.00 64.21 62.85 1rir n SER 147 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1rir h VAL 148 N 1.07 1.30 -3.98 0.44 2.07 -1.36 -3.45 116.25 112.34 1rir h VAL 148 Ca -0.25 -1.19 -0.22 0.00 0.82 0.00 0.00 66.70 65.86 1rir h VAL 148 Cb 1.10 1.61 -0.20 0.00 -1.52 0.00 0.00 31.29 32.27 1rir h VAL 148 CO 0.45 0.37 -0.71 -0.75 0.02 0.00 0.00 177.57 176.94 1rir s LYS 149 N -4.57 0.48 0.05 1.57 2.20 -1.24 -5.01 119.74 113.22 1rir s LYS 149 Ca -0.14 -0.79 -0.07 0.00 -0.36 0.00 0.00 55.97 54.61 1rir s LYS 149 Cb 0.07 -0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.29 1rir s LYS 149 CO 0.77 -0.01 0.13 0.95 -0.36 0.00 0.00 175.35 176.83 1rir s THR 150 N -1.82 0.14 -0.00 3.43 -4.23 -1.26 -1.85 115.64 110.04 1rir s THR 150 Ca -0.09 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1rir s THR 150 Cb -0.07 -1.07 -0.00 0.00 1.34 0.00 0.00 72.50 72.70 1rir s THR 150 CO -0.01 -0.63 -0.01 0.54 -0.54 0.00 0.00 174.62 173.97 1rir s VAL 151 N -3.04 0.05 0.17 2.29 0.11 -0.79 -4.99 120.40 114.20 1rir s VAL 151 Ca -0.01 -0.03 -0.32 0.00 -2.93 0.00 0.00 61.98 58.69 1rir s VAL 151 Cb 0.01 -0.05 -0.11 0.00 -1.53 0.00 0.00 36.38 34.69 1rir s VAL 151 CO -0.07 0.02 1.78 -2.65 -3.33 0.00 0.00 175.10 170.85 1rir n PRO 152 N 3.08 2.82 -4.24 1.54 -0.02 -1.26 -2.13 135.00 134.77 1rir n PRO 152 Ca -0.12 1.02 -0.14 0.00 -2.02 0.00 0.00 63.50 62.24 1rir n PRO 152 Cb 0.60 -2.89 -0.10 0.00 -0.02 0.00 0.00 33.50 31.08 1rir n PRO 152 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1rir s TRP 153 N 1.88 1.26 -0.13 6.00 -0.00 -0.76 -4.86 118.94 122.32 1rir s TRP 153 Ca 0.78 -1.19 -0.03 0.00 -0.00 0.00 0.00 56.10 55.67 1rir s TRP 153 Cb -0.49 -0.70 0.04 0.00 -0.00 0.00 0.00 33.47 32.33 1rir s TRP 153 CO 0.34 -0.39 0.04 1.21 -0.00 0.00 0.00 176.95 178.14 1rir s ASN 154 N -3.20 2.12 -0.07 5.86 2.47 -1.26 -4.11 114.94 116.74 1rir s ASN 154 Ca 0.32 -0.41 -0.27 0.00 0.42 0.00 0.00 52.86 52.92 1rir s ASN 154 Cb 0.07 -0.42 -0.03 0.00 -1.45 0.00 0.00 41.25 39.42 1rir s ASN 154 CO 0.09 -0.27 0.85 -0.55 -3.72 0.00 0.00 177.10 173.50 1rir s SER 155 N 1.99 7.13 -0.22 -4.21 0.15 -1.26 -5.04 113.70 112.24 1rir s SER 155 Ca 0.02 1.37 -0.02 0.00 0.70 0.00 0.00 55.95 58.03 1rir s SER 155 Cb -0.15 -2.49 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1rir s SER 155 CO -0.07 -0.27 -0.09 -0.69 1.20 0.00 0.00 173.24 173.33 1rir s VAL 156 N 1.32 2.90 0.19 4.45 1.01 -1.26 -5.09 120.40 123.93 1rir s VAL 156 Ca 0.43 -0.75 -0.33 0.00 0.00 0.00 0.00 61.98 61.34 1rir s VAL 156 Cb -0.19 -2.34 -0.14 0.00 0.00 0.00 0.00 36.38 33.71 1rir s VAL 156 CO 0.20 0.39 1.45 -0.24 0.00 0.00 0.00 175.10 176.90 1rir n SER 157 N 4.72 2.70 -0.23 3.32 2.88 -1.26 -1.88 113.62 123.87 1rir n SER 157 Ca -0.18 1.12 -0.03 0.00 -1.33 0.00 0.00 58.87 58.44 1rir n SER 157 Cb 0.50 -1.40 -0.01 0.00 -0.75 0.00 0.00 64.21 62.55 1rir n SER 157 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rir n GLY 158 N 2.64 0.58 3.69 0.46 0.00 -1.17 -4.94 105.19 106.46 1rir n GLY 158 Ca 0.14 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1rir n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rir s ALA 159 N -1.92 3.41 -0.08 4.61 0.00 -0.79 -4.99 121.76 121.99 1rir s ALA 159 Ca 0.00 -0.76 -0.25 0.00 0.00 0.00 0.00 51.96 50.95 1rir s ALA 159 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 1rir s ALA 159 CO 0.00 0.44 0.79 0.08 0.00 0.00 0.00 175.76 177.07 1rir s VAL 160 N -0.42 4.97 -0.03 0.00 1.01 -1.26 -4.30 120.40 120.37 1rir s VAL 160 Ca 0.09 1.61 0.02 0.00 0.00 0.00 0.00 61.98 63.70 1rir s VAL 160 Cb -0.12 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1rir s VAL 160 CO 0.02 0.17 -0.05 -0.69 0.00 0.00 0.00 175.10 174.55 1rir s VAL 161 N 1.21 3.81 -0.11 2.92 1.01 0.74 -4.42 120.40 125.56 1rir s VAL 161 Ca 0.40 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 1rir s VAL 161 Cb -0.18 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1rir s VAL 161 CO 0.18 0.48 -0.09 -0.54 0.00 0.00 0.00 175.10 175.13 1rir s LYS 162 N -1.19 3.17 -0.08 2.72 1.02 -1.07 -1.75 119.74 122.56 1rir s LYS 162 Ca 0.16 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.55 1rir s LYS 162 Cb -0.11 -2.66 0.02 0.00 -0.52 0.00 0.00 37.83 34.56 1rir s LYS 162 CO 0.05 0.40 -0.09 0.08 -0.92 0.00 0.00 175.35 174.88 1rir s VAL 163 N -0.11 0.98 -0.17 3.17 1.01 0.15 -0.71 120.40 124.72 1rir s VAL 163 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1rir s VAL 163 Cb -0.13 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1rir s VAL 163 CO 0.03 0.34 -0.12 -0.89 0.00 0.00 0.00 175.10 174.46 1rir s THR 164 N 1.20 2.94 -0.06 3.92 2.01 -0.87 -0.82 115.64 123.96 1rir s THR 164 Ca -0.05 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.33 1rir s THR 164 Cb -0.14 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1rir s THR 164 CO -0.02 0.49 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.50 1rir s VAL 165 N 0.90 2.45 -0.04 3.82 1.01 0.10 -1.49 120.40 127.15 1rir s VAL 165 Ca -0.03 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1rir s VAL 165 Cb -0.15 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1rir s VAL 165 CO -0.00 0.57 -0.11 -0.63 0.00 0.00 0.00 175.10 174.93 1rir s ILE 166 N -0.29 0.95 -0.12 2.22 1.01 -0.43 -1.44 121.20 123.10 1rir s ILE 166 Ca 0.01 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1rir s ILE 166 Cb -0.13 -0.85 0.02 0.00 0.01 0.00 0.00 42.46 41.51 1rir s ILE 166 CO 0.03 0.30 -0.16 -0.47 0.00 0.00 0.00 174.94 174.63 1rir s TYR 167 N 0.34 2.13 -0.23 3.97 5.04 -0.15 -0.43 117.35 128.00 1rir s TYR 167 Ca -0.07 -1.05 -0.18 0.00 -2.44 0.00 0.00 57.07 53.33 1rir s TYR 167 Cb -0.11 -1.52 -0.03 0.00 0.35 0.00 0.00 41.96 40.65 1rir s TYR 167 CO 0.01 -0.54 0.52 0.34 -1.34 0.00 0.00 175.55 174.55 1rir s ASP 168 N 1.05 6.50 0.20 4.32 2.15 -0.88 -2.59 116.67 127.42 1rir s ASP 168 Ca -0.04 0.60 -0.10 0.00 0.43 0.00 0.00 52.55 53.43 1rir s ASP 168 Cb -0.15 -2.29 0.25 0.00 -0.30 0.00 0.00 42.92 40.44 1rir s ASP 168 CO -0.03 -0.25 1.74 0.77 -0.17 0.00 0.00 175.17 177.23 1rir h SER 169 N 7.77 0.17 0.01 -0.34 4.64 -1.80 -0.75 113.55 123.25 1rir h SER 169 Ca -0.31 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1rir h SER 169 Cb 1.14 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1rir h SER 169 CO 0.73 0.11 -0.00 0.77 -0.87 0.00 0.00 176.83 177.56 1rir h SER 170 N 0.36 -0.01 0.00 4.97 4.64 -1.94 -3.34 113.55 118.23 1rir h SER 170 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1rir h SER 170 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1rir h SER 170 CO -0.31 0.03 0.08 0.35 -0.87 0.00 0.00 176.83 176.11 1rir n THR 171 N -2.25 1.51 -4.11 2.95 -2.24 -1.25 -4.80 114.28 104.09 1rir n THR 171 Ca -0.00 0.45 -0.34 0.00 -2.27 0.00 0.00 64.05 61.89 1rir n THR 171 Cb 0.00 -1.45 -0.01 0.00 -2.10 0.00 0.00 70.33 66.77 1rir n THR 171 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rir n LYS 172 N -1.37 -4.02 -3.65 -0.78 5.02 -0.29 -4.88 118.16 108.19 1rir n LYS 172 Ca 0.00 0.45 -0.38 0.00 -2.02 0.00 0.00 58.31 56.36 1rir n LYS 172 Cb 0.08 -5.23 -0.12 0.00 -0.02 0.00 0.00 35.03 29.74 1rir n LYS 172 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1rir s THR 173 N -3.31 4.75 -0.35 -0.18 2.01 -1.22 -1.46 115.64 115.89 1rir s THR 173 Ca 0.69 -0.21 -0.17 0.00 0.31 0.00 0.00 61.69 62.32 1rir s THR 173 Cb -0.37 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1rir s THR 173 CO 0.89 0.17 0.44 -0.22 -0.69 0.00 0.00 174.62 175.21 1rir s LEU 174 N 1.66 4.42 -0.21 4.42 2.96 0.93 -2.08 118.68 130.79 1rir s LEU 174 Ca 0.06 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1rir s LEU 174 Cb -0.16 -2.46 0.03 0.00 0.50 0.00 0.00 46.19 44.10 1rir s LEU 174 CO 0.07 -0.42 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.08 1rir s SER 175 N 1.75 3.58 0.15 3.68 0.01 0.42 -1.18 113.70 122.12 1rir s SER 175 Ca 0.15 -0.84 0.03 0.00 1.31 0.00 0.00 55.95 56.60 1rir s SER 175 Cb -0.16 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1rir s SER 175 CO 0.13 -0.06 0.26 -0.69 0.41 0.00 0.00 173.24 173.29 1rir s VAL 176 N 1.25 5.20 -0.24 3.43 1.01 -0.41 -1.31 120.40 129.34 1rir s VAL 176 Ca 0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1rir s VAL 176 Cb -0.15 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.67 1rir s VAL 176 CO -0.10 -0.10 0.31 0.00 0.00 0.00 0.00 175.10 175.21 1rir s ALA 177 N -1.75 -0.67 -0.25 5.51 0.00 -0.55 -2.95 121.76 121.10 1rir s ALA 177 Ca 0.34 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.51 1rir s ALA 177 Cb -0.11 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 1rir s ALA 177 CO 0.28 -1.37 0.42 0.08 0.00 0.00 0.00 175.76 175.16 1rir s VAL 178 N 2.43 5.15 -0.29 0.00 1.01 0.26 -2.04 120.40 126.92 1rir s VAL 178 Ca 0.10 0.68 -0.10 0.00 0.00 0.00 0.00 61.98 62.66 1rir s VAL 178 Cb -0.15 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1rir s VAL 178 CO -0.19 0.16 0.15 -0.89 0.00 0.00 0.00 175.10 174.33 1rir s THR 179 N 1.98 4.84 0.73 3.92 2.01 0.11 -0.28 115.64 128.94 1rir s THR 179 Ca 0.17 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 1rir s THR 179 Cb -0.16 -3.36 0.10 0.00 0.01 0.00 0.00 72.50 69.09 1rir s THR 179 CO 0.09 0.19 1.02 0.20 -0.69 0.00 0.00 174.62 175.43 1rir s ASN 180 N 1.67 4.50 0.12 3.53 0.01 -0.72 -2.59 114.94 121.47 1rir s ASN 180 Ca 0.06 0.14 -0.20 0.00 -0.71 0.00 0.00 52.86 52.16 1rir s ASN 180 Cb -0.16 -0.66 -0.06 0.00 0.41 0.00 0.00 41.25 40.77 1rir s ASN 180 CO 0.08 -1.78 1.77 -0.78 -1.51 0.00 0.00 177.10 174.88 1rir h ASP 181 N -0.64 0.19 0.36 -1.22 3.58 -1.89 -2.65 116.42 114.15 1rir h ASP 181 Ca -0.42 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 1rir h ASP 181 Cb 1.29 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.30 1rir h ASP 181 CO 0.50 0.14 -0.07 -0.55 -2.88 0.00 0.00 179.24 176.39 1rir h ASN 182 N 0.24 0.00 0.00 2.28 -0.00 -1.97 -3.47 115.58 112.67 1rir h ASN 182 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.38 1rir h ASN 182 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1rir h ASN 182 CO -0.04 0.07 0.00 0.61 -0.00 0.00 0.00 177.43 178.07 1rir n GLY 183 N -0.71 3.80 3.37 9.14 0.00 -1.00 -5.11 105.19 114.68 1rir n GLY 183 Ca -0.02 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.72 1rir n GLY 183 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rir n ASP 184 N 0.00 -1.76 -4.46 1.61 9.92 -1.26 -4.44 116.55 116.15 1rir n ASP 184 Ca 0.00 0.95 -0.32 0.00 -0.53 0.00 0.00 54.79 54.90 1rir n ASP 184 Cb 0.00 -0.97 -0.13 0.00 -0.64 0.00 0.00 41.12 39.38 1rir n ASP 184 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1rir s ILE 185 N -1.38 2.90 -0.07 0.53 -4.36 -1.26 -1.76 121.20 115.79 1rir s ILE 185 Ca 0.62 -0.93 0.04 0.00 -0.26 0.00 0.00 60.65 60.11 1rir s ILE 185 Cb -0.73 -2.16 -0.02 0.00 1.25 0.00 0.00 42.46 40.80 1rir s ILE 185 CO 0.60 0.49 -0.18 -0.89 0.24 0.00 0.00 174.94 175.19 1rir s THR 186 N -0.81 2.69 0.03 8.37 2.01 0.61 -4.95 115.64 123.59 1rir s THR 186 Ca 0.13 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1rir s THR 186 Cb -0.11 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1rir s THR 186 CO 0.03 0.57 -0.05 0.42 -0.69 0.00 0.00 174.62 174.89 1rir s THR 187 N -0.25 0.31 0.02 -0.82 -4.23 -1.26 0.90 115.64 110.32 1rir s THR 187 Ca 0.00 -1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 59.36 1rir s THR 187 Cb -0.13 -0.48 0.01 0.00 1.34 0.00 0.00 72.50 73.24 1rir s THR 187 CO 0.03 -0.47 0.26 -0.51 -0.54 0.00 0.00 174.62 173.39 1rir s ILE 188 N -1.55 0.08 -0.02 2.99 2.07 -1.15 -5.00 121.20 118.61 1rir s ILE 188 Ca -0.12 -0.68 -0.13 0.00 -1.41 0.00 0.00 60.65 58.31 1rir s ILE 188 Cb -0.09 -0.80 0.02 0.00 0.13 0.00 0.00 42.46 41.72 1rir s ILE 188 CO -0.01 -0.38 0.28 0.00 -1.91 0.00 0.00 174.94 172.93 1rir s ALA 189 N -2.13 -0.71 -0.15 1.50 0.00 -1.26 -1.29 121.76 117.73 1rir s ALA 189 Ca -0.08 0.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.95 1rir s ALA 189 Cb -0.03 0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.16 1rir s ALA 189 CO -0.01 -0.24 0.62 -1.14 0.00 0.00 0.00 175.76 174.99 1rir s GLN 190 N -1.14 0.85 0.10 0.00 2.00 -0.32 -4.98 119.66 116.18 1rir s GLN 190 Ca -0.12 0.55 -0.27 0.00 -2.00 0.00 0.00 55.36 53.52 1rir s GLN 190 Cb -0.05 0.41 -0.06 0.00 0.80 0.00 0.00 33.01 34.10 1rir s GLN 190 CO 0.03 -0.19 0.83 0.08 -0.50 0.00 0.00 175.29 175.54 1rir s VAL 191 N -0.40 4.55 -0.27 1.34 1.01 -1.26 -0.05 120.40 125.33 1rir s VAL 191 Ca -0.05 1.78 -0.01 0.00 0.00 0.00 0.00 61.98 63.70 1rir s VAL 191 Cb -0.03 -4.18 0.15 0.00 0.00 0.00 0.00 36.38 32.32 1rir s VAL 191 CO 0.05 0.40 0.42 -0.69 0.00 0.00 0.00 175.10 175.27 1rir s VAL 192 N -0.38 -0.67 -0.52 2.92 1.01 -0.53 -4.94 120.40 117.29 1rir s VAL 192 Ca 0.40 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.98 1rir s VAL 192 Cb -0.22 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1rir s VAL 192 CO 0.26 -0.16 2.00 -0.62 0.00 0.00 0.00 175.10 176.58 1rir s ASP 193 N 2.59 5.16 0.38 3.32 -1.08 -1.26 -4.79 116.67 120.99 1rir s ASP 193 Ca 0.12 0.72 0.05 0.00 -0.52 0.00 0.00 52.55 52.92 1rir s ASP 193 Cb -0.14 -2.52 0.74 0.00 -1.46 0.00 0.00 42.92 39.54 1rir s ASP 193 CO -0.21 -2.39 2.03 -0.07 0.52 0.00 0.00 175.17 175.04 1rir h LEU 194 N 16.75 0.59 -0.41 -1.34 3.38 -1.96 -0.20 115.31 132.13 1rir h LEU 194 Ca -0.27 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1rir h LEU 194 Cb 1.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1rir h LEU 194 CO 1.17 0.44 0.00 1.17 0.09 0.00 0.00 178.44 181.31 1rir n LYS 195 N -4.45 0.12 -0.08 1.13 4.81 -1.26 -1.29 118.16 117.15 1rir n LYS 195 Ca 0.04 0.34 -0.08 0.00 -0.87 0.00 0.00 58.31 57.75 1rir n LYS 195 Cb 0.06 -1.73 -0.16 0.00 0.02 0.00 0.00 35.03 33.23 1rir n LYS 195 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rir n ALA 196 N -1.67 1.59 -0.04 3.14 0.00 -0.13 -4.60 120.51 118.79 1rir n ALA 196 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1rir n ALA 196 Cb 0.22 -0.32 -0.12 0.00 0.00 0.00 0.00 19.45 19.22 1rir n ALA 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rir n LYS 197 N -2.76 1.05 -4.32 0.00 4.76 -0.91 -5.01 118.16 110.96 1rir n LYS 197 Ca -0.28 -0.07 -0.29 0.00 -2.87 0.00 0.00 58.31 54.79 1rir n LYS 197 Cb 1.10 -1.38 -0.11 0.00 -1.84 0.00 0.00 35.03 32.80 1rir n LYS 197 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1rir s LEU 198 N -4.62 2.64 0.95 -0.35 1.43 -0.41 -4.88 118.68 113.44 1rir s LEU 198 Ca -0.07 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 1rir s LEU 198 Cb 0.07 -1.47 0.16 0.00 0.03 0.00 0.00 46.19 44.98 1rir s LEU 198 CO 0.63 0.17 1.10 -2.16 0.23 0.00 0.00 176.35 176.32 1rir s PRO 199 N -2.24 0.85 0.19 1.29 0.04 -1.26 -4.63 135.00 129.23 1rir s PRO 199 Ca 0.18 0.57 -0.16 0.00 0.04 0.00 0.00 61.00 61.64 1rir s PRO 199 Cb -0.10 -1.78 0.16 0.00 0.04 0.00 0.00 34.50 32.82 1rir s PRO 199 CO 0.10 -2.46 1.65 0.93 0.04 0.00 0.00 177.00 177.26 1rir h GLU 200 N -1.70 -0.01 -4.98 4.56 5.08 -1.95 -3.38 114.58 112.20 1rir h GLU 200 Ca -0.52 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.20 1rir h GLU 200 Cb 1.31 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.40 1rir h GLU 200 CO 0.57 -0.01 -0.45 1.03 -1.00 0.00 0.00 179.01 179.16 1rir s ARG 201 N -6.22 3.98 0.45 2.33 0.52 -1.26 -1.28 118.95 117.47 1rir s ARG 201 Ca -0.14 -0.22 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 1rir s ARG 201 Cb 0.17 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 1rir s ARG 201 CO 0.72 -0.18 0.07 0.14 0.02 0.00 0.00 175.30 176.07 1rir s VAL 202 N 1.77 0.87 0.02 3.52 -7.23 -0.89 -2.57 120.40 115.89 1rir s VAL 202 Ca 0.09 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 1rir s VAL 202 Cb -0.16 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 1rir s VAL 202 CO 0.10 0.00 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.24 1rir s LYS 203 N -3.78 0.79 0.03 4.82 1.02 0.78 -1.17 119.74 122.23 1rir s LYS 203 Ca 0.16 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 55.63 1rir s LYS 203 Cb 0.02 -0.75 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1rir s LYS 203 CO 0.10 0.19 0.06 -0.06 -0.92 0.00 0.00 175.35 174.71 1rir s PHE 204 N -0.59 3.19 -0.07 3.18 0.08 -1.26 -2.03 117.98 120.47 1rir s PHE 204 Ca 0.01 0.12 -0.24 0.00 0.12 0.00 0.00 56.93 56.94 1rir s PHE 204 Cb -0.06 -1.67 0.08 0.00 -0.57 0.00 0.00 43.02 40.79 1rir s PHE 204 CO 0.00 0.52 1.07 0.41 -0.10 0.00 0.00 175.22 177.12 1rir n GLY 205 N 0.98 0.16 3.29 4.36 0.00 -0.85 -1.11 105.19 112.01 1rir n GLY 205 Ca -0.12 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1rir n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rir s PHE 206 N -2.02 2.11 0.12 1.61 0.08 -0.37 -0.65 117.98 118.86 1rir s PHE 206 Ca 0.26 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.94 1rir s PHE 206 Cb -0.00 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 1rir s PHE 206 CO -0.02 0.03 -0.09 0.45 -0.10 0.00 0.00 175.22 175.50 1rir s SER 207 N -0.87 1.48 0.33 1.36 0.15 0.50 -0.43 113.70 116.21 1rir s SER 207 Ca 0.10 -1.00 -0.08 0.00 0.70 0.00 0.00 55.95 55.67 1rir s SER 207 Cb -0.09 0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1rir s SER 207 CO 0.00 -0.39 0.53 0.00 1.20 0.00 0.00 173.24 174.59 1rir s ALA 208 N -3.42 0.23 -0.03 5.45 0.00 -0.18 -1.19 121.76 122.62 1rir s ALA 208 Ca 0.14 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 1rir s ALA 208 Cb 0.04 1.05 0.11 0.00 0.00 0.00 0.00 23.12 24.31 1rir s ALA 208 CO -0.02 -0.84 0.94 -1.54 0.00 0.00 0.00 175.76 174.30 1rir s SER 209 N -3.15 -0.32 0.27 0.00 1.04 -1.26 -3.04 113.70 107.23 1rir s SER 209 Ca 0.26 -0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.70 1rir s SER 209 Cb -0.01 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1rir s SER 209 CO 0.16 -0.56 0.24 -0.83 0.98 0.00 0.00 173.24 173.23 1rir s GLY 210 N -2.43 1.74 0.00 7.32 0.00 -0.77 -0.51 107.32 112.66 1rir s GLY 210 Ca 0.06 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1rir s GLY 210 CO -0.08 -1.35 0.00 -1.14 0.00 0.00 0.00 173.10 170.53 1rir n SER 211 N -0.87 1.26 -0.01 1.64 3.41 0.21 -3.88 113.62 115.39 1rir n SER 211 Ca 0.04 -0.87 -0.13 0.00 -0.26 0.00 0.00 58.87 57.65 1rir n SER 211 Cb 0.64 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 1rir n SER 211 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1rir h LEU 212 N 0.00 -0.01 0.00 1.04 6.46 -1.75 -3.30 115.31 117.75 1rir h LEU 212 Ca 0.00 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1rir h LEU 212 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1rir h LEU 212 CO 0.00 0.46 -1.21 0.61 -0.62 0.00 0.00 178.44 177.68 1rir n GLY 213 N 0.19 -1.35 3.42 3.75 0.00 -1.26 -4.89 105.19 105.06 1rir n GLY 213 Ca -0.08 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1rir n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rir s GLY 214 N -4.34 1.77 0.04 -0.02 0.00 -1.25 -2.09 107.32 101.43 1rir s GLY 214 Ca -0.02 -1.22 -0.18 0.00 0.00 0.00 0.00 44.72 43.30 1rir s GLY 214 CO 0.82 0.57 0.42 0.50 0.00 0.00 0.00 173.10 175.41 1rir s ARG 215 N 1.59 0.93 -0.08 2.90 0.52 0.87 0.68 118.95 126.36 1rir s ARG 215 Ca 0.06 -0.36 -0.32 0.00 -0.52 0.00 0.00 55.73 54.59 1rir s ARG 215 Cb -0.16 0.42 0.14 0.00 0.52 0.00 0.00 34.95 35.87 1rir s ARG 215 CO 0.03 -0.32 1.40 1.14 0.02 0.00 0.00 175.30 177.57 1rir s GLN 216 N -2.48 0.13 0.10 3.54 -2.07 -1.21 -4.06 119.66 113.60 1rir s GLN 216 Ca -0.05 -0.07 -0.21 0.00 -1.82 0.00 0.00 55.36 53.21 1rir s GLN 216 Cb -0.01 0.04 -0.07 0.00 -1.09 0.00 0.00 33.01 31.88 1rir s GLN 216 CO -0.02 -0.06 0.64 0.42 -1.32 0.00 0.00 175.29 174.95 1rir s ILE 217 N -2.14 4.62 -0.32 3.63 1.01 -0.88 -4.83 121.20 122.30 1rir s ILE 217 Ca 0.15 1.38 0.02 0.00 0.00 0.00 0.00 60.65 62.20 1rir s ILE 217 Cb 0.07 -3.98 0.09 0.00 0.01 0.00 0.00 42.46 38.65 1rir s ILE 217 CO -0.06 0.54 0.05 -1.00 0.00 0.00 0.00 174.94 174.47 1rir s HIS 218 N -1.07 2.93 -0.20 3.97 3.76 -1.26 -3.14 115.29 120.28 1rir s HIS 218 Ca 0.31 -2.44 -0.06 0.00 -0.15 0.00 0.00 55.06 52.72 1rir s HIS 218 Cb -0.21 -2.36 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 1rir s HIS 218 CO 0.21 -0.91 0.03 -0.51 -0.85 0.00 0.00 174.74 172.71 1rir s LEU 219 N 1.19 3.42 -0.47 0.89 1.43 0.37 -1.00 118.68 124.52 1rir s LEU 219 Ca 0.08 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 1rir s LEU 219 Cb -0.18 -1.87 0.07 0.00 0.03 0.00 0.00 46.19 44.23 1rir s LEU 219 CO -0.14 0.07 0.38 -0.63 0.23 0.00 0.00 176.35 176.27 1rir s ILE 220 N 0.95 5.18 0.03 -0.59 -1.09 -0.45 -0.53 121.20 124.69 1rir s ILE 220 Ca 0.02 -1.06 -0.05 0.00 -2.23 0.00 0.00 60.65 57.34 1rir s ILE 220 Cb -0.14 -4.08 -0.29 0.00 -1.58 0.00 0.00 42.46 36.37 1rir s ILE 220 CO 0.02 -0.56 0.95 0.03 -1.23 0.00 0.00 174.94 174.15 1rir h ARG 221 N 8.73 0.29 -3.09 2.79 3.08 -1.10 -2.69 114.38 122.39 1rir h ARG 221 Ca -0.28 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.26 1rir h ARG 221 Cb 1.11 0.18 -0.11 0.00 0.08 0.00 0.00 29.97 31.23 1rir h ARG 221 CO 0.86 1.18 0.15 -1.54 -1.07 0.00 0.00 179.97 179.56 1rir s SER 222 N -7.09 -0.46 -0.24 7.04 1.04 -1.16 -4.39 113.70 108.44 1rir s SER 222 Ca -0.08 -0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.04 1rir s SER 222 Cb 0.07 0.59 0.07 0.00 0.10 0.00 0.00 66.02 66.85 1rir s SER 222 CO 0.87 -1.00 0.61 0.86 0.98 0.00 0.00 173.24 175.56 1rir s TRP 223 N -3.79 -0.84 -0.03 5.02 -0.00 -0.10 -2.22 118.94 116.98 1rir s TRP 223 Ca 0.03 1.81 -0.00 0.00 -0.00 0.00 0.00 56.10 57.93 1rir s TRP 223 Cb -0.01 0.43 0.03 0.00 -0.00 0.00 0.00 33.47 33.92 1rir s TRP 223 CO -0.10 -0.42 0.02 -1.54 -0.00 0.00 0.00 176.95 174.91 1rir s SER 224 N 1.16 0.41 0.03 5.86 1.04 -0.43 0.64 113.70 122.42 1rir s SER 224 Ca -0.07 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.40 1rir s SER 224 Cb -0.06 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 1rir s SER 224 CO -0.12 -0.14 -0.07 0.12 0.98 0.00 0.00 173.24 174.02 1rir s PHE 225 N 1.24 0.59 -0.21 5.02 2.19 -1.08 -0.89 117.98 124.84 1rir s PHE 225 Ca -0.07 -0.42 -0.10 0.00 0.33 0.00 0.00 56.93 56.66 1rir s PHE 225 Cb -0.13 -0.36 0.08 0.00 -1.31 0.00 0.00 43.02 41.30 1rir s PHE 225 CO -0.03 -0.08 0.50 0.99 1.83 0.00 0.00 175.22 178.44 1rir s THR 226 N -1.15 -0.27 0.04 0.12 2.01 -0.93 -1.90 115.64 113.56 1rir s THR 226 Ca -0.08 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.04 1rir s THR 226 Cb -0.08 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1rir s THR 226 CO 0.00 0.03 -0.13 -0.94 -0.69 0.00 0.00 174.62 172.90 1rir s SER 227 N 1.90 1.48 -0.05 3.53 1.04 0.10 -0.05 113.70 121.66 1rir s SER 227 Ca -0.07 -0.44 -0.00 0.00 0.48 0.00 0.00 55.95 55.91 1rir s SER 227 Cb -0.09 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 65.97 1rir s SER 227 CO -0.15 0.01 -0.00 -0.89 0.98 0.00 0.00 173.24 173.18 1rir s THR 228 N -0.86 0.28 -0.34 2.02 2.01 -0.36 -0.78 115.64 117.61 1rir s THR 228 Ca 0.00 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 1rir s THR 228 Cb -0.08 -0.39 0.06 0.00 0.01 0.00 0.00 72.50 72.09 1rir s THR 228 CO 0.01 0.20 0.09 -0.22 -0.69 0.00 0.00 174.62 174.01 1rir s LEU 229 N 1.40 4.34 0.14 4.42 2.96 0.18 -2.40 118.68 129.72 1rir s LEU 229 Ca -0.04 -1.33 -0.31 0.00 -0.22 0.00 0.00 54.13 52.23 1rir s LEU 229 Cb -0.13 -1.81 -0.08 0.00 0.50 0.00 0.00 46.19 44.67 1rir s LEU 229 CO -0.03 -0.34 1.28 -0.63 -1.32 0.00 0.00 176.35 175.31 1rir s ILE 230 N 1.31 3.52 -0.32 6.68 1.01 -1.26 -1.95 121.20 130.19 1rir s ILE 230 Ca -0.01 1.16 0.01 0.00 0.00 0.00 0.00 60.65 61.81 1rir s ILE 230 Cb -0.20 -3.74 0.14 0.00 0.01 0.00 0.00 42.46 38.67 1rir s ILE 230 CO 0.00 0.13 0.32 0.42 0.00 0.00 0.00 174.94 175.82 1rir s THR 231 N 0.62 -0.36 0.00 2.92 -4.23 -1.26 -4.83 115.64 108.49 1rir s THR 231 Ca 0.59 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1rir s THR 231 Cb -0.34 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.62 1rir s THR 231 CO 0.33 -0.52 0.00 1.07 -0.54 0.00 0.00 174.62 174.96