#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irp s ARG 2 N 0.00 3.51 -0.76 2.12 6.06 -1.26 -4.88 118.95 123.74 1irp s ARG 2 Ca 0.00 1.08 -0.25 0.00 -2.50 0.00 0.00 55.73 54.06 1irp s ARG 2 Cb 0.00 -4.07 0.05 0.00 0.06 0.00 0.00 34.95 30.99 1irp s ARG 2 CO 0.00 -1.64 1.20 -1.25 -2.50 0.00 0.00 175.30 171.11 1irp s PRO 3 N 5.13 3.23 -1.02 5.12 0.04 -1.26 -4.82 135.00 141.42 1irp s PRO 3 Ca 0.66 -0.59 -0.06 0.00 0.04 0.00 0.00 61.00 61.06 1irp s PRO 3 Cb -0.16 -4.37 0.26 0.00 0.04 0.00 0.00 34.50 30.26 1irp s PRO 3 CO 0.33 -2.04 0.99 -1.13 0.04 0.00 0.00 177.00 175.18 1irp n SER 4 N 8.71 4.98 -0.07 6.66 3.41 -1.26 -4.82 113.62 131.23 1irp n SER 4 Ca 0.06 -3.09 0.01 0.00 -0.26 0.00 0.00 58.87 55.58 1irp n SER 4 Cb 0.48 -1.23 -0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1irp n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1irp n GLY 5 N 2.45 -2.20 2.54 5.00 0.00 -1.26 -4.69 105.19 107.02 1irp n GLY 5 Ca 0.23 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1irp n GLY 5 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1irp n ARG 6 N -2.43 0.94 0.00 1.61 0.00 -1.24 -4.61 116.66 110.94 1irp n ARG 6 Ca -0.00 -2.41 0.00 0.00 -0.00 0.00 0.00 57.85 55.44 1irp n ARG 6 Cb 0.03 -1.30 0.00 0.00 -0.00 0.00 0.00 32.46 31.19 1irp n ARG 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1irp n LYS 7 N 0.64 0.00 0.06 2.89 4.81 -1.26 -5.02 118.16 120.29 1irp n LYS 7 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.54 1irp n LYS 7 Cb 0.66 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.70 1irp n LYS 7 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1irp h SER 8 N 0.00 -0.18 -3.62 3.14 4.64 -1.98 -3.44 113.55 112.11 1irp h SER 8 Ca 0.00 0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 60.82 1irp h SER 8 Cb 0.00 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1irp h SER 8 CO 0.00 0.10 0.45 -0.55 -0.87 0.00 0.00 176.83 175.96 1irp s SER 9 N -4.23 7.34 0.07 4.97 0.15 -1.26 -5.07 113.70 115.67 1irp s SER 9 Ca -0.03 2.06 0.06 0.00 0.70 0.00 0.00 55.95 58.74 1irp s SER 9 Cb 0.00 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1irp s SER 9 CO 0.09 -0.14 -0.16 -0.54 1.20 0.00 0.00 173.24 173.69 1irp s LYS 10 N -0.57 0.93 0.34 5.44 1.02 -1.26 -3.59 119.74 122.05 1irp s LYS 10 Ca 0.47 -0.93 -0.24 0.00 0.02 0.00 0.00 55.97 55.29 1irp s LYS 10 Cb -0.29 -0.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.94 1irp s LYS 10 CO 0.35 0.23 0.92 -1.64 -0.92 0.00 0.00 175.35 174.29 1irp s MET 11 N -1.57 4.45 -0.28 1.68 -1.94 -1.26 -5.05 119.30 115.33 1irp s MET 11 Ca 0.01 1.22 -0.15 0.00 -1.71 0.00 0.00 55.69 55.06 1irp s MET 11 Cb -0.09 -2.64 -0.03 0.00 2.01 0.00 0.00 34.83 34.07 1irp s MET 11 CO 0.02 0.21 0.36 -1.14 -0.01 0.00 0.00 175.02 174.47 1irp s GLN 12 N -2.35 3.95 0.10 2.03 0.74 -1.26 -5.05 119.66 117.81 1irp s GLN 12 Ca 0.53 -0.05 -0.30 0.00 0.05 0.00 0.00 55.36 55.59 1irp s GLN 12 Cb -0.16 -3.68 -0.06 0.00 1.10 0.00 0.00 33.01 30.22 1irp s GLN 12 CO 0.21 -0.31 1.00 0.00 -0.55 0.00 0.00 175.29 175.63 1irp s ALA 13 N 2.05 3.25 0.10 1.58 0.00 -1.26 -1.62 121.76 125.87 1irp s ALA 13 Ca 0.14 0.62 -0.25 0.00 0.00 0.00 0.00 51.96 52.47 1irp s ALA 13 Cb -0.16 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.72 1irp s ALA 13 CO 0.10 -0.11 0.63 0.12 0.00 0.00 0.00 175.76 176.50 1irp s PHE 14 N 0.21 -0.57 0.22 0.00 5.36 0.17 -2.25 117.98 121.12 1irp s PHE 14 Ca 0.49 0.55 -0.23 0.00 -0.96 0.00 0.00 56.93 56.78 1irp s PHE 14 Cb -0.24 0.52 0.04 0.00 -0.34 0.00 0.00 43.02 43.00 1irp s PHE 14 CO 0.30 -0.78 0.78 -0.98 -1.46 0.00 0.00 175.22 173.08 1irp s ARG 15 N -3.04 1.54 0.01 10.12 1.70 -0.84 -2.04 118.95 126.40 1irp s ARG 15 Ca -0.02 -0.83 0.05 0.00 -0.47 0.00 0.00 55.73 54.46 1irp s ARG 15 Cb -0.01 0.54 -0.02 0.00 -0.57 0.00 0.00 34.95 34.90 1irp s ARG 15 CO -0.07 -0.70 -0.14 0.96 -1.08 0.00 0.00 175.30 174.27 1irp s ILE 16 N -3.70 1.12 0.00 4.99 -4.36 -1.26 -1.34 121.20 116.65 1irp s ILE 16 Ca 0.10 -0.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.71 1irp s ILE 16 Cb -0.04 -0.97 0.00 0.00 1.25 0.00 0.00 42.46 42.70 1irp s ILE 16 CO 0.03 0.18 0.00 -2.67 0.24 0.00 0.00 174.94 172.73 1irp n TRP 17 N 2.37 -0.44 -3.83 1.37 4.27 -0.80 -2.04 117.44 118.35 1irp n TRP 17 Ca -0.16 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.33 1irp n TRP 17 Cb 0.55 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.39 1irp n TRP 17 CO 0.00 0.00 0.00 0.16 -2.29 0.00 0.00 177.69 175.56 1irp s ASP 18 N -0.33 -0.13 0.64 -0.67 1.47 0.43 -0.09 116.67 118.00 1irp s ASP 18 Ca 0.00 0.18 0.33 0.00 1.18 0.00 0.00 52.55 54.24 1irp s ASP 18 Cb 0.00 0.33 1.83 0.00 -0.34 0.00 0.00 42.92 44.73 1irp s ASP 18 CO 0.00 -0.18 2.08 0.58 0.68 0.00 0.00 175.17 178.33 1irp h VAL 19 N 4.62 0.15 0.00 2.11 2.07 -1.93 -2.37 116.25 120.91 1irp h VAL 19 Ca -0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1irp h VAL 19 Cb 1.20 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1irp h VAL 19 CO 0.39 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.57 1irp n ASN 20 N -3.23 2.84 -2.68 0.57 4.13 -1.26 -4.82 115.26 110.80 1irp n ASN 20 Ca -0.01 -1.89 -0.02 0.00 1.68 0.00 0.00 54.58 54.35 1irp n ASN 20 Cb 0.31 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 1irp n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1irp n GLN 21 N 0.54 -1.35 -3.71 3.52 1.13 -1.11 -5.09 117.38 111.32 1irp n GLN 21 Ca 0.00 1.47 -0.12 0.00 -1.94 0.00 0.00 57.00 56.41 1irp n GLN 21 Cb 0.47 -4.87 -0.10 0.00 0.11 0.00 0.00 30.24 25.85 1irp n GLN 21 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1irp s LYS 22 N -2.75 0.50 0.12 -1.09 -0.14 -0.91 -4.73 119.74 110.74 1irp s LYS 22 Ca 0.07 0.71 0.05 0.00 -1.36 0.00 0.00 55.97 55.44 1irp s LYS 22 Cb -0.02 0.16 -0.04 0.00 -1.68 0.00 0.00 37.83 36.26 1irp s LYS 22 CO 0.60 -0.10 -0.13 0.95 -0.76 0.00 0.00 175.35 175.92 1irp s THR 23 N 0.67 1.26 -0.19 2.17 -4.23 0.28 -0.43 115.64 115.17 1irp s THR 23 Ca -0.03 -1.75 -0.16 0.00 -1.18 0.00 0.00 61.69 58.57 1irp s THR 23 Cb -0.05 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 1irp s THR 23 CO -0.05 -0.48 0.39 0.12 -0.54 0.00 0.00 174.62 174.06 1irp s PHE 24 N -2.33 3.39 0.14 3.99 5.36 -0.86 -1.35 117.98 126.32 1irp s PHE 24 Ca 0.09 0.63 -0.25 0.00 -0.96 0.00 0.00 56.93 56.44 1irp s PHE 24 Cb -0.04 -2.50 0.07 0.00 -0.34 0.00 0.00 43.02 40.21 1irp s PHE 24 CO 0.02 0.04 0.81 1.52 -1.46 0.00 0.00 175.22 176.15 1irp s TYR 25 N 1.15 -0.30 0.49 10.12 1.13 -1.10 -4.72 117.35 124.12 1irp s TYR 25 Ca 0.19 0.03 -0.11 0.00 -1.41 0.00 0.00 57.07 55.77 1irp s TYR 25 Cb -0.14 0.61 -0.06 0.00 -1.10 0.00 0.00 41.96 41.26 1irp s TYR 25 CO 0.08 -0.84 0.88 -1.17 -2.51 0.00 0.00 175.55 171.98 1irp s LEU 26 N -2.77 3.63 0.05 -3.49 1.98 -1.26 -0.84 118.68 115.98 1irp s LEU 26 Ca 0.07 1.27 0.00 0.00 -2.89 0.00 0.00 54.13 52.58 1irp s LEU 26 Cb -0.02 -4.21 0.00 0.00 0.66 0.00 0.00 46.19 42.62 1irp s LEU 26 CO -0.03 -0.56 0.00 -1.14 -1.89 0.00 0.00 176.35 172.72 1irp n ARG 27 N -1.79 0.00 0.00 1.98 0.00 -1.05 -4.79 116.66 111.01 1irp n ARG 27 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1irp n ARG 27 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 32.46 32.87 1irp n ARG 27 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1irp n ASN 28 N -2.82 0.00 -0.73 6.15 2.85 -1.26 -4.97 115.26 114.47 1irp n ASN 28 Ca 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.53 1irp n ASN 28 Cb 0.00 0.00 0.14 0.00 1.24 0.00 0.00 39.78 41.16 1irp n ASN 28 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1irp n ASN 29 N -0.94 1.53 -3.70 1.20 3.02 -1.26 -5.08 115.26 110.02 1irp n ASN 29 Ca 0.00 -3.23 -0.11 0.00 -0.03 0.00 0.00 54.58 51.21 1irp n ASN 29 Cb 0.00 -0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 38.67 1irp n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1irp s GLN 30 N -2.24 0.94 -0.58 3.52 -1.52 -1.26 -4.99 119.66 113.54 1irp s GLN 30 Ca 0.34 -0.63 -0.24 0.00 -1.95 0.00 0.00 55.36 52.88 1irp s GLN 30 Cb 0.34 0.41 0.04 0.00 -0.22 0.00 0.00 33.01 33.59 1irp s GLN 30 CO -0.08 -0.34 0.98 -0.51 -0.25 0.00 0.00 175.29 175.10 1irp s LEU 31 N -2.48 4.06 0.54 2.90 1.43 -1.26 -2.53 118.68 121.33 1irp s LEU 31 Ca -0.00 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1irp s LEU 31 Cb 0.01 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1irp s LEU 31 CO -0.08 -1.32 0.86 -0.69 0.23 0.00 0.00 176.35 175.36 1irp s VAL 32 N 4.13 4.58 0.18 -1.59 1.01 -0.02 -1.97 120.40 126.72 1irp s VAL 32 Ca 0.30 0.29 0.10 0.00 0.00 0.00 0.00 61.98 62.67 1irp s VAL 32 Cb -0.13 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1irp s VAL 32 CO 0.18 -0.82 -0.21 0.00 0.00 0.00 0.00 175.10 174.24 1irp s ALA 33 N -2.89 2.26 0.00 5.51 0.00 -0.42 -2.72 121.76 123.50 1irp s ALA 33 Ca 0.50 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1irp s ALA 33 Cb -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1irp s ALA 33 CO 0.47 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.98 1irp n GLY 34 N 0.32 2.13 2.64 0.00 0.00 -0.46 -4.19 105.19 105.62 1irp n GLY 34 Ca -0.13 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1irp n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1irp n TYR 35 N 0.00 -2.84 -0.00 1.61 4.01 -1.24 -0.55 117.16 118.14 1irp n TYR 35 Ca 0.00 -2.04 -0.18 0.00 -0.16 0.00 0.00 57.90 55.51 1irp n TYR 35 Cb 0.00 1.14 -0.08 0.00 -0.31 0.00 0.00 39.34 40.09 1irp n TYR 35 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1irp h LEU 36 N 4.49 0.94 -7.08 7.72 7.12 -1.60 -3.46 115.31 123.45 1irp h LEU 36 Ca -0.01 -0.66 -0.03 0.00 0.13 0.00 0.00 57.88 57.32 1irp h LEU 36 Cb 1.02 -0.28 -0.24 0.00 -0.53 0.00 0.00 40.66 40.63 1irp h LEU 36 CO 0.25 1.46 -0.25 -1.58 -0.13 0.00 0.00 178.44 178.19 1irp s GLN 37 N -3.62 0.45 0.00 1.25 -0.44 -1.26 -5.03 119.66 111.01 1irp s GLN 37 Ca -0.10 1.18 0.00 0.00 -2.50 0.00 0.00 55.36 53.94 1irp s GLN 37 Cb 0.08 0.49 0.00 0.00 -1.64 0.00 0.00 33.01 31.94 1irp s GLN 37 CO 0.91 -0.22 0.00 0.41 0.50 0.00 0.00 175.29 176.89 1irp n GLY 38 N 5.25 -2.01 0.33 2.59 0.00 -1.26 -4.16 105.19 105.92 1irp n GLY 38 Ca -0.12 0.96 -0.05 0.00 0.00 0.00 0.00 46.02 46.81 1irp n GLY 38 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1irp h PRO 39 N 0.00 1.13 0.00 1.61 0.11 -2.01 -3.45 132.00 129.38 1irp h PRO 39 Ca 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1irp h PRO 39 Cb 0.00 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.90 1irp h PRO 39 CO 0.00 0.86 0.00 0.27 -0.21 0.00 0.00 178.00 178.92 1irp n ASN 40 N -4.38 -0.15 -3.35 -2.05 0.23 -1.26 -5.09 115.26 99.21 1irp n ASN 40 Ca 0.07 0.07 -0.14 0.00 -0.53 0.00 0.00 54.58 54.06 1irp n ASN 40 Cb 0.13 0.27 -0.08 0.00 -2.08 0.00 0.00 39.78 38.02 1irp n ASN 40 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1irp s VAL 41 N -1.12 -0.48 0.00 3.53 0.11 -1.26 -5.00 120.40 116.18 1irp s VAL 41 Ca 0.00 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1irp s VAL 41 Cb 0.00 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 1irp s VAL 41 CO 0.00 -0.42 0.00 0.59 -3.33 0.00 0.00 175.10 171.94 1irp n ASN 42 N 5.04 0.00 0.08 3.54 5.03 -1.26 -4.97 115.26 122.73 1irp n ASN 42 Ca 0.02 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.37 1irp n ASN 42 Cb 0.47 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.17 1irp n ASN 42 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1irp h LEU 43 N 0.00 0.24 -9.29 3.41 -0.00 -1.95 -3.44 115.31 104.27 1irp h LEU 43 Ca 0.00 -0.22 -0.56 0.00 -0.00 0.00 0.00 57.88 57.10 1irp h LEU 43 Cb 0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 40.55 1irp h LEU 43 CO 0.00 1.09 0.46 -1.83 -0.00 0.00 0.00 178.44 178.15 1irp s GLU 44 N -2.97 4.44 0.00 1.13 -1.05 -1.26 -4.56 118.70 114.43 1irp s GLU 44 Ca -0.02 1.31 0.00 0.00 -0.15 0.00 0.00 54.97 56.11 1irp s GLU 44 Cb 0.09 -3.52 0.00 0.00 -0.44 0.00 0.00 34.13 30.27 1irp s GLU 44 CO 0.84 -0.22 0.00 -1.91 0.95 0.00 0.00 175.26 174.92 1irp n GLU 45 N 4.66 1.37 -2.77 -4.83 0.00 -1.26 -4.79 120.64 113.03 1irp n GLU 45 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1irp n GLU 45 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.94 1irp n GLU 45 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1irp n LYS 46 N 0.00 0.19 0.00 5.31 -0.00 -1.26 -4.91 118.16 117.49 1irp n LYS 46 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 58.31 57.78 1irp n LYS 46 Cb 0.00 0.78 0.00 0.00 -0.00 0.00 0.00 35.03 35.81 1irp n LYS 46 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1irp n ILE 47 N -0.41 0.00 -4.36 0.58 0.13 -0.87 -1.93 119.36 112.50 1irp n ILE 47 Ca 0.01 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.32 1irp n ILE 47 Cb 0.28 0.00 -0.12 0.00 -0.84 0.00 0.00 39.64 38.96 1irp n ILE 47 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1irp s ASP 48 N -4.00 4.74 -0.10 9.51 -1.08 -0.38 -0.66 116.67 124.70 1irp s ASP 48 Ca 0.00 -0.16 -0.01 0.00 -0.52 0.00 0.00 52.55 51.87 1irp s ASP 48 Cb 0.00 -1.78 -0.03 0.00 -1.46 0.00 0.00 42.92 39.66 1irp s ASP 48 CO 0.00 0.15 -0.07 0.54 0.52 0.00 0.00 175.17 176.31 1irp s VAL 49 N 0.48 3.69 -0.16 1.11 0.11 -0.64 -0.38 120.40 124.61 1irp s VAL 49 Ca -0.03 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1irp s VAL 49 Cb -0.14 -2.54 0.02 0.00 -1.53 0.00 0.00 36.38 32.19 1irp s VAL 49 CO 0.03 0.56 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.50 1irp s VAL 50 N -0.35 1.75 0.52 2.04 1.01 -0.74 -4.22 120.40 120.43 1irp s VAL 50 Ca 0.05 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 1irp s VAL 50 Cb -0.12 -1.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.57 1irp s VAL 50 CO 0.02 0.49 1.02 -2.84 0.00 0.00 0.00 175.10 173.79 1irp s PRO 51 N 1.39 3.72 0.22 2.72 0.02 -1.26 -2.07 135.00 139.74 1irp s PRO 51 Ca 0.04 1.19 0.07 0.00 0.02 0.00 0.00 61.00 62.32 1irp s PRO 51 Cb -0.13 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 1irp s PRO 51 CO -0.11 -0.47 0.09 0.42 -0.33 0.00 0.00 177.00 176.60 1irp s ILE 52 N -2.31 4.03 0.08 2.83 -1.09 0.53 -4.10 121.20 121.16 1irp s ILE 52 Ca 0.63 -1.49 -0.15 0.00 -2.23 0.00 0.00 60.65 57.41 1irp s ILE 52 Cb -0.14 -3.12 -0.15 0.00 -1.58 0.00 0.00 42.46 37.48 1irp s ILE 52 CO 0.27 -0.26 1.31 -0.33 -1.23 0.00 0.00 174.94 174.70 1irp h GLU 53 N 2.02 0.66 -3.11 2.79 4.39 -1.90 -3.28 114.58 116.14 1irp h GLU 53 Ca -0.47 -0.47 -0.70 0.00 0.34 0.00 0.00 59.36 58.06 1irp h GLU 53 Cb 1.23 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 1irp h GLU 53 CO 0.60 1.09 3.37 -0.35 -1.16 0.00 0.00 179.01 182.57 1irp n PRO 54 N -4.16 3.74 -3.81 2.33 -0.04 -1.26 -4.67 135.00 127.14 1irp n PRO 54 Ca -0.07 -2.58 -0.24 0.00 -0.04 0.00 0.00 63.50 60.57 1irp n PRO 54 Cb 0.60 -2.85 0.01 0.00 -0.04 0.00 0.00 33.50 31.22 1irp n PRO 54 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1irp n HIS 55 N 3.64 -1.79 -3.99 0.54 8.25 -1.26 -4.95 115.22 115.66 1irp n HIS 55 Ca 0.69 0.76 -0.12 0.00 -0.26 0.00 0.00 57.72 58.79 1irp n HIS 55 Cb 0.27 -4.00 -0.13 0.00 1.12 0.00 0.00 29.99 27.25 1irp n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1irp s ALA 56 N -3.78 0.21 0.09 -1.41 0.00 -1.24 -2.40 121.76 113.23 1irp s ALA 56 Ca 0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 1irp s ALA 56 Cb -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1irp s ALA 56 CO 0.85 -0.03 0.13 -0.51 0.00 0.00 0.00 175.76 176.20 1irp s LEU 57 N -0.72 1.69 0.10 0.00 1.02 -0.47 -0.35 118.68 119.95 1irp s LEU 57 Ca -0.06 -0.80 0.05 0.00 0.02 0.00 0.00 54.13 53.34 1irp s LEU 57 Cb -0.05 0.78 -0.03 0.00 0.02 0.00 0.00 46.19 46.91 1irp s LEU 57 CO -0.00 -0.71 -0.14 0.72 0.02 0.00 0.00 176.35 176.24 1irp s PHE 58 N -3.90 1.29 0.35 0.29 -0.71 -0.88 -1.54 117.98 112.87 1irp s PHE 58 Ca 0.08 -0.53 0.08 0.00 -1.04 0.00 0.00 56.93 55.52 1irp s PHE 58 Cb 0.06 -0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 41.13 1irp s PHE 58 CO -0.09 0.09 0.16 -0.51 -1.34 0.00 0.00 175.22 173.53 1irp s LEU 59 N -2.17 3.28 -0.04 -1.99 2.01 -0.94 -1.79 118.68 117.04 1irp s LEU 59 Ca 0.04 -0.77 -0.01 0.00 0.01 0.00 0.00 54.13 53.40 1irp s LEU 59 Cb -0.07 -1.76 0.03 0.00 0.01 0.00 0.00 46.19 44.41 1irp s LEU 59 CO 0.02 -0.33 0.06 -0.83 1.01 0.00 0.00 176.35 176.28 1irp s GLY 60 N -3.87 0.13 -0.05 -3.19 0.00 0.49 -0.29 107.32 100.54 1irp s GLY 60 Ca 0.38 0.31 0.05 0.00 0.00 0.00 0.00 44.72 45.46 1irp s GLY 60 CO 0.23 1.04 -0.18 -0.42 0.00 0.00 0.00 173.10 173.77 1irp s ILE 61 N 1.56 2.77 -0.51 0.90 1.01 -0.32 -1.25 121.20 125.36 1irp s ILE 61 Ca -0.03 -0.83 0.21 0.00 0.00 0.00 0.00 60.65 60.00 1irp s ILE 61 Cb -0.12 -2.06 0.22 0.00 0.01 0.00 0.00 42.46 40.50 1irp s ILE 61 CO -0.03 0.58 1.64 1.57 0.00 0.00 0.00 174.94 178.70 1irp n HIS 62 N 2.45 0.67 -1.24 3.97 -0.00 -0.81 -2.16 115.22 118.10 1irp n HIS 62 Ca -0.17 0.28 -0.38 0.00 0.46 0.00 0.00 57.72 57.91 1irp n HIS 62 Cb 0.52 -0.95 -0.03 0.00 -0.12 0.00 0.00 29.99 29.41 1irp n HIS 62 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1irp n GLY 63 N -0.30 3.41 0.00 1.57 0.00 -1.26 -4.63 105.19 103.97 1irp n GLY 63 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1irp n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irp n GLY 64 N 4.12 1.37 2.72 -0.02 0.00 -1.26 -4.75 105.19 107.37 1irp n GLY 64 Ca 0.53 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 1irp n GLY 64 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1irp n LYS 65 N 0.00 0.55 -3.17 1.61 -0.00 -1.26 -5.08 118.16 110.82 1irp n LYS 65 Ca 0.00 -1.34 -0.45 0.00 -0.00 0.00 0.00 58.31 56.51 1irp n LYS 65 Cb 0.00 -0.94 -0.04 0.00 -0.00 0.00 0.00 35.03 34.05 1irp n LYS 65 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1irp s MET 66 N 0.43 3.14 -0.64 -1.58 -1.94 -0.92 -1.86 119.30 115.93 1irp s MET 66 Ca 0.28 -1.58 -0.28 0.00 -1.71 0.00 0.00 55.69 52.41 1irp s MET 66 Cb 0.23 -4.34 0.03 0.00 2.01 0.00 0.00 34.83 32.76 1irp s MET 66 CO -0.17 -1.48 1.22 0.00 -0.01 0.00 0.00 175.02 174.57 1irp s LEU 68 N 5.21 3.51 0.08 0.00 1.98 0.60 -0.89 118.68 129.17 1irp s LEU 68 Ca 0.40 0.43 0.01 0.00 -2.89 0.00 0.00 54.13 52.07 1irp s LEU 68 Cb -0.08 -3.32 -0.04 0.00 0.66 0.00 0.00 46.19 43.41 1irp s LEU 68 CO 0.21 -1.49 -0.05 -0.94 -1.89 0.00 0.00 176.35 172.19 1irp s SER 69 N 3.56 0.85 -0.91 3.68 1.04 -0.86 -2.22 113.70 118.84 1irp s SER 69 Ca 0.52 -0.99 -0.17 0.00 0.48 0.00 0.00 55.95 55.78 1irp s SER 69 Cb -0.10 0.14 0.16 0.00 0.10 0.00 0.00 66.02 66.32 1irp s SER 69 CO 0.29 -0.52 1.02 0.00 0.98 0.00 0.00 173.24 175.01 1irp s VAL 71 N 1.82 4.93 -0.23 0.00 0.11 -0.06 -4.49 120.40 122.49 1irp s VAL 71 Ca 0.28 1.22 -0.06 0.00 -2.93 0.00 0.00 61.98 60.48 1irp s VAL 71 Cb -0.06 -4.00 -0.03 0.00 -1.53 0.00 0.00 36.38 30.76 1irp s VAL 71 CO -0.09 -0.03 0.04 -0.75 -3.33 0.00 0.00 175.10 170.94 1irp s LYS 72 N 2.62 3.66 0.00 1.54 2.36 -1.26 -1.69 119.74 126.98 1irp s LYS 72 Ca 0.29 -0.48 0.00 0.00 -2.55 0.00 0.00 55.97 53.22 1irp s LYS 72 Cb -0.15 -3.22 0.00 0.00 -1.05 0.00 0.00 37.83 33.40 1irp s LYS 72 CO 0.09 -0.08 0.00 0.45 1.55 0.00 0.00 175.35 177.36 1irp n SER 73 N 4.57 0.00 0.42 1.43 2.88 -0.97 -5.03 113.62 116.92 1irp n SER 73 Ca -0.17 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.20 1irp n SER 73 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 1irp n SER 73 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1irp h GLY 74 N 0.00 -1.11 0.00 0.46 0.00 -2.06 -3.44 103.07 96.93 1irp h GLY 74 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1irp h GLY 74 CO 0.00 -0.40 -0.54 1.22 0.00 0.00 0.00 176.54 176.82 1irp n ASP 75 N -5.51 1.52 -4.86 0.19 8.00 -1.26 -5.09 116.55 109.54 1irp n ASP 75 Ca -0.14 0.24 -0.31 0.00 0.71 0.00 0.00 54.79 55.29 1irp n ASP 75 Cb 0.43 -0.55 -0.01 0.00 -0.02 0.00 0.00 41.12 40.96 1irp n ASP 75 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1irp s GLU 76 N -2.45 3.75 -0.21 -1.24 2.02 -1.26 -5.09 118.70 114.21 1irp s GLU 76 Ca -0.16 0.72 -0.05 0.00 0.02 0.00 0.00 54.97 55.50 1irp s GLU 76 Cb 0.02 -2.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 1irp s GLU 76 CO 0.23 -0.33 -0.01 0.99 0.02 0.00 0.00 175.26 176.16 1irp s THR 77 N -2.80 3.76 -0.02 3.63 2.01 -1.26 -2.30 115.64 118.65 1irp s THR 77 Ca 0.55 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1irp s THR 77 Cb -0.10 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.70 1irp s THR 77 CO 0.41 0.41 -0.08 -0.60 -0.69 0.00 0.00 174.62 174.07 1irp s ARG 78 N 1.27 0.81 -0.26 4.92 6.06 -0.68 -4.87 118.95 126.19 1irp s ARG 78 Ca 0.04 -0.28 -0.29 0.00 -2.50 0.00 0.00 55.73 52.70 1irp s ARG 78 Cb -0.15 -0.77 0.01 0.00 0.06 0.00 0.00 34.95 34.11 1irp s ARG 78 CO 0.00 0.13 1.04 -1.17 -2.50 0.00 0.00 175.30 172.80 1irp s LEU 79 N 0.07 4.04 0.25 -0.88 2.96 -1.26 -0.88 118.68 122.98 1irp s LEU 79 Ca -0.01 1.23 -0.12 0.00 -0.22 0.00 0.00 54.13 55.01 1irp s LEU 79 Cb -0.06 -3.52 -0.00 0.00 0.50 0.00 0.00 46.19 43.10 1irp s LEU 79 CO 0.00 -0.74 0.48 -1.58 -1.32 0.00 0.00 176.35 173.19 1irp s GLN 80 N 3.34 1.56 -0.46 1.98 0.74 -0.63 -4.72 119.66 121.48 1irp s GLN 80 Ca 0.44 -1.27 -0.14 0.00 0.05 0.00 0.00 55.36 54.43 1irp s GLN 80 Cb -0.14 0.47 0.07 0.00 1.10 0.00 0.00 33.01 34.51 1irp s GLN 80 CO 0.10 -0.65 0.36 -0.51 -0.55 0.00 0.00 175.29 174.04 1irp s LEU 81 N -3.03 5.48 0.41 3.68 2.01 -1.26 -2.02 118.68 123.96 1irp s LEU 81 Ca 0.23 -1.30 -0.22 0.00 0.01 0.00 0.00 54.13 52.85 1irp s LEU 81 Cb -0.01 -2.15 -0.11 0.00 0.01 0.00 0.00 46.19 43.94 1irp s LEU 81 CO 0.09 -0.60 0.95 -1.61 1.01 0.00 0.00 176.35 176.19 1irp s GLU 82 N 1.61 4.28 -0.99 1.70 2.02 -0.06 -4.74 118.70 122.53 1irp s GLU 82 Ca 0.04 1.18 -0.23 0.00 0.02 0.00 0.00 54.97 55.98 1irp s GLU 82 Cb -0.23 -2.31 0.06 0.00 0.10 0.00 0.00 34.13 31.75 1irp s GLU 82 CO 0.06 0.02 1.39 0.00 0.02 0.00 0.00 175.26 176.75 1irp s ALA 83 N -2.04 2.81 -0.11 5.21 0.00 -1.26 -0.63 121.76 125.74 1irp s ALA 83 Ca 0.60 -2.29 -0.06 0.00 0.00 0.00 0.00 51.96 50.20 1irp s ALA 83 Cb -0.12 -4.44 0.04 0.00 0.00 0.00 0.00 23.12 18.61 1irp s ALA 83 CO 0.16 -3.50 0.27 0.08 0.00 0.00 0.00 175.76 172.77 1irp s VAL 84 N 4.67 -0.03 0.00 0.00 1.01 -0.78 -4.99 120.40 120.28 1irp s VAL 84 Ca 0.43 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1irp s VAL 84 Cb -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.96 1irp s VAL 84 CO -0.09 0.05 0.00 -0.46 0.00 0.00 0.00 175.10 174.60 1irp n ASN 85 N 4.05 0.00 0.00 3.32 6.94 -1.26 -4.38 115.26 123.92 1irp n ASN 85 Ca -0.23 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.33 1irp n ASN 85 Cb 0.54 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1irp n ASN 85 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1irp n ILE 86 N -0.07 0.00 -0.33 1.53 0.00 -1.26 -4.56 119.36 114.67 1irp n ILE 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1irp n ILE 86 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 39.64 39.60 1irp n ILE 86 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1irp n THR 87 N 0.00 0.00 -2.37 9.51 5.66 -1.26 -4.11 114.28 121.71 1irp n THR 87 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1irp n THR 87 Cb 0.00 -0.31 -0.00 0.00 -1.55 0.00 0.00 70.33 68.47 1irp n THR 87 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1irp n ASP 88 N 0.00 -4.96 -3.67 1.09 2.03 -1.26 -5.01 116.55 104.77 1irp n ASP 88 Ca 0.00 -0.04 -0.09 0.00 0.52 0.00 0.00 54.79 55.18 1irp n ASP 88 Cb 0.00 -4.04 -0.09 0.00 -0.72 0.00 0.00 41.12 36.27 1irp n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1irp s LEU 89 N -4.85 -0.47 -0.14 -2.67 1.02 -1.26 -5.18 118.68 105.12 1irp s LEU 89 Ca 0.02 1.19 -0.06 0.00 0.02 0.00 0.00 54.13 55.30 1irp s LEU 89 Cb -0.01 1.85 0.07 0.00 0.02 0.00 0.00 46.19 48.12 1irp s LEU 89 CO 0.03 -0.21 0.31 -0.55 0.02 0.00 0.00 176.35 175.94 1irp s SER 90 N 1.40 0.02 -0.13 2.29 0.15 -1.26 -4.99 113.70 111.18 1irp s SER 90 Ca -0.09 0.70 -0.10 0.00 0.70 0.00 0.00 55.95 57.16 1irp s SER 90 Cb -0.06 0.80 -0.05 0.00 -1.71 0.00 0.00 66.02 65.00 1irp s SER 90 CO -0.15 -0.22 0.20 -1.61 1.20 0.00 0.00 173.24 172.66 1irp s GLU 91 N 2.15 3.80 -0.14 5.44 8.01 -1.26 -4.73 118.70 131.97 1irp s GLU 91 Ca -0.02 -0.04 -0.20 0.00 0.01 0.00 0.00 54.97 54.71 1irp s GLU 91 Cb -0.11 -3.28 -0.18 0.00 -4.31 0.00 0.00 34.13 26.24 1irp s GLU 91 CO -0.10 0.57 0.46 -0.97 0.01 0.00 0.00 175.26 175.24 1irp h ASN 92 N 5.60 0.00 -5.04 -0.19 -0.73 -1.92 -3.44 115.58 109.85 1irp h ASN 92 Ca -0.49 -0.65 -0.37 0.00 1.87 0.00 0.00 56.30 56.66 1irp h ASN 92 Cb 1.20 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 39.65 1irp h ASN 92 CO 0.65 0.94 -0.57 -0.13 -0.37 0.00 0.00 177.43 177.95 1irp s ARG 93 N -2.09 1.49 -1.03 6.67 0.52 -1.26 -4.50 118.95 118.75 1irp s ARG 93 Ca -0.16 -1.83 -0.05 0.00 -0.52 0.00 0.00 55.73 53.17 1irp s ARG 93 Cb -0.01 0.01 -0.06 0.00 0.52 0.00 0.00 34.95 35.42 1irp s ARG 93 CO 0.49 -0.43 0.89 1.63 0.02 0.00 0.00 175.30 177.90 1irp n LYS 94 N -0.49 -2.81 -3.74 3.54 5.02 -1.26 -5.06 118.16 113.35 1irp n LYS 94 Ca 0.02 0.83 -0.21 0.00 -2.02 0.00 0.00 58.31 56.93 1irp n LYS 94 Cb 0.65 -5.66 -0.03 0.00 -0.02 0.00 0.00 35.03 29.97 1irp n LYS 94 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1irp s GLN 95 N -4.48 2.69 0.77 1.97 -0.44 -1.26 -5.09 119.66 113.82 1irp s GLN 95 Ca 0.37 -1.34 -0.15 0.00 -2.50 0.00 0.00 55.36 51.75 1irp s GLN 95 Cb -0.05 -2.47 0.05 0.00 -1.64 0.00 0.00 33.01 28.90 1irp s GLN 95 CO 0.71 0.03 1.11 -3.47 0.50 0.00 0.00 175.29 174.17 1irp n ASP 96 N -1.42 0.85 -2.37 6.67 2.03 -1.26 -4.87 116.55 116.18 1irp n ASP 96 Ca -0.01 0.63 -0.05 0.00 0.52 0.00 0.00 54.79 55.88 1irp n ASP 96 Cb 0.60 -1.47 0.03 0.00 -0.72 0.00 0.00 41.12 39.56 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 -2.65 0.04 0.00 -0.67 5.02 -1.26 -4.47 118.16 114.17 1irp n LYS 97 Ca 0.13 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 1irp n LYS 97 Cb 0.50 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 1irp n LYS 97 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1irp n ARG 98 N -1.42 0.00 -0.11 1.97 1.74 -1.21 -4.79 116.66 112.83 1irp n ARG 98 Ca 0.03 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.12 1irp n ARG 98 Cb 0.10 -0.20 0.05 0.00 -1.02 0.00 0.00 32.46 31.39 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 0.26 -4.29 -1.55 3.72 -1.26 -3.55 117.46 110.79 1irp n PHE 99 Ca 0.00 -0.09 -0.16 0.00 -0.05 0.00 0.00 57.45 57.15 1irp n PHE 99 Cb 0.00 -0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 38.31 1irp n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1irp s ALA 100 N -1.36 1.63 -0.07 4.37 0.00 -0.89 -4.05 121.76 121.39 1irp s ALA 100 Ca 0.07 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.25 1irp s ALA 100 Cb 0.05 1.20 -0.03 0.00 0.00 0.00 0.00 23.12 24.35 1irp s ALA 100 CO 0.03 -0.52 -0.10 -0.59 0.00 0.00 0.00 175.76 174.58 1irp s PHE 101 N -3.82 2.86 -0.47 0.00 -0.12 -0.59 -1.58 117.98 114.25 1irp s PHE 101 Ca 0.38 -0.11 -0.17 0.00 -0.05 0.00 0.00 56.93 56.98 1irp s PHE 101 Cb 0.06 -1.71 0.05 0.00 -0.63 0.00 0.00 43.02 40.80 1irp s PHE 101 CO 0.15 0.22 0.48 0.42 -0.05 0.00 0.00 175.22 176.44 1irp s ILE 102 N -0.62 5.08 -0.30 -4.49 1.01 -0.86 -1.36 121.20 119.66 1irp s ILE 102 Ca 0.09 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 1irp s ILE 102 Cb -0.11 -4.16 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 1irp s ILE 102 CO 0.02 -0.62 0.55 0.00 0.00 0.00 0.00 174.94 174.89 1irp s ARG 103 N 2.10 3.90 0.00 2.79 1.04 -1.01 -0.80 118.95 126.97 1irp s ARG 103 Ca 0.10 0.19 0.00 0.00 -1.04 0.00 0.00 55.73 54.97 1irp s ARG 103 Cb -0.21 -3.72 0.00 0.00 -2.04 0.00 0.00 34.95 28.99 1irp s ARG 103 CO 0.10 -0.49 0.00 0.43 -0.04 0.00 0.00 175.30 175.30 1irp n SER 104 N 5.70 0.00 -3.84 -2.89 7.64 -1.14 -4.85 113.62 114.24 1irp n SER 104 Ca -0.03 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.77 1irp n SER 104 Cb 0.49 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 1irp n SER 104 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1irp s ASP 105 N -1.00 -0.26 0.00 6.43 -1.08 -1.26 -4.69 116.67 114.80 1irp s ASP 105 Ca 0.00 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 51.43 1irp s ASP 105 Cb 0.00 0.70 0.00 0.00 -1.46 0.00 0.00 42.92 42.16 1irp s ASP 105 CO 0.00 -1.28 0.04 -1.20 0.52 0.00 0.00 175.17 173.25 1irp n SER 106 N -0.44 0.00 0.00 -0.34 7.64 -1.26 -4.83 113.62 114.39 1irp n SER 106 Ca -0.05 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1irp n SER 106 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1irp n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1irp n GLY 107 N 0.00 0.94 0.30 0.23 0.00 -1.26 -4.70 105.19 100.69 1irp n GLY 107 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 1irp n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1irp h PRO 108 N 0.00 1.03 -3.14 1.61 0.11 -2.03 -3.46 132.00 126.12 1irp h PRO 108 Ca 0.00 -0.20 -0.13 0.00 0.11 0.00 0.00 66.00 65.78 1irp h PRO 108 Cb 0.00 -0.16 -0.22 0.00 0.11 0.00 0.00 31.00 30.73 1irp h PRO 108 CO 0.00 0.86 -0.35 0.95 -0.21 0.00 0.00 178.00 179.25 1irp s THR 109 N -5.51 0.05 0.00 -1.15 -4.23 -1.26 -4.91 115.64 98.62 1irp s THR 109 Ca -0.13 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1irp s THR 109 Cb 0.14 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.47 1irp s THR 109 CO 0.82 -0.21 0.00 1.07 -0.54 0.00 0.00 174.62 175.76 1irp n THR 110 N 1.80 0.00 -3.81 3.99 5.66 -0.45 -3.98 114.28 117.49 1irp n THR 110 Ca -0.19 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.68 1irp n THR 110 Cb 0.56 -1.35 -0.13 0.00 -1.55 0.00 0.00 70.33 67.86 1irp n THR 110 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1irp s SER 111 N -1.00 -0.16 0.25 1.09 1.04 -1.26 -0.97 113.70 112.68 1irp s SER 111 Ca 0.00 0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.83 1irp s SER 111 Cb 0.00 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1irp s SER 111 CO 0.00 -0.06 0.06 -0.36 0.98 0.00 0.00 173.24 173.85 1irp s PHE 112 N 0.18 2.85 0.39 5.02 0.08 -0.93 -2.90 117.98 122.66 1irp s PHE 112 Ca -0.01 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 56.88 1irp s PHE 112 Cb -0.02 -1.29 0.01 0.00 -0.57 0.00 0.00 43.02 41.16 1irp s PHE 112 CO -0.00 0.57 0.12 -1.91 -0.10 0.00 0.00 175.22 173.90 1irp n GLU 113 N -0.85 1.02 -3.57 0.44 2.13 0.02 -0.31 120.64 119.51 1irp n GLU 113 Ca -0.07 -2.64 -0.14 0.00 0.66 0.00 0.00 57.16 54.97 1irp n GLU 113 Cb 0.58 0.55 -0.06 0.00 0.27 0.00 0.00 31.44 32.77 1irp n GLU 113 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1irp s SER 114 N -3.18 -0.55 0.69 4.31 1.04 0.10 -2.02 113.70 114.10 1irp s SER 114 Ca 0.09 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1irp s SER 114 Cb -0.01 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1irp s SER 114 CO 0.06 -0.40 0.00 0.00 0.98 0.00 0.00 173.24 173.88 1irp n ALA 115 N 1.30 0.00 0.00 5.32 0.00 -0.62 -1.90 120.51 124.61 1irp n ALA 115 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 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 5.54 0.00 0.47 0.00 0.00 -1.26 -2.10 120.51 123.16 1irp n ALA 116 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1irp n ALA 116 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -5.55 4.22 -1.08 0.00 0.04 -1.26 -4.97 135.00 126.39 1irp s PRO 118 Ca -0.17 2.13 -0.08 0.00 0.04 0.00 0.00 61.00 62.91 1irp s PRO 118 Cb 0.02 -3.75 0.27 0.00 0.04 0.00 0.00 34.50 31.08 1irp s PRO 118 CO 0.52 -0.73 1.07 0.20 0.04 0.00 0.00 177.00 178.11 1irp s GLY 119 N 2.57 3.21 0.04 0.56 0.00 -1.26 -4.32 107.32 108.12 1irp s GLY 119 Ca 0.69 -3.84 -0.28 0.00 0.00 0.00 0.00 44.72 41.29 1irp s GLY 119 CO 0.28 1.31 0.91 -0.98 0.00 0.00 0.00 173.10 174.63 1irp s TRP 120 N -1.25 3.71 -0.11 1.90 0.51 -0.80 -4.86 118.94 118.04 1irp s TRP 120 Ca 0.30 1.65 -0.30 0.00 -2.12 0.00 0.00 56.10 55.63 1irp s TRP 120 Cb -0.10 -3.02 -0.01 0.00 -0.81 0.00 0.00 33.47 29.53 1irp s TRP 120 CO -0.09 0.12 1.02 -0.06 -0.51 0.00 0.00 176.95 177.43 1irp s PHE 121 N 0.48 3.48 -0.24 -1.98 0.08 0.34 0.02 117.98 120.16 1irp s PHE 121 Ca 0.47 1.56 -0.08 0.00 0.12 0.00 0.00 56.93 59.00 1irp s PHE 121 Cb -0.21 -3.21 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 1irp s PHE 121 CO 0.27 -0.31 0.08 -1.17 -0.10 0.00 0.00 175.22 173.98 1irp s LEU 122 N 2.12 3.56 0.10 -0.37 1.98 0.57 -1.44 118.68 125.20 1irp s LEU 122 Ca 0.48 -0.13 0.02 0.00 -2.89 0.00 0.00 54.13 51.62 1irp s LEU 122 Cb -0.18 -1.94 -0.04 0.00 0.66 0.00 0.00 46.19 44.68 1irp s LEU 122 CO 0.17 0.01 -0.07 0.00 -1.89 0.00 0.00 176.35 174.57 1irp s THR 124 N -3.35 3.73 0.89 0.00 2.01 -0.95 -1.23 115.64 116.74 1irp s THR 124 Ca 0.10 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 1irp s THR 124 Cb 0.03 -2.56 0.13 0.00 0.01 0.00 0.00 72.50 70.11 1irp s THR 124 CO -0.03 0.54 1.10 0.00 -0.69 0.00 0.00 174.62 175.53 1irp s ALA 125 N -0.87 1.53 0.06 7.40 0.00 -0.81 -0.27 121.76 128.80 1irp s ALA 125 Ca 0.14 0.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.05 1irp s ALA 125 Cb -0.11 -3.28 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 1irp s ALA 125 CO 0.03 -2.42 1.47 0.52 0.00 0.00 0.00 175.76 175.37 1irp h MET 126 N -1.60 0.27 0.00 0.00 2.86 -1.90 -3.43 114.93 111.12 1irp h MET 126 Ca -0.48 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 56.95 1irp h MET 126 Cb 1.27 -0.02 0.03 0.00 0.06 0.00 0.00 31.60 32.94 1irp h MET 126 CO 0.50 0.52 0.06 0.39 1.06 0.00 0.00 176.91 179.44 1irp n GLU 127 N -4.74 0.13 0.13 1.72 -0.58 -1.26 -5.03 120.64 111.02 1irp n GLU 127 Ca -0.05 -0.70 0.09 0.00 -0.42 0.00 0.00 57.16 56.09 1irp n GLU 127 Cb 0.23 -0.26 0.04 0.00 -0.57 0.00 0.00 31.44 30.88 1irp n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1irp h ALA 128 N -1.02 0.67 0.00 0.62 0.00 -1.89 -3.39 119.26 114.25 1irp h ALA 128 Ca -0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1irp h ALA 128 Cb 0.34 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1irp h ALA 128 CO 0.09 0.17 -2.00 -3.47 0.00 0.00 0.00 179.25 174.04 1irp n ASP 129 N -2.86 0.42 -4.74 0.00 -0.08 -1.26 -2.01 116.55 106.02 1irp n ASP 129 Ca -0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 1irp n ASP 129 Cb 0.60 1.70 0.09 0.00 2.34 0.00 0.00 41.12 45.84 1irp n ASP 129 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1irp s GLN 130 N -3.18 2.19 0.38 -0.67 -0.21 -1.26 -4.64 119.66 112.27 1irp s GLN 130 Ca -0.08 1.47 0.04 0.00 0.02 0.00 0.00 55.36 56.81 1irp s GLN 130 Cb 0.11 -1.87 0.07 0.00 1.00 0.00 0.00 33.01 32.32 1irp s GLN 130 CO 0.82 -1.74 0.53 -0.35 -2.12 0.00 0.00 175.29 172.43 1irp n PRO 131 N -3.06 0.56 -3.01 2.91 -0.04 -1.26 -1.30 135.00 129.80 1irp n PRO 131 Ca 0.11 -1.80 -0.34 0.00 -0.04 0.00 0.00 63.50 61.43 1irp n PRO 131 Cb 0.52 -0.23 -0.06 0.00 -0.04 0.00 0.00 33.50 33.68 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 -1.38 4.53 0.13 0.52 0.11 -0.83 -1.93 120.40 121.56 1irp s VAL 132 Ca 0.38 1.24 -0.16 0.00 -2.93 0.00 0.00 61.98 60.52 1irp s VAL 132 Cb -0.03 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 31.16 1irp s VAL 132 CO 0.24 -0.12 0.40 -0.44 -3.33 0.00 0.00 175.10 171.86 1irp s SER 133 N -2.07 -0.21 0.05 3.54 0.01 -0.37 -4.94 113.70 109.70 1irp s SER 133 Ca 0.54 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.45 1irp s SER 133 Cb -0.12 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 1irp s SER 133 CO 0.17 -0.88 0.05 -0.76 0.41 0.00 0.00 173.24 172.24 1irp s LEU 134 N -2.82 3.70 -0.02 2.44 1.02 -1.26 -2.08 118.68 119.66 1irp s LEU 134 Ca 0.04 -0.01 -0.06 0.00 0.02 0.00 0.00 54.13 54.13 1irp s LEU 134 Cb 0.02 -2.30 0.00 0.00 0.02 0.00 0.00 46.19 43.93 1irp s LEU 134 CO -0.10 0.21 0.12 0.28 0.02 0.00 0.00 176.35 176.88 1irp s THR 135 N -1.28 0.05 0.13 5.49 -1.32 -0.52 -4.96 115.64 113.24 1irp s THR 135 Ca 0.25 -0.43 0.13 0.00 -1.21 0.00 0.00 61.69 60.43 1irp s THR 135 Cb -0.12 -0.32 -0.01 0.00 -1.51 0.00 0.00 72.50 70.54 1irp s THR 135 CO 0.17 -0.24 1.53 0.78 -2.21 0.00 0.00 174.62 174.66 1irp h ASN 136 N 4.99 0.00 -4.46 8.08 4.21 -1.91 0.98 115.58 127.47 1irp h ASN 136 Ca -0.29 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 56.96 1irp h ASN 136 Cb 1.20 0.00 -0.24 0.00 -1.12 0.00 0.00 38.32 38.16 1irp h ASN 136 CO 0.41 0.62 -0.73 0.00 -1.29 0.00 0.00 177.43 176.44 1irp s MET 137 N -3.27 0.41 0.24 0.81 0.23 -1.26 -4.78 119.30 111.67 1irp s MET 137 Ca 0.01 -0.50 -0.32 0.00 -1.03 0.00 0.00 55.69 53.85 1irp s MET 137 Cb 0.11 -0.23 -0.13 0.00 -1.53 0.00 0.00 34.83 33.06 1irp s MET 137 CO 0.75 0.04 1.59 -2.30 -2.03 0.00 0.00 175.02 173.08 1irp n PRO 138 N 2.06 2.48 0.00 3.16 -0.02 -1.26 -5.03 135.00 136.40 1irp n PRO 138 Ca -0.19 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1irp n PRO 138 Cb 0.56 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1irp n PRO 138 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1irp n ASP 139 N 2.87 0.00 -3.41 2.55 -0.08 -1.26 -5.10 116.55 112.12 1irp n ASP 139 Ca 0.13 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.13 1irp n ASP 139 Cb 0.34 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.69 1irp n ASP 139 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1irp s GLU 140 N 1.28 0.82 0.00 -0.67 2.02 -1.26 -4.93 118.70 115.95 1irp s GLU 140 Ca 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 53.08 1irp s GLU 140 Cb 0.00 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.84 1irp s GLU 140 CO 0.00 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.35 1irp n GLY 141 N 3.15 0.74 1.31 -1.39 0.00 -1.26 -5.05 105.19 102.69 1irp n GLY 141 Ca 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1irp n GLY 141 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1irp n VAL 142 N -1.31 0.36 -4.43 1.61 3.14 -1.26 -5.10 118.33 111.35 1irp n VAL 142 Ca 0.00 0.12 -0.26 0.00 -2.96 0.00 0.00 64.34 61.24 1irp n VAL 142 Cb 0.50 -0.94 -0.11 0.00 -1.06 0.00 0.00 33.84 32.22 1irp n VAL 142 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1irp s MET 143 N -1.41 1.55 -0.54 1.45 -1.94 -1.26 -4.56 119.30 112.59 1irp s MET 143 Ca 0.00 -1.57 -0.25 0.00 -1.71 0.00 0.00 55.69 52.16 1irp s MET 143 Cb 0.00 -1.83 0.04 0.00 2.01 0.00 0.00 34.83 35.04 1irp s MET 143 CO 0.00 0.39 0.96 0.08 -0.01 0.00 0.00 175.02 176.44 1irp s VAL 144 N -1.82 4.37 -0.29 -6.03 1.01 0.63 -4.90 120.40 113.38 1irp s VAL 144 Ca 0.22 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.64 1irp s VAL 144 Cb -0.07 -4.54 0.15 0.00 0.00 0.00 0.00 36.38 31.92 1irp s VAL 144 CO 0.11 -1.08 1.09 1.07 0.00 0.00 0.00 175.10 176.28 1irp n THR 145 N 6.28 1.25 -3.75 3.92 5.66 -1.26 -2.23 114.28 124.15 1irp n THR 145 Ca 0.03 -0.39 -0.30 0.00 -3.05 0.00 0.00 64.05 60.35 1irp n THR 145 Cb 0.48 -0.77 -0.14 0.00 -1.55 0.00 0.00 70.33 68.35 1irp n THR 145 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1irp s LYS 146 N -0.89 1.01 0.00 1.09 -0.14 -1.25 -4.32 119.74 115.23 1irp s LYS 146 Ca 0.12 -1.52 0.02 0.00 -1.36 0.00 0.00 55.97 53.24 1irp s LYS 146 Cb 0.10 -2.23 -0.01 0.00 -1.68 0.00 0.00 37.83 34.02 1irp s LYS 146 CO 0.03 -1.06 -0.08 0.12 -0.76 0.00 0.00 175.35 173.60 1irp s PHE 147 N 1.04 0.71 0.20 3.18 5.36 -0.15 -4.88 117.98 123.45 1irp s PHE 147 Ca 0.13 -0.18 -0.17 0.00 -0.96 0.00 0.00 56.93 55.75 1irp s PHE 147 Cb -0.20 -0.45 -0.08 0.00 -0.34 0.00 0.00 43.02 41.95 1irp s PHE 147 CO -0.13 -0.02 0.65 -0.47 -1.46 0.00 0.00 175.22 173.79 1irp s TYR 148 N -0.36 3.60 -0.47 10.12 6.14 0.87 -1.34 117.35 135.92 1irp s TYR 148 Ca 0.01 1.22 -0.13 0.00 0.64 0.00 0.00 57.07 58.82 1irp s TYR 148 Cb -0.04 -2.50 0.09 0.00 0.42 0.00 0.00 41.96 39.93 1irp s TYR 148 CO -0.00 0.35 0.37 0.12 0.64 0.00 0.00 175.55 177.03 1irp s PHE 149 N -1.55 3.29 -0.30 4.97 5.36 -1.26 -1.90 117.98 126.60 1irp s PHE 149 Ca 0.42 -1.27 -0.11 0.00 -0.96 0.00 0.00 56.93 55.01 1irp s PHE 149 Cb -0.15 -3.24 -0.03 0.00 -0.34 0.00 0.00 43.02 39.25 1irp s PHE 149 CO 0.20 -0.87 0.19 -1.14 -1.46 0.00 0.00 175.22 172.13 1irp s GLN 150 N 1.54 3.66 -0.75 10.12 0.74 -0.45 -5.01 119.66 129.51 1irp s GLN 150 Ca 0.04 -0.51 -0.22 0.00 0.05 0.00 0.00 55.36 54.71 1irp s GLN 150 Cb -0.25 -3.65 0.08 0.00 1.10 0.00 0.00 33.01 30.29 1irp s GLN 150 CO 0.04 -0.31 1.05 -2.00 -0.55 0.00 0.00 175.29 173.52 1irp s GLU 151 N 1.71 3.25 1.06 1.67 2.12 -1.26 -1.99 118.70 125.25 1irp s GLU 151 Ca 0.06 -1.02 -0.17 0.00 0.36 0.00 0.00 54.97 54.20 1irp s GLU 151 Cb -0.17 -4.45 0.23 0.00 0.26 0.00 0.00 34.13 30.01 1irp s GLU 151 CO 0.09 -1.85 1.23 -0.51 -0.54 0.00 0.00 175.26 173.68 1irp s ASP 152 N 3.76 2.22 0.00 -1.70 1.11 -0.95 -4.97 116.67 116.13 1irp s ASP 152 Ca 0.27 0.44 0.26 0.00 0.18 0.00 0.00 52.55 53.70 1irp s ASP 152 Cb -0.13 -0.59 0.55 0.00 1.07 0.00 0.00 42.92 43.82 1irp s ASP 152 CO 0.05 -3.30 1.46 -1.84 1.18 0.00 0.00 175.17 172.72