#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irp n ARG 2 N 0.00 -2.95 -1.49 2.12 3.00 -1.26 -2.57 116.66 113.51 1irp n ARG 2 Ca 0.00 2.46 -0.32 0.00 -0.00 0.00 0.00 57.85 59.99 1irp n ARG 2 Cb 0.00 -5.49 -0.05 0.00 0.00 0.00 0.00 32.46 26.92 1irp n ARG 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1irp n PRO 3 N 0.23 3.47 -2.76 -0.14 -0.04 -1.26 -4.56 135.00 129.94 1irp n PRO 3 Ca 0.06 -2.39 -0.03 0.00 -0.04 0.00 0.00 63.50 61.09 1irp n PRO 3 Cb 0.23 -2.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.21 1irp n PRO 3 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1irp s SER 4 N 1.30 -1.05 -0.65 3.54 0.01 -1.26 -5.02 113.70 110.58 1irp s SER 4 Ca 0.63 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1irp s SER 4 Cb 0.24 1.37 0.16 0.00 0.21 0.00 0.00 66.02 68.00 1irp s SER 4 CO -0.09 -0.04 0.45 -0.83 0.41 0.00 0.00 173.24 173.14 1irp s GLY 5 N 0.99 2.63 0.17 3.44 0.00 -1.23 -4.76 107.32 108.56 1irp s GLY 5 Ca 0.27 -3.43 -0.04 0.00 0.00 0.00 0.00 44.72 41.52 1irp s GLY 5 CO -0.07 1.09 1.43 -0.09 0.00 0.00 0.00 173.10 175.45 1irp h ARG 6 N 6.52 0.51 0.00 2.90 2.43 -1.99 -3.46 114.38 121.28 1irp h ARG 6 Ca 0.01 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1irp h ARG 6 Cb 0.89 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1irp h ARG 6 CO 0.73 1.02 0.00 1.63 -1.51 0.00 0.00 179.97 181.83 1irp n LYS 7 N -3.88 0.00 -3.76 0.20 4.76 -1.26 -5.17 118.16 109.05 1irp n LYS 7 Ca -0.05 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.27 1irp n LYS 7 Cb 0.69 -0.02 -0.08 0.00 -1.84 0.00 0.00 35.03 33.78 1irp n LYS 7 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1irp s SER 8 N -4.35 -0.16 -1.52 4.39 0.15 -1.26 -5.00 113.70 105.95 1irp s SER 8 Ca 0.00 -0.03 -0.11 0.00 0.70 0.00 0.00 55.95 56.51 1irp s SER 8 Cb 0.00 0.33 0.08 0.00 -1.71 0.00 0.00 66.02 64.72 1irp s SER 8 CO 0.00 -0.52 0.83 -1.20 1.20 0.00 0.00 173.24 173.56 1irp n SER 9 N 0.99 -3.38 -2.73 5.45 7.64 -1.26 -4.94 113.62 115.38 1irp n SER 9 Ca -0.20 -0.86 -0.09 0.00 1.01 0.00 0.00 58.87 58.73 1irp n SER 9 Cb 0.57 -3.58 0.07 0.00 -1.01 0.00 0.00 64.21 60.26 1irp n SER 9 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1irp n LYS 10 N -4.53 1.14 -3.22 1.43 4.81 -1.26 -5.08 118.16 111.45 1irp n LYS 10 Ca -0.05 -2.59 0.03 0.00 -0.87 0.00 0.00 58.31 54.84 1irp n LYS 10 Cb 0.56 -0.79 -0.04 0.00 0.02 0.00 0.00 35.03 34.78 1irp n LYS 10 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1irp s MET 11 N -1.47 0.07 -0.30 1.64 1.75 -1.26 -3.52 119.30 116.21 1irp s MET 11 Ca 0.26 0.16 -0.01 0.00 -1.25 0.00 0.00 55.69 54.85 1irp s MET 11 Cb 0.41 0.10 0.13 0.00 2.84 0.00 0.00 34.83 38.31 1irp s MET 11 CO -0.03 -0.02 0.25 -0.65 -0.65 0.00 0.00 175.02 173.92 1irp s GLN 12 N 2.08 0.33 -0.03 4.11 -0.21 -1.06 -5.05 119.66 119.82 1irp s GLN 12 Ca 0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 55.01 1irp s GLN 12 Cb -0.01 -0.82 0.03 0.00 1.00 0.00 0.00 33.01 33.20 1irp s GLN 12 CO -0.16 -1.05 0.07 0.00 -2.12 0.00 0.00 175.29 172.03 1irp s ALA 13 N 2.15 -0.05 0.19 6.09 0.00 -1.26 -0.03 121.76 128.85 1irp s ALA 13 Ca 0.10 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.50 1irp s ALA 13 Cb -0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1irp s ALA 13 CO -0.30 -0.11 0.17 0.34 0.00 0.00 0.00 175.76 175.86 1irp n PHE 14 N 4.04 -0.50 -3.76 0.00 7.35 -0.44 -4.83 117.46 119.32 1irp n PHE 14 Ca -0.25 -1.53 -0.28 0.00 -0.76 0.00 0.00 57.45 54.63 1irp n PHE 14 Cb 0.52 0.18 -0.16 0.00 0.35 0.00 0.00 39.48 40.36 1irp n PHE 14 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1irp s ARG 15 N -2.72 0.74 -0.23 -4.13 1.70 -0.56 -1.57 118.95 112.19 1irp s ARG 15 Ca 0.22 -0.45 -0.13 0.00 -0.47 0.00 0.00 55.73 54.90 1irp s ARG 15 Cb 0.01 -2.10 -0.04 0.00 -0.57 0.00 0.00 34.95 32.24 1irp s ARG 15 CO 0.15 -0.62 0.27 0.96 -1.08 0.00 0.00 175.30 174.98 1irp s ILE 16 N 1.82 5.28 0.00 4.99 -0.00 -1.26 -2.08 121.20 129.95 1irp s ILE 16 Ca -0.01 0.42 0.00 0.00 -0.00 0.00 0.00 60.65 61.06 1irp s ILE 16 Cb -0.17 -3.61 0.00 0.00 -0.00 0.00 0.00 42.46 38.69 1irp s ILE 16 CO -0.08 0.29 0.00 -2.67 -0.00 0.00 0.00 174.94 172.49 1irp n TRP 17 N 4.46 0.00 -3.77 1.37 4.27 -0.22 -1.41 117.44 122.14 1irp n TRP 17 Ca -0.12 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.36 1irp n TRP 17 Cb 0.52 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.37 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 0.28 -0.22 0.65 -0.67 1.47 0.43 -0.14 116.67 118.46 1irp s ASP 18 Ca 0.00 0.26 0.39 0.00 1.18 0.00 0.00 52.55 54.39 1irp s ASP 18 Cb 0.00 0.43 2.19 0.00 -0.34 0.00 0.00 42.92 45.20 1irp s ASP 18 CO 0.00 -0.31 2.29 0.58 0.68 0.00 0.00 175.17 178.42 1irp h VAL 19 N 4.21 0.14 -0.37 2.11 2.07 -1.96 -2.24 116.25 120.21 1irp h VAL 19 Ca -0.28 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 66.99 1irp h VAL 19 Cb 1.18 0.96 -0.11 0.00 -1.52 0.00 0.00 31.29 31.81 1irp h VAL 19 CO 0.37 0.00 0.32 0.59 0.02 0.00 0.00 177.57 178.87 1irp n ASN 20 N -3.27 6.22 -2.77 0.57 4.13 -1.26 -4.85 115.26 114.03 1irp n ASN 20 Ca -0.03 -2.92 -0.01 0.00 1.68 0.00 0.00 54.58 53.31 1irp n ASN 20 Cb 0.12 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.28 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 0.61 -1.26 -3.77 3.52 6.02 -1.14 -5.09 117.38 116.27 1irp n GLN 21 Ca 0.23 1.43 -0.13 0.00 -0.01 0.00 0.00 57.00 58.52 1irp n GLN 21 Cb 0.56 -5.04 -0.09 0.00 1.02 0.00 0.00 30.24 26.69 1irp n GLN 21 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1irp s LYS 22 N -2.88 0.62 0.02 -1.09 1.02 -0.85 -4.48 119.74 112.10 1irp s LYS 22 Ca 0.04 -0.15 0.01 0.00 0.02 0.00 0.00 55.97 55.88 1irp s LYS 22 Cb -0.01 0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.56 1irp s LYS 22 CO 0.63 -0.16 -0.05 0.95 -0.92 0.00 0.00 175.35 175.80 1irp s THR 23 N -1.19 0.28 -0.85 2.17 -4.23 0.33 -0.43 115.64 111.71 1irp s THR 23 Ca -0.12 -0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.55 1irp s THR 23 Cb -0.05 -0.36 0.22 0.00 1.34 0.00 0.00 72.50 73.65 1irp s THR 23 CO 0.04 -0.33 0.75 0.12 -0.54 0.00 0.00 174.62 174.66 1irp s PHE 24 N -1.10 3.82 0.03 3.99 2.19 -0.50 -0.30 117.98 126.11 1irp s PHE 24 Ca -0.10 -2.73 0.07 0.00 0.33 0.00 0.00 56.93 54.51 1irp s PHE 24 Cb -0.08 -3.43 -0.02 0.00 -1.31 0.00 0.00 43.02 38.18 1irp s PHE 24 CO -0.00 -0.84 -0.21 1.52 1.83 0.00 0.00 175.22 177.52 1irp s TYR 25 N -0.77 1.85 0.14 10.12 1.13 -0.90 -4.70 117.35 124.21 1irp s TYR 25 Ca 0.24 -0.37 0.02 0.00 -1.41 0.00 0.00 57.07 55.55 1irp s TYR 25 Cb -0.11 -1.12 -0.04 0.00 -1.10 0.00 0.00 41.96 39.59 1irp s TYR 25 CO -0.09 0.07 0.27 -1.17 -2.51 0.00 0.00 175.55 172.13 1irp s LEU 26 N -1.07 4.33 0.02 -3.49 0.20 -1.26 -0.36 118.68 117.05 1irp s LEU 26 Ca 0.08 0.18 0.00 0.00 0.69 0.00 0.00 54.13 55.08 1irp s LEU 26 Cb -0.09 -2.91 0.00 0.00 -0.43 0.00 0.00 46.19 42.76 1irp s LEU 26 CO 0.01 0.07 0.00 -1.14 -0.29 0.00 0.00 176.35 175.00 1irp n ARG 27 N -0.44 0.00 0.00 1.98 0.63 -1.26 -4.66 116.66 112.91 1irp n ARG 27 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1irp n ARG 27 Cb 0.54 -0.11 0.00 0.00 0.45 0.00 0.00 32.46 33.34 1irp n ARG 27 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1irp n ASN 28 N -2.71 0.00 -2.82 6.15 4.13 -1.26 -4.99 115.26 113.77 1irp n ASN 28 Ca 0.00 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.15 1irp n ASN 28 Cb 0.00 -0.24 0.06 0.00 -1.54 0.00 0.00 39.78 38.06 1irp n ASN 28 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1irp n ASN 29 N -2.11 -0.95 0.00 6.41 2.85 -1.26 -5.02 115.26 115.18 1irp n ASN 29 Ca 0.00 -3.09 0.00 0.00 -0.11 0.00 0.00 54.58 51.38 1irp n ASN 29 Cb 0.00 0.76 0.00 0.00 1.24 0.00 0.00 39.78 41.78 1irp n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1irp n GLN 30 N 0.04 1.98 -3.37 1.20 1.13 -1.26 -4.96 117.38 112.14 1irp n GLN 30 Ca 0.08 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.82 1irp n GLN 30 Cb 0.75 -0.88 0.03 0.00 0.11 0.00 0.00 30.24 30.25 1irp n GLN 30 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1irp n LEU 31 N -1.31 -3.59 -4.82 1.08 4.32 -1.26 -3.38 117.00 108.04 1irp n LEU 31 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.66 1irp n LEU 31 Cb 0.13 -1.95 -0.06 0.00 -1.62 0.00 0.00 43.42 39.92 1irp n LEU 31 CO 0.00 -0.53 0.66 -0.69 -1.22 0.00 0.00 177.39 175.62 1irp s VAL 32 N -1.65 4.33 0.22 4.08 1.01 0.51 -1.06 120.40 127.84 1irp s VAL 32 Ca 0.34 1.41 -0.10 0.00 0.00 0.00 0.00 61.98 63.64 1irp s VAL 32 Cb -0.04 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 1irp s VAL 32 CO 0.82 -0.35 0.55 0.00 0.00 0.00 0.00 175.10 176.12 1irp s ALA 33 N -2.21 3.57 0.00 5.51 0.00 -0.49 -2.13 121.76 126.02 1irp s ALA 33 Ca 0.62 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1irp s ALA 33 Cb -0.10 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1irp s ALA 33 CO 0.16 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.84 1irp n GLY 34 N -0.06 0.51 2.41 0.00 0.00 0.59 -2.01 105.19 106.62 1irp n GLY 34 Ca -0.00 0.70 -0.20 0.00 0.00 0.00 0.00 46.02 46.52 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 1.26 -0.03 1.61 4.02 -0.34 -0.51 117.16 123.17 1irp n TYR 35 Ca 0.00 -3.75 -0.16 0.00 -0.01 0.00 0.00 57.90 53.98 1irp n TYR 35 Cb 0.00 -0.42 -0.10 0.00 -0.02 0.00 0.00 39.34 38.80 1irp n TYR 35 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1irp h LEU 36 N 2.98 0.45 -6.55 7.72 7.12 -1.64 -3.43 115.31 121.97 1irp h LEU 36 Ca 0.10 -0.67 -0.44 0.00 0.13 0.00 0.00 57.88 56.99 1irp h LEU 36 Cb 0.88 -0.13 -0.36 0.00 -0.53 0.00 0.00 40.66 40.52 1irp h LEU 36 CO 0.58 1.05 -0.73 -1.58 -0.13 0.00 0.00 178.44 177.64 1irp s GLN 37 N -3.56 0.43 -0.97 1.25 -0.44 -1.26 -5.06 119.66 110.05 1irp s GLN 37 Ca -0.14 -0.69 -0.07 0.00 -2.50 0.00 0.00 55.36 51.95 1irp s GLN 37 Cb 0.04 -0.93 0.01 0.00 -1.64 0.00 0.00 33.01 30.48 1irp s GLN 37 CO 0.79 -1.11 0.14 0.41 0.50 0.00 0.00 175.29 176.02 1irp n GLY 38 N 4.72 -0.23 3.54 2.59 0.00 -1.26 -4.97 105.19 109.59 1irp n GLY 38 Ca 0.04 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1irp n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1irp s PRO 39 N -6.18 3.34 -0.49 1.61 0.04 -1.26 -4.43 135.00 127.63 1irp s PRO 39 Ca 0.10 -0.14 0.06 0.00 0.04 0.00 0.00 61.00 61.06 1irp s PRO 39 Cb -0.06 -4.08 0.19 0.00 0.04 0.00 0.00 34.50 30.59 1irp s PRO 39 CO 0.67 -1.71 0.68 -1.71 0.04 0.00 0.00 177.00 174.96 1irp n ASN 40 N 8.18 -2.81 -3.62 6.66 2.85 -1.26 -4.94 115.26 120.31 1irp n ASN 40 Ca 0.04 -2.86 -0.27 0.00 -0.11 0.00 0.00 54.58 51.37 1irp n ASN 40 Cb 0.48 1.32 0.01 0.00 1.24 0.00 0.00 39.78 42.83 1irp n ASN 40 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1irp n VAL 41 N 2.75 -1.59 0.24 3.44 0.24 -1.26 -4.69 118.33 117.44 1irp n VAL 41 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 1irp n VAL 41 Cb 0.55 -2.50 0.00 0.00 -1.47 0.00 0.00 33.84 30.42 1irp n VAL 41 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1irp n ASN 42 N -2.59 -3.93 -0.13 -1.34 2.85 -1.26 -4.96 115.26 103.90 1irp n ASN 42 Ca 0.01 0.90 0.15 0.00 -0.11 0.00 0.00 54.58 55.52 1irp n ASN 42 Cb 0.54 3.66 0.68 0.00 1.24 0.00 0.00 39.78 45.90 1irp n ASN 42 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1irp n LEU 43 N -3.50 0.48 -4.65 1.20 4.32 -1.26 -4.85 117.00 108.74 1irp n LEU 43 Ca 0.00 -0.04 -0.41 0.00 -0.02 0.00 0.00 56.01 55.54 1irp n LEU 43 Cb 0.00 -0.13 -0.06 0.00 -1.62 0.00 0.00 43.42 41.62 1irp n LEU 43 CO 0.00 0.09 0.44 -1.83 -1.22 0.00 0.00 177.39 174.87 1irp s GLU 44 N -2.32 4.18 0.00 3.23 -1.05 -1.26 -4.91 118.70 116.58 1irp s GLU 44 Ca 0.34 0.68 0.00 0.00 -0.15 0.00 0.00 54.97 55.84 1irp s GLU 44 Cb 0.21 -3.61 0.00 0.00 -0.44 0.00 0.00 34.13 30.29 1irp s GLU 44 CO 0.43 -0.34 0.00 0.39 0.95 0.00 0.00 175.26 176.69 1irp n GLU 45 N 5.40 0.00 -3.25 -4.83 -0.58 -1.26 -4.98 120.64 111.14 1irp n GLU 45 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1irp n GLU 45 Cb 0.49 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.32 1irp n GLU 45 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1irp s LYS 46 N 0.69 0.46 -0.03 3.49 2.20 -1.26 -4.92 119.74 120.36 1irp s LYS 46 Ca 0.00 0.58 0.06 0.00 -0.36 0.00 0.00 55.97 56.25 1irp s LYS 46 Cb 0.00 -0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.27 1irp s LYS 46 CO 0.00 -0.78 -0.19 -1.50 -0.36 0.00 0.00 175.35 172.51 1irp s ILE 47 N 2.68 1.55 0.00 5.43 -1.16 -0.61 -1.38 121.20 127.71 1irp s ILE 47 Ca 0.14 -0.82 0.00 0.00 -0.51 0.00 0.00 60.65 59.46 1irp s ILE 47 Cb -0.14 -1.30 0.00 0.00 0.61 0.00 0.00 42.46 41.63 1irp s ILE 47 CO -0.22 0.44 0.00 -0.67 -2.81 0.00 0.00 174.94 171.68 1irp n ASP 48 N 2.77 0.00 -3.79 4.50 2.03 -0.37 -1.33 116.55 120.36 1irp n ASP 48 Ca -0.16 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.05 1irp n ASP 48 Cb 0.53 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 1irp n ASP 48 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1irp s VAL 49 N 2.14 0.08 -0.39 5.18 0.11 -0.61 -1.50 120.40 125.41 1irp s VAL 49 Ca 0.00 -0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 58.05 1irp s VAL 49 Cb 0.00 -1.46 0.10 0.00 -1.53 0.00 0.00 36.38 33.49 1irp s VAL 49 CO 0.00 -0.35 0.18 -0.69 -3.33 0.00 0.00 175.10 170.91 1irp s VAL 50 N -3.87 3.37 0.68 2.04 1.01 0.08 -1.69 120.40 122.02 1irp s VAL 50 Ca 0.08 -1.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.09 1irp s VAL 50 Cb 0.02 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 1irp s VAL 50 CO -0.07 -0.57 1.07 -2.16 0.00 0.00 0.00 175.10 173.37 1irp s PRO 51 N 1.20 3.10 0.00 2.72 0.04 -1.26 -1.63 135.00 139.17 1irp s PRO 51 Ca 0.05 0.55 -0.21 0.00 0.04 0.00 0.00 61.00 61.43 1irp s PRO 51 Cb -0.22 -2.04 -0.20 0.00 0.04 0.00 0.00 34.50 32.07 1irp s PRO 51 CO -0.03 -0.88 1.16 0.97 0.04 0.00 0.00 177.00 178.26 1irp h ILE 52 N -0.54 1.43 0.00 0.56 2.10 -1.21 -3.46 117.51 116.38 1irp h ILE 52 Ca -0.45 -1.84 0.00 0.00 1.08 0.00 0.00 64.86 63.66 1irp h ILE 52 Cb 1.23 2.42 0.00 0.00 -1.09 0.00 0.00 36.82 39.38 1irp h ILE 52 CO 0.63 0.53 0.00 -0.62 -1.08 0.00 0.00 178.15 177.61 1irp n GLU 53 N -4.37 0.00 -0.04 2.19 -0.58 -1.26 -4.87 120.64 111.71 1irp n GLU 53 Ca -0.09 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.63 1irp n GLU 53 Cb 0.55 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.41 1irp n GLU 53 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1irp h PRO 54 N 0.00 0.00 0.00 3.49 0.13 -2.03 -3.47 132.00 130.12 1irp h PRO 54 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1irp h PRO 54 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1irp h PRO 54 CO 0.00 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.49 1irp n HIS 55 N -3.65 0.00 -4.40 1.56 8.25 -1.26 -4.82 115.22 110.89 1irp n HIS 55 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 1irp n HIS 55 Cb 0.10 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.04 1.75 0.00 -1.41 0.00 -1.26 -4.48 121.76 116.32 1irp s ALA 56 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1irp s ALA 56 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1irp s ALA 56 CO 0.00 -0.12 0.00 -0.11 0.00 0.00 0.00 175.76 175.53 1irp n LEU 57 N 4.28 0.00 -4.74 0.00 -0.00 -0.57 -0.60 117.00 115.37 1irp n LEU 57 Ca -0.19 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.42 1irp n LEU 57 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.88 1irp n LEU 57 CO 0.24 0.00 0.61 -0.36 -0.00 0.00 0.00 177.39 177.88 1irp s PHE 58 N 0.00 3.85 0.03 1.96 0.40 -0.64 -0.38 117.98 123.19 1irp s PHE 58 Ca 0.00 1.76 -0.18 0.00 -0.60 0.00 0.00 56.93 57.91 1irp s PHE 58 Cb 0.00 -2.98 -0.06 0.00 0.51 0.00 0.00 43.02 40.49 1irp s PHE 58 CO 0.00 0.30 0.51 -0.51 0.70 0.00 0.00 175.22 176.23 1irp s LEU 59 N -0.38 4.49 0.20 -0.37 2.01 -0.86 -0.74 118.68 123.02 1irp s LEU 59 Ca 0.43 1.13 -0.20 0.00 0.01 0.00 0.00 54.13 55.50 1irp s LEU 59 Cb -0.23 -2.79 0.04 0.00 0.01 0.00 0.00 46.19 43.22 1irp s LEU 59 CO 0.29 0.26 0.59 -0.83 1.01 0.00 0.00 176.35 177.67 1irp s GLY 60 N -0.90 -0.26 -0.11 -3.19 0.00 -0.56 -1.11 107.32 101.19 1irp s GLY 60 Ca 0.27 -0.02 0.03 0.00 0.00 0.00 0.00 44.72 45.00 1irp s GLY 60 CO 0.16 -0.09 -0.19 -1.50 0.00 0.00 0.00 173.10 171.49 1irp s ILE 61 N -3.85 1.77 -1.02 0.90 -1.16 0.40 -1.24 121.20 117.00 1irp s ILE 61 Ca 0.07 -0.82 -0.12 0.00 -0.51 0.00 0.00 60.65 59.27 1irp s ILE 61 Cb -0.02 -1.57 0.23 0.00 0.61 0.00 0.00 42.46 41.71 1irp s ILE 61 CO -0.04 0.49 1.05 -2.28 -2.81 0.00 0.00 174.94 171.36 1irp s HIS 62 N 0.75 3.93 0.00 3.50 5.65 -0.48 -2.34 115.29 126.31 1irp s HIS 62 Ca -0.10 -2.30 0.00 0.00 0.25 0.00 0.00 55.06 52.90 1irp s HIS 62 Cb -0.16 -3.93 0.00 0.00 -1.18 0.00 0.00 32.58 27.31 1irp s HIS 62 CO 0.01 -1.06 0.00 0.41 -0.65 0.00 0.00 174.74 173.45 1irp n GLY 63 N 3.49 -1.35 0.00 1.59 0.00 -1.26 -4.25 105.19 103.41 1irp n GLY 63 Ca 0.22 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1irp n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irp n GLY 64 N 0.00 3.25 1.67 -0.02 0.00 -1.26 -4.87 105.19 103.96 1irp n GLY 64 Ca 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.01 1irp n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1irp n LYS 65 N 0.00 -0.19 -4.00 1.61 5.02 -1.15 -4.93 118.16 114.52 1irp n LYS 65 Ca 0.00 0.64 -0.21 0.00 -2.02 0.00 0.00 58.31 56.72 1irp n LYS 65 Cb 0.00 -1.99 -0.17 0.00 -0.02 0.00 0.00 35.03 32.85 1irp n LYS 65 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1irp s MET 66 N -2.42 0.72 -0.12 1.97 -1.94 -0.99 -1.94 119.30 114.58 1irp s MET 66 Ca 0.01 -0.02 -0.13 0.00 -1.71 0.00 0.00 55.69 53.84 1irp s MET 66 Cb -0.00 -0.87 0.03 0.00 2.01 0.00 0.00 34.83 36.01 1irp s MET 66 CO 0.09 -0.17 0.35 0.00 -0.01 0.00 0.00 175.02 175.28 1irp n LEU 68 N 2.65 0.00 0.00 0.00 7.94 -0.27 -1.75 117.00 125.57 1irp n LEU 68 Ca -0.14 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.66 1irp n LEU 68 Cb 0.57 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.49 1irp n LEU 68 CO 0.16 0.00 -0.01 -0.24 -1.11 0.00 0.00 177.39 176.19 1irp n SER 69 N 0.00 -0.50 -4.52 1.96 2.88 -0.56 -2.03 113.62 110.84 1irp n SER 69 Ca 0.00 -2.18 -0.42 0.00 -1.33 0.00 0.00 58.87 54.95 1irp n SER 69 Cb 0.00 1.07 -0.03 0.00 -0.75 0.00 0.00 64.21 64.50 1irp n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1irp s VAL 71 N 4.47 0.59 0.34 0.00 0.11 -0.33 -4.82 120.40 120.76 1irp s VAL 71 Ca 0.39 -0.47 -0.26 0.00 -2.93 0.00 0.00 61.98 58.71 1irp s VAL 71 Cb -0.04 -0.52 -0.10 0.00 -1.53 0.00 0.00 36.38 34.19 1irp s VAL 71 CO -0.04 0.06 0.97 -1.59 -3.33 0.00 0.00 175.10 171.16 1irp s LYS 72 N -0.46 4.51 -0.12 1.54 -2.85 -1.26 -3.02 119.74 118.08 1irp s LYS 72 Ca 0.01 1.37 -0.23 0.00 -1.00 0.00 0.00 55.97 56.12 1irp s LYS 72 Cb -0.04 -2.76 -0.27 0.00 -2.06 0.00 0.00 37.83 32.70 1irp s LYS 72 CO -0.00 0.20 0.67 0.77 0.10 0.00 0.00 175.35 177.09 1irp h SER 73 N 3.07 0.23 0.00 0.03 0.02 -1.93 -3.48 113.55 111.48 1irp h SER 73 Ca -0.47 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 59.60 1irp h SER 73 Cb 1.20 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1irp h SER 73 CO 0.65 1.34 0.00 0.61 -1.14 0.00 0.00 176.83 178.28 1irp n GLY 74 N 1.63 -1.60 0.00 -3.77 0.00 -1.26 -5.07 105.19 95.12 1irp n GLY 74 Ca -0.18 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1irp n GLY 74 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1irp n ASP 75 N -2.86 0.00 -2.26 1.61 5.75 -1.26 -5.03 116.55 112.50 1irp n ASP 75 Ca 0.00 0.40 -0.07 0.00 -0.01 0.00 0.00 54.79 55.11 1irp n ASP 75 Cb 0.00 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.03 1irp n ASP 75 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1irp n GLU 76 N -0.64 1.11 -2.48 0.11 4.07 -1.26 -5.11 120.64 116.44 1irp n GLU 76 Ca 0.00 -0.89 -0.41 0.00 -0.06 0.00 0.00 57.16 55.81 1irp n GLU 76 Cb 0.00 0.40 -0.04 0.00 -0.06 0.00 0.00 31.44 31.74 1irp n GLU 76 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1irp s THR 77 N -1.78 3.73 0.05 6.31 2.01 -1.26 -4.02 115.64 120.68 1irp s THR 77 Ca 0.04 1.53 -0.00 0.00 0.31 0.00 0.00 61.69 63.56 1irp s THR 77 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1irp s THR 77 CO 0.03 0.28 -0.04 -0.60 -0.69 0.00 0.00 174.62 173.60 1irp s ARG 78 N -0.57 0.59 -0.42 4.92 3.52 -1.17 -4.90 118.95 120.92 1irp s ARG 78 Ca 0.49 -1.13 -0.29 0.00 -0.13 0.00 0.00 55.73 54.68 1irp s ARG 78 Cb -0.31 0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.21 1irp s ARG 78 CO 0.37 -0.08 1.44 -1.17 -0.81 0.00 0.00 175.30 175.05 1irp s LEU 79 N -2.67 3.56 -0.08 -0.88 0.20 -1.26 -1.18 118.68 116.37 1irp s LEU 79 Ca 0.04 0.81 0.02 0.00 0.69 0.00 0.00 54.13 55.69 1irp s LEU 79 Cb 0.04 -3.50 0.01 0.00 -0.43 0.00 0.00 46.19 42.32 1irp s LEU 79 CO -0.07 -1.48 -0.12 -1.58 -0.29 0.00 0.00 176.35 172.80 1irp s GLN 80 N 5.05 1.72 -0.29 1.98 2.00 -0.58 -4.95 119.66 124.60 1irp s GLN 80 Ca 0.62 -0.40 -0.06 0.00 -2.00 0.00 0.00 55.36 53.51 1irp s GLN 80 Cb -0.14 -1.48 0.01 0.00 0.80 0.00 0.00 33.01 32.20 1irp s GLN 80 CO 0.32 -0.02 0.07 -0.51 -0.50 0.00 0.00 175.29 174.65 1irp s LEU 81 N 0.85 3.78 0.33 3.68 1.02 -1.26 -1.50 118.68 125.58 1irp s LEU 81 Ca -0.11 -0.71 -0.18 0.00 0.02 0.00 0.00 54.13 53.15 1irp s LEU 81 Cb -0.15 -1.86 -0.09 0.00 0.02 0.00 0.00 46.19 44.10 1irp s LEU 81 CO 0.01 -0.18 0.80 -0.70 0.02 0.00 0.00 176.35 176.30 1irp s GLU 82 N 1.49 4.15 -0.22 1.70 2.12 -0.72 -4.47 118.70 122.74 1irp s GLU 82 Ca 0.02 0.86 -0.29 0.00 0.36 0.00 0.00 54.97 55.92 1irp s GLU 82 Cb -0.17 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.72 1irp s GLU 82 CO 0.02 0.17 1.35 0.00 -0.54 0.00 0.00 175.26 176.26 1irp s ALA 83 N -1.91 3.49 0.02 6.30 0.00 -1.26 -0.54 121.76 127.85 1irp s ALA 83 Ca 0.53 0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 1irp s ALA 83 Cb -0.12 -3.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 1irp s ALA 83 CO 0.18 -1.53 -0.02 0.54 0.00 0.00 0.00 175.76 174.92 1irp s VAL 84 N 4.12 0.10 -0.01 0.00 0.11 -0.82 -4.97 120.40 118.94 1irp s VAL 84 Ca 0.59 -0.85 0.07 0.00 -2.93 0.00 0.00 61.98 58.87 1irp s VAL 84 Cb -0.21 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.37 1irp s VAL 84 CO 0.21 -0.46 -0.23 0.54 -3.33 0.00 0.00 175.10 171.83 1irp s ASN 85 N -1.37 2.69 -0.28 3.54 2.20 -1.26 -4.62 114.94 115.84 1irp s ASN 85 Ca -0.15 -0.43 -0.22 0.00 -0.94 0.00 0.00 52.86 51.11 1irp s ASN 85 Cb -0.09 -0.29 -0.01 0.00 -2.00 0.00 0.00 41.25 38.86 1irp s ASN 85 CO -0.01 0.27 0.74 -0.51 -2.94 0.00 0.00 177.10 174.65 1irp s ILE 86 N -0.58 4.87 -0.05 0.54 1.10 -1.26 -4.93 121.20 120.90 1irp s ILE 86 Ca 0.09 1.22 0.04 0.00 -0.51 0.00 0.00 60.65 61.49 1irp s ILE 86 Cb -0.09 -4.06 -0.06 0.00 0.15 0.00 0.00 42.46 38.40 1irp s ILE 86 CO -0.00 -0.12 0.02 1.07 -2.11 0.00 0.00 174.94 173.79 1irp n THR 87 N 5.36 0.33 -2.76 4.00 5.66 -1.26 -4.90 114.28 120.70 1irp n THR 87 Ca 0.02 -0.20 -0.04 0.00 -3.05 0.00 0.00 64.05 60.78 1irp n THR 87 Cb 0.48 -0.87 0.05 0.00 -1.55 0.00 0.00 70.33 68.44 1irp n THR 87 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1irp n ASP 88 N -2.17 1.34 -3.65 1.09 9.92 -1.26 -5.03 116.55 116.78 1irp n ASP 88 Ca -0.08 -2.33 -0.25 0.00 -0.53 0.00 0.00 54.79 51.61 1irp n ASP 88 Cb 0.65 -0.43 -0.05 0.00 -0.64 0.00 0.00 41.12 40.66 1irp n ASP 88 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1irp n LEU 89 N -0.40 -0.48 -4.85 0.64 4.77 -1.26 -4.93 117.00 110.48 1irp n LEU 89 Ca 0.07 -0.52 -0.36 0.00 -0.03 0.00 0.00 56.01 55.17 1irp n LEU 89 Cb 0.81 -1.33 -0.06 0.00 -2.33 0.00 0.00 43.42 40.52 1irp n LEU 89 CO 0.14 0.06 0.14 -0.44 -1.33 0.00 0.00 177.39 175.96 1irp s SER 90 N -2.69 6.74 -0.17 -1.43 0.01 -1.26 -5.09 113.70 109.81 1irp s SER 90 Ca 0.49 0.93 -0.06 0.00 1.31 0.00 0.00 55.95 58.61 1irp s SER 90 Cb -0.28 -2.23 0.08 0.00 0.21 0.00 0.00 66.02 63.80 1irp s SER 90 CO 0.60 0.18 0.35 -1.83 0.41 0.00 0.00 173.24 172.95 1irp s GLU 91 N -1.76 0.25 -1.29 12.44 -1.05 -1.26 -5.07 118.70 120.96 1irp s GLU 91 Ca 0.33 0.90 -0.16 0.00 -0.15 0.00 0.00 54.97 55.90 1irp s GLU 91 Cb -0.15 0.16 0.10 0.00 -0.44 0.00 0.00 34.13 33.80 1irp s GLU 91 CO 0.18 -0.27 1.71 -1.71 0.95 0.00 0.00 175.26 176.11 1irp n ASN 92 N 5.37 4.93 -2.84 0.83 5.15 -1.26 -4.86 115.26 122.58 1irp n ASN 92 Ca -0.07 -2.94 -0.32 0.00 -0.60 0.00 0.00 54.58 50.64 1irp n ASN 92 Cb 0.50 -1.67 -0.03 0.00 -0.53 0.00 0.00 39.78 38.04 1irp n ASN 92 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1irp n ARG 93 N 7.10 3.14 -3.64 1.20 1.74 -1.26 -4.89 116.66 120.06 1irp n ARG 93 Ca 0.45 -2.86 -0.08 0.00 -0.77 0.00 0.00 57.85 54.58 1irp n ARG 93 Cb 0.44 -2.29 -0.07 0.00 -1.02 0.00 0.00 32.46 29.51 1irp n ARG 93 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1irp s LYS 94 N -1.96 0.56 0.28 5.56 2.20 -1.26 -5.05 119.74 120.07 1irp s LYS 94 Ca 0.56 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 1irp s LYS 94 Cb 0.33 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.88 1irp s LYS 94 CO -0.21 -0.08 0.00 1.04 -0.36 0.00 0.00 175.35 175.74 1irp n GLN 95 N 2.83 -3.29 -3.88 4.03 1.13 -1.26 -5.10 117.38 111.85 1irp n GLN 95 Ca -0.15 2.39 -0.14 0.00 -1.94 0.00 0.00 57.00 57.16 1irp n GLN 95 Cb 0.56 -2.65 -0.15 0.00 0.11 0.00 0.00 30.24 28.11 1irp n GLN 95 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1irp s ASP 96 N -2.02 0.16 -0.34 1.08 -1.08 -1.26 -4.99 116.67 108.23 1irp s ASP 96 Ca 0.00 -0.00 0.16 0.00 -0.52 0.00 0.00 52.55 52.19 1irp s ASP 96 Cb 0.00 -0.07 0.43 0.00 -1.46 0.00 0.00 42.92 41.82 1irp s ASP 96 CO 0.00 -0.05 0.89 0.29 0.52 0.00 0.00 175.17 176.83 1irp n LYS 97 N 3.58 1.09 -0.29 4.34 5.02 -1.26 -4.92 118.16 125.72 1irp n LYS 97 Ca -0.20 -3.26 0.00 0.00 -2.02 0.00 0.00 58.31 52.83 1irp n LYS 97 Cb 0.55 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1irp n LYS 97 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1irp n ARG 98 N 0.03 0.00 0.00 1.97 1.85 -1.26 -5.10 116.66 114.15 1irp n ARG 98 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 1irp n ARG 98 Cb 0.78 -0.36 0.00 0.00 -1.05 0.00 0.00 32.46 31.83 1irp n ARG 98 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1irp n PHE 99 N -0.15 0.00 -3.25 2.89 3.01 -1.26 -3.38 117.46 115.31 1irp n PHE 99 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 1irp n PHE 99 Cb 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.47 1irp n PHE 99 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1irp s ALA 100 N -1.11 3.56 -0.22 4.37 0.00 -0.81 -4.35 121.76 123.21 1irp s ALA 100 Ca 0.00 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 51.02 1irp s ALA 100 Cb 0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 1irp s ALA 100 CO 0.00 -0.86 0.61 -0.06 0.00 0.00 0.00 175.76 175.45 1irp s PHE 101 N 2.31 3.35 -0.30 0.00 0.08 0.48 -1.55 117.98 122.36 1irp s PHE 101 Ca 0.20 0.87 -0.10 0.00 0.12 0.00 0.00 56.93 58.01 1irp s PHE 101 Cb -0.16 -2.79 -0.03 0.00 -0.57 0.00 0.00 43.02 39.48 1irp s PHE 101 CO 0.10 -0.21 0.17 0.42 -0.10 0.00 0.00 175.22 175.61 1irp s ILE 102 N 2.05 4.93 -0.80 0.64 -1.09 -0.74 -1.52 121.20 124.67 1irp s ILE 102 Ca 0.27 -0.15 -0.21 0.00 -2.23 0.00 0.00 60.65 58.33 1irp s ILE 102 Cb -0.16 -3.43 0.09 0.00 -1.58 0.00 0.00 42.46 37.38 1irp s ILE 102 CO 0.10 0.15 1.08 -0.13 -1.23 0.00 0.00 174.94 174.91 1irp s ARG 103 N 1.68 3.34 -1.35 2.79 0.52 -1.26 -1.98 118.95 122.70 1irp s ARG 103 Ca 0.06 -1.18 -0.15 0.00 -0.52 0.00 0.00 55.73 53.94 1irp s ARG 103 Cb -0.16 -4.59 0.09 0.00 0.52 0.00 0.00 34.95 30.80 1irp s ARG 103 CO 0.08 -1.85 1.91 0.45 0.02 0.00 0.00 175.30 175.91 1irp n SER 104 N 7.46 4.59 -4.73 0.23 2.88 -1.24 -4.94 113.62 117.87 1irp n SER 104 Ca 0.10 -2.93 -0.41 0.00 -1.33 0.00 0.00 58.87 54.31 1irp n SER 104 Cb 0.47 -1.65 -0.04 0.00 -0.75 0.00 0.00 64.21 62.24 1irp n SER 104 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1irp s ASP 105 N 3.13 7.28 -0.27 -3.46 -4.77 -1.26 -4.01 116.67 113.31 1irp s ASP 105 Ca 0.48 1.54 0.04 0.00 -3.30 0.00 0.00 52.55 51.31 1irp s ASP 105 Cb 0.08 -2.51 0.48 0.00 -1.09 0.00 0.00 42.92 39.88 1irp s ASP 105 CO -0.01 -0.08 1.56 -1.54 0.70 0.00 0.00 175.17 175.81 1irp n SER 106 N 3.17 3.70 0.00 2.11 3.41 0.13 -4.99 113.62 121.14 1irp n SER 106 Ca 0.01 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.63 1irp n SER 106 Cb 0.50 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1irp n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1irp n GLY 107 N -0.37 1.34 0.18 5.00 0.00 -1.26 -4.58 105.19 105.50 1irp n GLY 107 Ca 0.36 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 0.15 -5.32 1.61 0.11 -1.94 -3.45 132.00 123.17 1irp h PRO 108 Ca 0.00 -0.09 -0.43 0.00 0.11 0.00 0.00 66.00 65.59 1irp h PRO 108 Cb 0.00 0.01 -0.24 0.00 0.11 0.00 0.00 31.00 30.88 1irp h PRO 108 CO 0.00 0.62 -0.79 0.95 -0.21 0.00 0.00 178.00 178.57 1irp s THR 109 N -3.94 1.10 0.09 -1.15 -4.23 -1.26 -0.84 115.64 105.41 1irp s THR 109 Ca -0.03 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1irp s THR 109 Cb 0.13 -1.02 -0.00 0.00 1.34 0.00 0.00 72.50 72.94 1irp s THR 109 CO 0.77 -0.08 0.04 1.07 -0.54 0.00 0.00 174.62 175.89 1irp n THR 110 N 1.69 0.00 -3.94 3.99 5.66 0.41 -0.70 114.28 121.39 1irp n THR 110 Ca -0.19 -0.54 -0.09 0.00 -3.05 0.00 0.00 64.05 60.18 1irp n THR 110 Cb 0.54 0.22 -0.08 0.00 -1.55 0.00 0.00 70.33 69.47 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 -1.55 0.13 -0.43 1.09 1.04 -1.26 -2.01 113.70 110.72 1irp s SER 111 Ca 0.06 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 1irp s SER 111 Cb 0.00 0.36 0.12 0.00 0.10 0.00 0.00 66.02 66.60 1irp s SER 111 CO 0.04 -0.78 0.22 -0.36 0.98 0.00 0.00 173.24 173.34 1irp s PHE 112 N -3.92 3.58 0.47 5.02 0.08 -0.88 -3.64 117.98 118.68 1irp s PHE 112 Ca 0.12 -2.57 -0.03 0.00 0.12 0.00 0.00 56.93 54.57 1irp s PHE 112 Cb 0.05 -3.17 -0.02 0.00 -0.57 0.00 0.00 43.02 39.31 1irp s PHE 112 CO -0.05 -0.94 0.74 -1.21 -0.10 0.00 0.00 175.22 173.65 1irp s GLU 113 N 0.89 3.26 -0.17 0.44 8.01 -0.84 -1.83 118.70 128.47 1irp s GLU 113 Ca 0.10 -0.13 -0.27 0.00 0.01 0.00 0.00 54.97 54.67 1irp s GLU 113 Cb -0.22 -2.45 0.07 0.00 -4.31 0.00 0.00 34.13 27.22 1irp s GLU 113 CO -0.04 -0.27 0.70 0.45 0.01 0.00 0.00 175.26 176.10 1irp s SER 114 N -4.17 -0.71 0.00 -0.19 0.15 0.73 -1.79 113.70 107.73 1irp s SER 114 Ca 0.48 1.12 0.00 0.00 0.70 0.00 0.00 55.95 58.25 1irp s SER 114 Cb -0.10 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 1irp s SER 114 CO 0.41 -0.41 0.00 0.00 1.20 0.00 0.00 173.24 174.45 1irp n ALA 115 N 1.92 0.00 -1.00 5.45 0.00 -0.59 -1.80 120.51 124.48 1irp n ALA 115 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1irp n ALA 115 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1irp n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp n ALA 116 N 1.39 0.00 -0.01 0.00 0.00 -1.25 -1.91 120.51 118.72 1irp n ALA 116 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1irp n ALA 116 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1irp n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp s PRO 118 N -1.25 0.42 0.00 0.00 0.04 -1.26 -4.78 135.00 128.17 1irp s PRO 118 Ca -0.03 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1irp s PRO 118 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1irp s PRO 118 CO 0.05 -2.68 0.00 0.41 0.04 0.00 0.00 177.00 174.82 1irp n GLY 119 N -1.73 1.35 2.78 0.56 0.00 -1.26 -4.47 105.19 102.41 1irp n GLY 119 Ca 0.08 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 1irp n GLY 119 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1irp s TRP 120 N 0.00 -0.04 -0.24 1.61 0.52 -0.74 -4.19 118.94 115.86 1irp s TRP 120 Ca 0.00 0.34 -0.10 0.00 0.02 0.00 0.00 56.10 56.36 1irp s TRP 120 Cb 0.00 -0.29 0.10 0.00 -1.15 0.00 0.00 33.47 32.12 1irp s TRP 120 CO 0.00 -0.17 0.54 -0.59 0.02 0.00 0.00 176.95 176.74 1irp s PHE 121 N 1.71 -0.99 0.00 -1.98 -0.12 0.09 -0.19 117.98 116.50 1irp s PHE 121 Ca -0.02 1.85 0.00 0.00 -0.05 0.00 0.00 56.93 58.71 1irp s PHE 121 Cb -0.12 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1irp s PHE 121 CO -0.04 -0.53 0.00 -0.11 -0.05 0.00 0.00 175.22 174.49 1irp n LEU 122 N 5.05 0.00 0.00 -1.99 7.94 -0.76 -1.81 117.00 125.43 1irp n LEU 122 Ca -0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.76 1irp n LEU 122 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1irp n LEU 122 CO -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 1irp s THR 124 N 1.23 1.22 -1.00 0.00 -4.23 -1.26 -1.91 115.64 109.70 1irp s THR 124 Ca 0.00 -1.72 -0.23 0.00 -1.18 0.00 0.00 61.69 58.56 1irp s THR 124 Cb 0.00 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.34 1irp s THR 124 CO 0.00 -0.47 1.72 0.00 -0.54 0.00 0.00 174.62 175.32 1irp s ALA 125 N -2.29 2.23 0.00 3.99 0.00 -0.74 -4.31 121.76 120.65 1irp s ALA 125 Ca 0.08 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1irp s ALA 125 Cb -0.04 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.52 1irp s ALA 125 CO 0.02 -4.22 0.00 -1.33 0.00 0.00 0.00 175.76 170.23 1irp n MET 126 N 8.80 0.00 -3.99 0.00 0.00 -1.26 -4.57 117.12 116.10 1irp n MET 126 Ca 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.99 1irp n MET 126 Cb 0.49 -0.60 -0.05 0.00 0.00 0.00 0.00 33.22 33.06 1irp n MET 126 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1irp s GLU 127 N 0.00 1.61 0.00 0.03 2.56 -1.26 -4.70 118.70 116.94 1irp s GLU 127 Ca 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 54.97 53.67 1irp s GLU 127 Cb 0.00 0.48 -0.09 0.00 2.00 0.00 0.00 34.13 36.52 1irp s GLU 127 CO 0.00 -0.68 1.68 0.00 -0.56 0.00 0.00 175.26 175.70 1irp n ALA 128 N -0.40 3.26 0.00 6.30 0.00 -1.26 -3.70 120.51 124.70 1irp n ALA 128 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1irp n ALA 128 Cb 0.62 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1irp n ALA 128 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1irp n ASP 129 N 2.53 0.00 -4.94 0.00 5.68 -0.85 -1.19 116.55 117.77 1irp n ASP 129 Ca 0.15 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.19 1irp n ASP 129 Cb 0.37 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.40 1irp n ASP 129 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1irp s GLN 130 N -1.00 2.50 1.07 0.11 -0.21 -1.24 -4.38 119.66 116.51 1irp s GLN 130 Ca 0.00 -0.36 -0.14 0.00 0.02 0.00 0.00 55.36 54.88 1irp s GLN 130 Cb 0.00 -2.30 0.23 0.00 1.00 0.00 0.00 33.01 31.93 1irp s GLN 130 CO 0.00 -0.92 1.09 -2.14 -2.12 0.00 0.00 175.29 171.20 1irp s PRO 131 N -5.02 -0.16 0.38 2.91 0.02 -1.26 -1.39 135.00 130.47 1irp s PRO 131 Ca 0.57 0.37 -0.27 0.00 0.02 0.00 0.00 61.00 61.69 1irp s PRO 131 Cb -0.11 -1.68 -0.11 0.00 0.02 0.00 0.00 34.50 32.62 1irp s PRO 131 CO 0.43 -3.10 1.26 1.55 -0.33 0.00 0.00 177.00 176.81 1irp n VAL 132 N -4.41 2.25 -3.74 3.83 3.14 -0.23 -1.78 118.33 117.39 1irp n VAL 132 Ca 0.07 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.81 1irp n VAL 132 Cb 0.58 -1.53 -0.09 0.00 -1.06 0.00 0.00 33.84 31.73 1irp n VAL 132 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1irp s SER 133 N -0.43 -0.32 0.29 6.55 0.15 -0.80 -4.74 113.70 114.40 1irp s SER 133 Ca 0.58 0.46 0.09 0.00 0.70 0.00 0.00 55.95 57.78 1irp s SER 133 Cb -0.55 0.56 -0.06 0.00 -1.71 0.00 0.00 66.02 64.26 1irp s SER 133 CO 0.60 -0.30 -0.12 -0.76 1.20 0.00 0.00 173.24 173.87 1irp s LEU 134 N -0.55 2.60 0.03 3.45 1.43 -1.26 -0.98 118.68 123.39 1irp s LEU 134 Ca -0.07 -1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 51.80 1irp s LEU 134 Cb -0.04 -0.87 0.01 0.00 0.03 0.00 0.00 46.19 45.32 1irp s LEU 134 CO 0.03 -0.18 0.21 -0.89 0.23 0.00 0.00 176.35 175.74 1irp s THR 135 N -2.76 0.10 -0.12 5.49 2.01 -0.75 -4.74 115.64 114.87 1irp s THR 135 Ca 0.30 -0.82 0.23 0.00 0.31 0.00 0.00 61.69 61.71 1irp s THR 135 Cb 0.01 -0.85 0.26 0.00 0.01 0.00 0.00 72.50 71.93 1irp s THR 135 CO 0.13 -0.45 1.70 0.78 -0.69 0.00 0.00 174.62 176.09 1irp h ASN 136 N 3.54 0.00 -4.04 3.53 2.35 -1.83 0.29 115.58 119.42 1irp h ASN 136 Ca -0.32 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 54.99 1irp h ASN 136 Cb 1.19 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.37 1irp h ASN 136 CO 0.47 0.18 -0.77 0.00 -1.65 0.00 0.00 177.43 175.65 1irp s MET 137 N -3.36 1.05 0.04 0.81 0.23 -1.26 -4.78 119.30 112.02 1irp s MET 137 Ca 0.03 -1.22 -0.30 0.00 -1.03 0.00 0.00 55.69 53.17 1irp s MET 137 Cb 0.08 -1.01 -0.06 0.00 -1.53 0.00 0.00 34.83 32.31 1irp s MET 137 CO 0.65 0.20 1.39 -1.25 -2.03 0.00 0.00 175.02 173.99 1irp s PRO 138 N -2.49 4.30 1.00 3.16 0.04 -1.26 -5.03 135.00 134.72 1irp s PRO 138 Ca 0.08 1.99 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 1irp s PRO 138 Cb -0.06 -3.48 0.23 0.00 0.04 0.00 0.00 34.50 31.23 1irp s PRO 138 CO 0.04 -0.52 1.34 -3.47 0.04 0.00 0.00 177.00 174.42 1irp n ASP 139 N 4.93 0.02 -2.99 6.66 -0.08 -1.26 -5.00 116.55 118.82 1irp n ASP 139 Ca 0.13 -1.47 -0.38 0.00 -1.51 0.00 0.00 54.79 51.55 1irp n ASP 139 Cb 0.43 -1.03 0.02 0.00 2.34 0.00 0.00 41.12 42.88 1irp n ASP 139 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1irp n GLU 140 N -3.90 3.21 -3.29 -0.67 1.02 -1.26 -4.80 120.64 110.95 1irp n GLU 140 Ca 0.17 -3.50 -0.17 0.00 -0.02 0.00 0.00 57.16 53.63 1irp n GLU 140 Cb 0.59 -2.30 0.07 0.00 -0.02 0.00 0.00 31.44 29.78 1irp n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1irp n GLY 141 N -0.12 -0.23 0.10 0.62 0.00 -1.26 -5.00 105.19 99.29 1irp n GLY 141 Ca 0.52 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.13 1.49 -3.41 1.61 3.14 -1.26 -4.97 118.33 110.79 1irp n VAL 142 Ca -0.08 0.05 -0.32 0.00 -2.96 0.00 0.00 64.34 61.02 1irp n VAL 142 Cb 0.58 -2.25 -0.05 0.00 -1.06 0.00 0.00 33.84 31.06 1irp n VAL 142 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1irp s MET 143 N -2.67 3.82 -1.30 1.45 -1.94 -1.26 -4.68 119.30 112.71 1irp s MET 143 Ca -0.28 0.29 -0.18 0.00 -1.71 0.00 0.00 55.69 53.81 1irp s MET 143 Cb 0.06 -2.67 0.05 0.00 2.01 0.00 0.00 34.83 34.28 1irp s MET 143 CO 0.41 0.33 1.83 1.33 -0.01 0.00 0.00 175.02 178.90 1irp n VAL 144 N -0.07 3.68 0.01 -6.03 0.24 -1.26 -4.82 118.33 110.09 1irp n VAL 144 Ca 0.00 -3.75 0.03 0.00 -2.04 0.00 0.00 64.34 58.59 1irp n VAL 144 Cb 0.52 -2.37 0.21 0.00 -1.47 0.00 0.00 33.84 30.73 1irp n VAL 144 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1irp n THR 145 N 6.33 1.44 -3.61 3.34 5.66 -1.26 -4.48 114.28 121.71 1irp n THR 145 Ca 0.49 -0.73 -0.28 0.00 -3.05 0.00 0.00 64.05 60.49 1irp n THR 145 Cb 0.45 -0.39 -0.11 0.00 -1.55 0.00 0.00 70.33 68.73 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 -1.92 1.50 0.01 1.09 1.02 -1.25 -4.24 119.74 115.96 1irp s LYS 146 Ca 0.28 -2.55 0.02 0.00 0.02 0.00 0.00 55.97 53.74 1irp s LYS 146 Cb 0.22 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1irp s LYS 146 CO 0.08 -1.33 -0.00 -0.59 -0.92 0.00 0.00 175.35 172.59 1irp s PHE 147 N -0.46 3.06 0.27 3.18 -0.12 -0.85 -4.84 117.98 118.22 1irp s PHE 147 Ca 0.28 0.07 -0.29 0.00 -0.05 0.00 0.00 56.93 56.94 1irp s PHE 147 Cb -0.02 -1.65 -0.09 0.00 -0.63 0.00 0.00 43.02 40.62 1irp s PHE 147 CO -0.17 0.46 1.13 -0.47 -0.05 0.00 0.00 175.22 176.12 1irp s TYR 148 N -1.10 3.52 -0.45 3.49 6.14 0.80 -0.44 117.35 129.30 1irp s TYR 148 Ca 0.20 1.65 -0.12 0.00 0.64 0.00 0.00 57.07 59.43 1irp s TYR 148 Cb -0.12 -3.33 0.08 0.00 0.42 0.00 0.00 41.96 39.02 1irp s TYR 148 CO 0.11 -0.72 0.34 0.12 0.64 0.00 0.00 175.55 176.04 1irp s PHE 149 N -1.01 3.29 0.05 4.97 5.36 -0.02 -1.05 117.98 129.57 1irp s PHE 149 Ca 0.46 -1.26 -0.01 0.00 -0.96 0.00 0.00 56.93 55.16 1irp s PHE 149 Cb -0.33 -3.14 -0.04 0.00 -0.34 0.00 0.00 43.02 39.18 1irp s PHE 149 CO 0.41 -0.84 -0.03 1.14 -1.46 0.00 0.00 175.22 174.44 1irp s GLN 150 N 1.53 0.57 -0.13 10.12 -2.07 -0.88 -4.93 119.66 123.87 1irp s GLN 150 Ca 0.04 -1.12 0.01 0.00 -1.82 0.00 0.00 55.36 52.46 1irp s GLN 150 Cb -0.24 0.19 0.02 0.00 -1.09 0.00 0.00 33.01 31.88 1irp s GLN 150 CO 0.04 -0.10 -0.16 -2.00 -1.32 0.00 0.00 175.29 171.75 1irp s GLU 151 N -3.53 2.42 0.32 9.60 2.12 -1.26 -1.50 118.70 126.86 1irp s GLU 151 Ca 0.03 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1irp s GLU 151 Cb 0.05 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1irp s GLU 151 CO -0.08 -0.13 0.00 -0.25 -0.54 0.00 0.00 175.26 174.26 1irp n ASP 152 N 4.41 -1.41 0.00 -1.70 9.92 -1.26 -5.00 116.55 121.50 1irp n ASP 152 Ca -0.19 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 1irp n ASP 152 Cb 0.51 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 1irp n ASP 152 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49