#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 -2.40 -2.25 3.17 3.00 -1.19 -4.83 116.66 112.15 1irp n ARG 2 Ca 0.00 2.07 -0.40 0.00 -0.00 0.00 0.00 57.85 59.52 1irp n ARG 2 Cb 0.00 -5.03 -0.03 0.00 0.00 0.00 0.00 32.46 27.40 1irp n ARG 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1irp s PRO 3 N -2.45 2.97 -0.18 -0.14 0.04 -1.26 -4.43 135.00 129.55 1irp s PRO 3 Ca 0.24 0.40 -0.04 0.00 0.04 0.00 0.00 61.00 61.64 1irp s PRO 3 Cb -0.06 -4.26 0.08 0.00 0.04 0.00 0.00 34.50 30.31 1irp s PRO 3 CO 0.77 -2.34 0.21 -1.54 0.04 0.00 0.00 177.00 174.14 1irp s SER 4 N 5.99 1.31 0.00 6.66 1.04 -1.26 -4.78 113.70 122.66 1irp s SER 4 Ca 0.56 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1irp s SER 4 Cb -0.12 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1irp s SER 4 CO 0.21 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1irp n GLY 5 N 5.32 1.66 3.13 7.32 0.00 -1.26 -4.65 105.19 116.71 1irp n GLY 5 Ca -0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1irp n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1irp s ARG 6 N 1.62 0.61 0.00 1.61 0.52 -1.26 -5.01 118.95 117.04 1irp s ARG 6 Ca 0.00 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 1irp s ARG 6 Cb 0.00 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.71 1irp s ARG 6 CO 0.00 -0.16 0.00 1.17 0.02 0.00 0.00 175.30 176.33 1irp n LYS 7 N 0.73 0.00 -3.18 3.54 4.81 -1.26 -4.52 118.16 118.29 1irp n LYS 7 Ca -0.19 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.27 1irp n LYS 7 Cb 0.59 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.62 1irp n LYS 7 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1irp s SER 8 N 0.00 -1.19 -0.61 3.14 0.01 -1.26 -5.13 113.70 108.66 1irp s SER 8 Ca 0.00 0.36 -0.17 0.00 1.31 0.00 0.00 55.95 57.45 1irp s SER 8 Cb 0.00 1.91 0.14 0.00 0.21 0.00 0.00 66.02 68.28 1irp s SER 8 CO 0.00 -0.29 0.63 -0.44 0.41 0.00 0.00 173.24 173.54 1irp s SER 9 N 2.79 6.29 0.69 2.44 0.01 -1.26 -5.00 113.70 119.66 1irp s SER 9 Ca 0.14 -1.83 -0.11 0.00 1.31 0.00 0.00 55.95 55.46 1irp s SER 9 Cb -0.12 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1irp s SER 9 CO -0.24 -0.90 1.06 -1.59 0.41 0.00 0.00 173.24 171.98 1irp s LYS 10 N 1.75 2.99 -0.47 12.44 -2.85 -1.26 -4.93 119.74 127.40 1irp s LYS 10 Ca 0.09 0.90 -0.28 0.00 -1.00 0.00 0.00 55.97 55.68 1irp s LYS 10 Cb -0.24 -2.00 -0.01 0.00 -2.06 0.00 0.00 37.83 33.52 1irp s LYS 10 CO 0.02 -1.05 1.68 -1.64 0.10 0.00 0.00 175.35 174.46 1irp s MET 11 N -5.08 3.15 -1.32 1.78 -1.94 -1.26 -4.88 119.30 109.75 1irp s MET 11 Ca 0.58 0.91 -0.17 0.00 -1.71 0.00 0.00 55.69 55.30 1irp s MET 11 Cb -0.14 -4.21 0.07 0.00 2.01 0.00 0.00 34.83 32.56 1irp s MET 11 CO 0.55 -2.10 1.80 0.94 -0.01 0.00 0.00 175.02 176.20 1irp n GLN 12 N 8.65 3.16 -2.53 2.03 -0.06 -1.26 -4.96 117.38 122.42 1irp n GLN 12 Ca 0.19 -3.22 -0.42 0.00 -2.00 0.00 0.00 57.00 51.55 1irp n GLN 12 Cb 0.49 -3.42 -0.03 0.00 -4.06 0.00 0.00 30.24 23.23 1irp n GLN 12 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1irp s ALA 13 N 3.78 3.48 0.06 1.69 0.00 -1.26 -2.23 121.76 127.28 1irp s ALA 13 Ca 0.52 0.53 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1irp s ALA 13 Cb 0.05 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1irp s ALA 13 CO 0.04 -0.75 -0.05 0.12 0.00 0.00 0.00 175.76 175.13 1irp s PHE 14 N 2.24 0.64 -0.03 0.00 2.19 0.39 -2.40 117.98 121.02 1irp s PHE 14 Ca 0.53 -0.83 0.02 0.00 0.33 0.00 0.00 56.93 56.98 1irp s PHE 14 Cb -0.22 -0.41 0.01 0.00 -1.31 0.00 0.00 43.02 41.09 1irp s PHE 14 CO 0.20 -0.22 -0.08 1.03 1.83 0.00 0.00 175.22 177.99 1irp s ARG 15 N -3.10 0.90 -0.26 10.12 0.52 0.05 -0.95 118.95 126.23 1irp s ARG 15 Ca 0.02 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 1irp s ARG 15 Cb 0.01 -0.85 0.04 0.00 0.52 0.00 0.00 34.95 34.68 1irp s ARG 15 CO -0.05 0.06 -0.08 0.96 0.02 0.00 0.00 175.30 176.22 1irp s ILE 16 N 0.34 2.59 0.17 1.52 -4.36 -1.26 -1.98 121.20 118.21 1irp s ILE 16 Ca -0.05 -1.28 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 1irp s ILE 16 Cb -0.10 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.21 1irp s ILE 16 CO 0.00 0.10 0.13 -2.67 0.24 0.00 0.00 174.94 172.75 1irp n TRP 17 N 4.58 -0.33 -3.51 1.37 4.27 -0.86 -1.95 117.44 121.01 1irp n TRP 17 Ca -0.16 -1.37 -0.13 0.00 -3.89 0.00 0.00 57.50 51.96 1irp n TRP 17 Cb 0.45 0.12 -0.04 0.00 -1.36 0.00 0.00 31.31 30.49 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 -2.16 -0.49 0.29 -0.67 -4.77 0.11 -0.25 116.67 108.73 1irp s ASP 18 Ca 0.18 0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.50 1irp s ASP 18 Cb 0.01 0.54 0.00 0.00 -1.09 0.00 0.00 42.92 42.38 1irp s ASP 18 CO 0.13 -0.84 0.00 0.52 0.70 0.00 0.00 175.17 175.68 1irp n VAL 19 N -0.01 0.00 0.00 2.11 0.31 -1.26 -1.99 118.33 117.49 1irp n VAL 19 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1irp n VAL 19 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 1irp n VAL 19 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1irp n ASN 20 N 5.70 0.00 -2.71 4.52 5.15 -1.26 -5.00 115.26 121.67 1irp n ASN 20 Ca 0.00 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.92 1irp n ASN 20 Cb 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.33 1irp n ASN 20 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1irp n GLN 21 N -0.01 1.30 -3.97 1.20 6.02 -1.22 -5.11 117.38 115.59 1irp n GLN 21 Ca 0.00 -2.52 -0.09 0.00 -0.01 0.00 0.00 57.00 54.37 1irp n GLN 21 Cb 0.00 -0.66 -0.11 0.00 1.02 0.00 0.00 30.24 30.48 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 -1.69 0.28 0.03 -1.09 1.02 -0.84 -4.75 119.74 112.70 1irp s LYS 22 Ca 0.23 -0.54 -0.06 0.00 0.02 0.00 0.00 55.97 55.61 1irp s LYS 22 Cb 0.41 0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.82 1irp s LYS 22 CO -0.04 -0.05 0.12 0.95 -0.92 0.00 0.00 175.35 175.41 1irp s THR 23 N -1.30 0.11 -0.61 2.17 -4.23 0.88 -0.71 115.64 111.95 1irp s THR 23 Ca -0.14 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1irp s THR 23 Cb -0.09 -0.73 0.16 0.00 1.34 0.00 0.00 72.50 73.18 1irp s THR 23 CO -0.01 -0.52 0.42 -0.36 -0.54 0.00 0.00 174.62 173.61 1irp s PHE 24 N -2.19 3.39 0.24 3.99 0.08 -0.82 -0.76 117.98 121.91 1irp s PHE 24 Ca -0.08 -2.76 0.10 0.00 0.12 0.00 0.00 56.93 54.30 1irp s PHE 24 Cb -0.03 -3.16 -0.05 0.00 -0.57 0.00 0.00 43.02 39.21 1irp s PHE 24 CO -0.02 -0.83 -0.17 1.52 -0.10 0.00 0.00 175.22 175.61 1irp s TYR 25 N -0.08 2.01 0.66 0.36 1.13 -1.23 -4.76 117.35 115.44 1irp s TYR 25 Ca 0.17 -0.46 0.01 0.00 -1.41 0.00 0.00 57.07 55.39 1irp s TYR 25 Cb -0.21 -0.90 0.10 0.00 -1.10 0.00 0.00 41.96 39.85 1irp s TYR 25 CO -0.03 0.54 0.92 -0.48 -2.51 0.00 0.00 175.55 173.98 1irp s LEU 26 N -3.42 3.06 0.00 -3.49 -0.00 -1.22 -0.71 118.68 112.91 1irp s LEU 26 Ca 0.26 -0.38 0.00 0.00 -0.00 0.00 0.00 54.13 54.01 1irp s LEU 26 Cb -0.03 -2.09 0.00 0.00 -0.00 0.00 0.00 46.19 44.07 1irp s LEU 26 CO 0.11 -1.63 0.00 0.54 -0.00 0.00 0.00 176.35 175.37 1irp n ARG 27 N -2.64 0.00 -3.64 1.48 1.74 -1.08 -4.53 116.66 107.99 1irp n ARG 27 Ca 0.14 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.03 1irp n ARG 27 Cb 0.61 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.88 1irp n ARG 27 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1irp s ASN 28 N -2.01 1.10 0.00 0.55 3.84 -1.26 -4.93 114.94 112.23 1irp s ASN 28 Ca 0.00 0.10 0.00 0.00 0.21 0.00 0.00 52.86 53.17 1irp s ASN 28 Cb 0.00 0.13 0.00 0.00 -0.55 0.00 0.00 41.25 40.83 1irp s ASN 28 CO 0.00 -0.27 0.00 -3.20 -2.79 0.00 0.00 177.10 170.84 1irp n ASN 29 N 5.31 0.00 -3.89 -4.21 2.85 -1.26 -4.94 115.26 109.12 1irp n ASN 29 Ca -0.05 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.33 1irp n ASN 29 Cb 0.50 -0.32 -0.09 0.00 1.24 0.00 0.00 39.78 41.11 1irp n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1irp s GLN 30 N 0.00 0.64 0.16 1.20 -0.21 -1.26 -2.51 119.66 117.69 1irp s GLN 30 Ca 0.00 -0.70 -0.10 0.00 0.02 0.00 0.00 55.36 54.58 1irp s GLN 30 Cb 0.00 0.26 -0.07 0.00 1.00 0.00 0.00 33.01 34.20 1irp s GLN 30 CO 0.00 -0.17 0.49 -0.51 -2.12 0.00 0.00 175.29 172.97 1irp s LEU 31 N -2.12 4.27 0.54 2.90 1.02 -1.26 -2.63 118.68 121.39 1irp s LEU 31 Ca -0.05 0.87 0.04 0.00 0.02 0.00 0.00 54.13 55.01 1irp s LEU 31 Cb -0.01 -3.36 0.03 0.00 0.02 0.00 0.00 46.19 42.86 1irp s LEU 31 CO -0.04 0.05 0.27 -0.69 0.02 0.00 0.00 176.35 175.95 1irp s VAL 32 N -1.61 1.42 0.03 -1.59 1.01 0.11 -1.23 120.40 118.54 1irp s VAL 32 Ca 0.41 -1.67 0.08 0.00 0.00 0.00 0.00 61.98 60.80 1irp s VAL 32 Cb -0.13 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1irp s VAL 32 CO 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 175.10 175.06 1irp s ALA 33 N -2.82 2.05 0.00 5.51 0.00 -0.04 -3.47 121.76 122.98 1irp s ALA 33 Ca 0.23 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1irp s ALA 33 Cb -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1irp s ALA 33 CO 0.14 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.80 1irp n GLY 34 N 2.02 1.33 3.19 0.00 0.00 0.06 -3.77 105.19 108.00 1irp n GLY 34 Ca -0.17 0.27 0.02 0.00 0.00 0.00 0.00 46.02 46.15 1irp n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1irp s TYR 35 N 0.00 -1.77 -0.35 1.61 2.02 -1.24 -0.08 117.35 117.53 1irp s TYR 35 Ca 0.00 0.52 0.27 0.00 -0.37 0.00 0.00 57.07 57.49 1irp s TYR 35 Cb 0.00 0.32 0.90 0.00 -0.40 0.00 0.00 41.96 42.78 1irp s TYR 35 CO 0.00 -1.15 1.78 1.25 -1.57 0.00 0.00 175.55 175.87 1irp h LEU 36 N 7.31 0.00 0.00 -1.29 6.46 -1.56 -3.44 115.31 122.78 1irp h LEU 36 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1irp h LEU 36 Cb 1.18 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1irp h LEU 36 CO 0.11 0.00 0.00 1.67 -0.62 0.00 0.00 178.44 179.60 1irp n GLN 37 N -2.72 0.00 0.00 1.25 0.00 -1.26 -5.03 117.38 109.62 1irp n GLN 37 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 1irp n GLN 37 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.61 1irp n GLN 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1irp n GLY 38 N -0.34 0.09 3.56 1.69 0.00 -1.26 -5.10 105.19 103.82 1irp n GLY 38 Ca 0.00 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 2.77 0.00 1.61 0.04 -1.26 -4.62 135.00 131.54 1irp s PRO 39 Ca 0.00 0.73 0.01 0.00 0.04 0.00 0.00 61.00 61.78 1irp s PRO 39 Cb 0.00 -4.34 -0.01 0.00 0.04 0.00 0.00 34.50 30.19 1irp s PRO 39 CO 0.00 -2.56 0.09 0.27 0.04 0.00 0.00 177.00 174.85 1irp n ASN 40 N 12.21 0.16 -3.16 6.66 0.23 -1.26 -5.06 115.26 125.03 1irp n ASN 40 Ca 0.20 -0.58 -0.14 0.00 -0.53 0.00 0.00 54.58 53.53 1irp n ASN 40 Cb 0.51 0.89 0.07 0.00 -2.08 0.00 0.00 39.78 39.17 1irp n ASN 40 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1irp n VAL 41 N -0.91 -7.86 0.04 3.53 0.31 -1.17 -4.86 118.33 107.41 1irp n VAL 41 Ca 0.00 -1.06 0.00 0.00 -0.01 0.00 0.00 64.34 63.27 1irp n VAL 41 Cb 0.02 -5.92 0.00 0.00 -0.91 0.00 0.00 33.84 27.03 1irp n VAL 41 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1irp n ASN 42 N -3.08 -0.73 -0.08 4.52 2.85 -1.26 -4.96 115.26 112.53 1irp n ASN 42 Ca -0.12 0.22 -0.13 0.00 -0.11 0.00 0.00 54.58 54.44 1irp n ASN 42 Cb 0.62 0.93 -0.10 0.00 1.24 0.00 0.00 39.78 42.48 1irp n ASN 42 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1irp h LEU 43 N 0.00 0.00 -8.16 1.20 3.38 -1.89 -3.42 115.31 106.42 1irp h LEU 43 Ca 0.00 -0.65 -0.51 0.00 0.09 0.00 0.00 57.88 56.81 1irp h LEU 43 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1irp h LEU 43 CO 0.00 1.04 1.27 -1.61 0.09 0.00 0.00 178.44 179.23 1irp s GLU 44 N -2.16 3.28 0.00 1.13 0.41 -1.26 -3.40 118.70 116.70 1irp s GLU 44 Ca -0.19 -0.83 0.00 0.00 -0.41 0.00 0.00 54.97 53.54 1irp s GLU 44 Cb 0.00 -5.21 0.00 0.00 -1.78 0.00 0.00 34.13 27.14 1irp s GLU 44 CO 0.53 -2.53 0.00 -1.91 -0.49 0.00 0.00 175.26 170.86 1irp n GLU 45 N 8.91 0.00 -3.76 1.61 0.00 -1.26 -3.04 120.64 123.10 1irp n GLU 45 Ca 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.37 1irp n GLU 45 Cb 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.83 1irp n GLU 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1irp s LYS 46 N 3.83 0.39 0.42 5.31 -2.85 -1.26 -4.97 119.74 120.60 1irp s LYS 46 Ca 0.00 0.48 -0.04 0.00 -1.00 0.00 0.00 55.97 55.41 1irp s LYS 46 Cb 0.00 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1irp s LYS 46 CO 0.00 -0.05 0.69 -1.50 0.10 0.00 0.00 175.35 174.59 1irp s ILE 47 N 0.25 4.97 -0.12 3.79 2.07 -0.13 -1.98 121.20 130.05 1irp s ILE 47 Ca -0.01 -0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 1irp s ILE 47 Cb -0.03 -3.85 -0.01 0.00 0.13 0.00 0.00 42.46 38.70 1irp s ILE 47 CO -0.00 -0.71 -0.17 -0.62 -1.91 0.00 0.00 174.94 171.53 1irp s ASP 48 N -3.98 3.71 -0.30 4.50 2.15 -0.01 -0.46 116.67 122.29 1irp s ASP 48 Ca 0.45 -0.40 -0.07 0.00 0.43 0.00 0.00 52.55 52.95 1irp s ASP 48 Cb -0.10 -1.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.98 1irp s ASP 48 CO 0.40 0.16 0.09 -0.69 -0.17 0.00 0.00 175.17 174.97 1irp s VAL 49 N 0.34 4.05 -0.35 1.11 1.01 -0.95 -1.17 120.40 124.46 1irp s VAL 49 Ca -0.14 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1irp s VAL 49 Cb -0.17 -3.10 0.10 0.00 0.00 0.00 0.00 36.38 33.22 1irp s VAL 49 CO 0.07 0.06 0.09 -0.69 0.00 0.00 0.00 175.10 174.62 1irp s VAL 50 N 1.51 1.82 0.31 2.92 1.01 -0.70 -4.76 120.40 122.52 1irp s VAL 50 Ca 0.03 -2.12 -0.29 0.00 0.00 0.00 0.00 61.98 59.60 1irp s VAL 50 Cb -0.17 -2.34 -0.12 0.00 0.00 0.00 0.00 36.38 33.74 1irp s VAL 50 CO 0.03 -0.65 1.37 -2.65 0.00 0.00 0.00 175.10 173.20 1irp n PRO 51 N 4.34 2.21 -0.09 2.72 -0.02 -1.26 -0.99 135.00 141.91 1irp n PRO 51 Ca 0.02 0.78 -0.16 0.00 -2.02 0.00 0.00 63.50 62.12 1irp n PRO 51 Cb 0.41 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 1irp n PRO 51 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1irp h ILE 52 N 2.78 1.03 -4.41 4.25 2.10 -1.41 -3.42 117.51 118.43 1irp h ILE 52 Ca -0.46 -2.02 -0.29 0.00 1.08 0.00 0.00 64.86 63.16 1irp h ILE 52 Cb 1.27 2.19 -0.11 0.00 -1.09 0.00 0.00 36.82 39.08 1irp h ILE 52 CO 0.68 0.35 -0.38 -1.61 -1.08 0.00 0.00 178.15 176.10 1irp s GLU 53 N -2.25 1.63 0.00 2.19 0.41 -1.25 -1.29 118.70 118.14 1irp s GLU 53 Ca -0.22 -1.73 -0.01 0.00 -0.41 0.00 0.00 54.97 52.60 1irp s GLU 53 Cb 0.02 0.37 -0.04 0.00 -1.78 0.00 0.00 34.13 32.70 1irp s GLU 53 CO 0.54 -0.62 0.95 -2.30 -0.49 0.00 0.00 175.26 173.34 1irp n PRO 54 N -0.48 0.42 0.02 0.39 -0.02 -1.26 -3.56 135.00 130.51 1irp n PRO 54 Ca 0.03 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1irp n PRO 54 Cb 0.63 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1irp n PRO 54 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1irp n HIS 55 N 2.31 -1.93 -2.70 6.00 -0.00 -1.26 -5.17 115.22 112.47 1irp n HIS 55 Ca 0.06 0.17 -0.21 0.00 0.46 0.00 0.00 57.72 58.20 1irp n HIS 55 Cb 0.20 0.71 0.03 0.00 -0.12 0.00 0.00 29.99 30.81 1irp n HIS 55 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1irp s ALA 56 N -2.00 3.96 0.15 1.57 0.00 -1.23 -3.76 121.76 120.44 1irp s ALA 56 Ca 0.00 -1.35 -0.21 0.00 0.00 0.00 0.00 51.96 50.40 1irp s ALA 56 Cb 0.00 -2.03 0.06 0.00 0.00 0.00 0.00 23.12 21.15 1irp s ALA 56 CO 0.00 -0.68 0.54 -0.48 0.00 0.00 0.00 175.76 175.14 1irp s LEU 57 N -4.71 -0.26 -0.04 0.00 2.34 0.02 -1.09 118.68 114.95 1irp s LEU 57 Ca 0.57 -0.11 -0.12 0.00 0.06 0.00 0.00 54.13 54.52 1irp s LEU 57 Cb -0.10 2.36 -0.05 0.00 -0.56 0.00 0.00 46.19 47.84 1irp s LEU 57 CO 0.38 -0.94 0.32 -0.36 -1.06 0.00 0.00 176.35 174.69 1irp s PHE 58 N -3.77 3.69 0.50 3.48 0.08 -0.16 -1.48 117.98 120.31 1irp s PHE 58 Ca 0.02 0.84 0.04 0.00 0.12 0.00 0.00 56.93 57.95 1irp s PHE 58 Cb -0.00 -2.17 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 1irp s PHE 58 CO -0.12 0.68 0.20 -0.51 -0.10 0.00 0.00 175.22 175.36 1irp s LEU 59 N -1.07 2.64 0.33 -0.37 1.02 -0.93 -1.72 118.68 118.57 1irp s LEU 59 Ca 0.21 -1.37 -0.05 0.00 0.02 0.00 0.00 54.13 52.94 1irp s LEU 59 Cb -0.15 -1.06 0.00 0.00 0.02 0.00 0.00 46.19 45.00 1irp s LEU 59 CO 0.10 -0.88 0.48 -0.83 0.02 0.00 0.00 176.35 175.25 1irp s GLY 60 N -4.04 1.26 -0.01 -3.19 0.00 -0.32 -1.33 107.32 99.69 1irp s GLY 60 Ca 0.25 -1.37 0.04 0.00 0.00 0.00 0.00 44.72 43.64 1irp s GLY 60 CO 0.15 -0.91 -0.14 -0.42 0.00 0.00 0.00 173.10 171.78 1irp s ILE 61 N -3.20 1.10 0.00 0.90 -1.09 -0.14 -0.83 121.20 117.94 1irp s ILE 61 Ca 0.29 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 1irp s ILE 61 Cb -0.00 -0.92 0.00 0.00 -1.58 0.00 0.00 42.46 39.96 1irp s ILE 61 CO 0.18 0.31 0.00 1.57 -1.23 0.00 0.00 174.94 175.77 1irp n HIS 62 N 2.76 0.00 -2.13 3.97 -0.00 -0.84 -2.11 115.22 116.88 1irp n HIS 62 Ca -0.14 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.62 1irp n HIS 62 Cb 0.55 0.03 -0.00 0.00 -0.12 0.00 0.00 29.99 30.45 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 0.00 4.88 2.92 1.57 0.00 -1.26 -4.55 105.19 108.75 1irp n GLY 63 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 2.53 0.30 0.10 -0.02 0.00 -1.26 -4.92 105.19 101.92 1irp n GLY 64 Ca 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 1irp n GLY 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1irp n LYS 65 N -1.20 0.67 -3.75 1.61 3.00 -1.25 -3.19 118.16 114.05 1irp n LYS 65 Ca 0.00 0.29 -0.37 0.00 -0.00 0.00 0.00 58.31 58.23 1irp n LYS 65 Cb 0.18 -1.77 -0.06 0.00 0.00 0.00 0.00 35.03 33.38 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 -2.59 3.60 -0.46 1.64 -1.94 -0.89 -2.03 119.30 116.63 1irp s MET 66 Ca -0.10 0.04 -0.17 0.00 -1.71 0.00 0.00 55.69 53.75 1irp s MET 66 Cb 0.08 -3.19 0.05 0.00 2.01 0.00 0.00 34.83 33.77 1irp s MET 66 CO 0.81 0.74 0.47 0.00 -0.01 0.00 0.00 175.02 177.03 1irp s LEU 68 N 2.09 3.85 0.29 0.00 1.98 -0.44 -1.42 118.68 125.03 1irp s LEU 68 Ca 0.10 -0.01 0.04 0.00 -2.89 0.00 0.00 54.13 51.37 1irp s LEU 68 Cb -0.20 -3.10 -0.03 0.00 0.66 0.00 0.00 46.19 43.51 1irp s LEU 68 CO 0.11 -1.25 0.20 -0.94 -1.89 0.00 0.00 176.35 172.58 1irp s SER 69 N 2.66 1.22 -0.27 3.68 1.04 -0.68 -2.20 113.70 119.15 1irp s SER 69 Ca 0.38 -1.60 -0.05 0.00 0.48 0.00 0.00 55.95 55.16 1irp s SER 69 Cb -0.10 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1irp s SER 69 CO 0.24 -0.95 0.02 0.00 0.98 0.00 0.00 173.24 173.53 1irp s VAL 71 N 1.43 2.39 -0.45 0.00 0.11 -0.72 -4.72 120.40 118.43 1irp s VAL 71 Ca 0.02 -1.46 -0.07 0.00 -2.93 0.00 0.00 61.98 57.54 1irp s VAL 71 Cb -0.17 -2.00 0.12 0.00 -1.53 0.00 0.00 36.38 32.80 1irp s VAL 71 CO -0.00 0.26 0.29 -0.75 -3.33 0.00 0.00 175.10 171.57 1irp s LYS 72 N -1.60 2.29 0.00 1.54 2.20 -1.26 -1.82 119.74 121.09 1irp s LYS 72 Ca 0.14 -1.81 0.00 0.00 -0.36 0.00 0.00 55.97 53.94 1irp s LYS 72 Cb -0.10 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 1irp s LYS 72 CO 0.05 -1.15 0.00 -1.13 -0.36 0.00 0.00 175.35 172.76 1irp n SER 73 N 4.75 0.00 -3.69 1.43 3.41 -1.21 -4.67 113.62 113.63 1irp n SER 73 Ca -0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.14 1irp n SER 73 Cb 0.41 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1irp n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1irp n GLY 74 N 3.57 4.71 4.55 5.00 0.00 -1.26 -4.68 105.19 117.08 1irp n GLY 74 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1irp n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1irp n ASP 75 N 3.96 0.00 -4.60 1.61 2.03 -1.26 -4.98 116.55 113.30 1irp n ASP 75 Ca 0.52 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.40 1irp n ASP 75 Cb 0.33 -0.79 -0.02 0.00 -0.72 0.00 0.00 41.12 39.91 1irp n ASP 75 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1irp s GLU 76 N 0.00 3.62 -0.52 -0.67 4.04 -1.26 -4.99 118.70 118.92 1irp s GLU 76 Ca 0.00 0.67 -0.25 0.00 0.04 0.00 0.00 54.97 55.43 1irp s GLU 76 Cb 0.00 -3.97 0.04 0.00 0.02 0.00 0.00 34.13 30.21 1irp s GLU 76 CO 0.00 -1.51 0.96 0.99 -1.84 0.00 0.00 175.26 173.85 1irp s THR 77 N 4.97 4.39 0.07 1.83 2.01 -1.26 -3.32 115.64 124.33 1irp s THR 77 Ca 0.53 0.50 -0.02 0.00 0.31 0.00 0.00 61.69 63.01 1irp s THR 77 Cb -0.10 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 1irp s THR 77 CO 0.31 -1.03 0.02 -0.13 -0.69 0.00 0.00 174.62 173.10 1irp s ARG 78 N 3.97 0.72 -0.14 4.92 0.52 -0.76 -4.51 118.95 123.66 1irp s ARG 78 Ca 0.34 -1.24 -0.29 0.00 -0.52 0.00 0.00 55.73 54.01 1irp s ARG 78 Cb -0.11 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.55 1irp s ARG 78 CO 0.22 -0.17 1.73 -1.17 0.02 0.00 0.00 175.30 175.94 1irp s LEU 79 N -2.94 4.04 0.15 2.53 1.98 -1.26 -1.76 118.68 121.41 1irp s LEU 79 Ca 0.11 1.96 -0.10 0.00 -2.89 0.00 0.00 54.13 53.21 1irp s LEU 79 Cb 0.07 -3.53 -0.00 0.00 0.66 0.00 0.00 46.19 43.39 1irp s LEU 79 CO -0.07 -1.21 0.30 -1.10 -1.89 0.00 0.00 176.35 172.38 1irp s GLN 80 N 4.64 1.13 -0.48 1.98 -0.21 -0.55 -4.52 119.66 121.64 1irp s GLN 80 Ca 0.77 -1.09 -0.04 0.00 0.02 0.00 0.00 55.36 55.02 1irp s GLN 80 Cb -0.30 0.39 0.13 0.00 1.00 0.00 0.00 33.01 34.22 1irp s GLN 80 CO 0.31 -0.42 0.30 -0.48 -2.12 0.00 0.00 175.29 172.89 1irp s LEU 81 N -2.94 5.38 -0.12 2.90 2.34 -1.04 -1.69 118.68 123.51 1irp s LEU 81 Ca 0.14 -2.22 -0.29 0.00 0.06 0.00 0.00 54.13 51.82 1irp s LEU 81 Cb 0.03 -1.88 -0.01 0.00 -0.56 0.00 0.00 46.19 43.77 1irp s LEU 81 CO -0.02 -0.53 1.01 -1.61 -1.06 0.00 0.00 176.35 174.14 1irp s GLU 82 N 0.88 4.40 -0.21 1.48 2.02 -0.51 -4.71 118.70 122.05 1irp s GLU 82 Ca 0.10 1.39 -0.29 0.00 0.02 0.00 0.00 54.97 56.19 1irp s GLU 82 Cb -0.23 -3.56 -0.01 0.00 0.10 0.00 0.00 34.13 30.44 1irp s GLU 82 CO -0.03 -0.36 1.28 0.00 0.02 0.00 0.00 175.26 176.16 1irp s ALA 83 N 2.17 3.57 -0.21 5.21 0.00 -1.26 -0.41 121.76 130.84 1irp s ALA 83 Ca 0.48 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 1irp s ALA 83 Cb -0.18 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 1irp s ALA 83 CO 0.16 -1.35 0.16 0.54 0.00 0.00 0.00 175.76 175.27 1irp s VAL 84 N 3.77 5.38 -0.46 0.00 0.11 -0.86 -4.91 120.40 123.42 1irp s VAL 84 Ca 0.55 0.23 -0.12 0.00 -2.93 0.00 0.00 61.98 59.71 1irp s VAL 84 Cb -0.20 -3.50 0.09 0.00 -1.53 0.00 0.00 36.38 31.24 1irp s VAL 84 CO 0.17 0.40 0.35 0.54 -3.33 0.00 0.00 175.10 173.24 1irp s ASN 85 N 0.60 5.91 -0.10 3.54 2.20 -1.26 -4.79 114.94 121.05 1irp s ASN 85 Ca 0.09 -1.53 -0.04 0.00 -0.94 0.00 0.00 52.86 50.44 1irp s ASN 85 Cb -0.12 -2.10 0.05 0.00 -2.00 0.00 0.00 41.25 37.08 1irp s ASN 85 CO 0.01 -0.64 0.20 -0.51 -2.94 0.00 0.00 177.10 173.21 1irp s ILE 86 N 1.52 -0.22 -0.04 0.54 1.10 -1.26 -5.04 121.20 117.80 1irp s ILE 86 Ca 0.04 0.26 0.16 0.00 -0.51 0.00 0.00 60.65 60.60 1irp s ILE 86 Cb -0.25 -0.34 -0.25 0.00 0.15 0.00 0.00 42.46 41.77 1irp s ILE 86 CO 0.04 0.11 0.32 1.07 -2.11 0.00 0.00 174.94 174.36 1irp n THR 87 N 4.89 0.15 0.03 4.00 5.66 -1.26 -4.73 114.28 123.02 1irp n THR 87 Ca -0.13 -0.42 -0.13 0.00 -3.05 0.00 0.00 64.05 60.32 1irp n THR 87 Cb 0.51 0.02 -0.09 0.00 -1.55 0.00 0.00 70.33 69.22 1irp n THR 87 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1irp h ASP 88 N 0.00 -0.07 -5.53 1.09 5.19 -2.06 -3.49 116.42 111.55 1irp h ASP 88 Ca -0.06 -0.35 -0.07 0.00 -0.62 0.00 0.00 57.03 55.93 1irp h ASP 88 Cb 0.92 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.45 1irp h ASP 88 CO 0.00 0.32 -0.38 0.18 -3.12 0.00 0.00 179.24 176.25 1irp n LEU 89 N -4.94 -6.57 0.00 1.55 4.77 -1.26 -5.07 117.00 105.48 1irp n LEU 89 Ca -0.08 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1irp n LEU 89 Cb 0.22 -3.10 0.00 0.00 -2.33 0.00 0.00 43.42 38.21 1irp n LEU 89 CO 0.33 -1.43 0.00 -1.54 -1.33 0.00 0.00 177.39 173.42 1irp n SER 90 N -1.13 0.00 -3.67 -1.43 3.41 -1.26 -5.06 113.62 104.48 1irp n SER 90 Ca 0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.35 1irp n SER 90 Cb 0.51 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.30 1irp n SER 90 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1irp s GLU 91 N 0.94 0.38 -1.17 4.33 2.12 -1.26 -4.96 118.70 119.08 1irp s GLU 91 Ca 0.00 -0.35 -0.11 0.00 0.36 0.00 0.00 54.97 54.87 1irp s GLU 91 Cb 0.00 -1.89 0.22 0.00 0.26 0.00 0.00 34.13 32.72 1irp s GLU 91 CO 0.00 -0.72 1.34 -1.71 -0.54 0.00 0.00 175.26 173.63 1irp n ASN 92 N 5.14 5.40 0.00 -1.70 2.85 -1.26 -4.91 115.26 120.78 1irp n ASN 92 Ca -0.07 -3.03 0.00 0.00 -0.11 0.00 0.00 54.58 51.36 1irp n ASN 92 Cb 0.47 -1.47 0.00 0.00 1.24 0.00 0.00 39.78 40.02 1irp n ASN 92 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1irp n ARG 93 N 4.12 0.00 0.00 1.20 1.85 -1.26 -4.78 116.66 117.79 1irp n ARG 93 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 1irp n ARG 93 Cb 0.40 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.81 1irp n ARG 93 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1irp n LYS 94 N 0.00 0.00 -3.72 2.89 4.81 -0.41 -4.84 118.16 116.89 1irp n LYS 94 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1irp n LYS 94 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1irp n LYS 94 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1irp s GLN 95 N 0.00 0.65 -0.02 1.64 1.11 -1.26 -4.58 119.66 117.19 1irp s GLN 95 Ca 0.00 0.14 -0.14 0.00 0.01 0.00 0.00 55.36 55.37 1irp s GLN 95 Cb 0.00 0.30 0.02 0.00 -1.01 0.00 0.00 33.01 32.32 1irp s GLN 95 CO 0.00 -0.16 0.31 0.34 0.01 0.00 0.00 175.29 175.79 1irp s ASP 96 N -0.75 -0.19 0.09 5.90 -1.08 -1.26 -5.09 116.67 114.29 1irp s ASP 96 Ca -0.08 0.12 0.22 0.00 -0.52 0.00 0.00 52.55 52.28 1irp s ASP 96 Cb -0.04 0.33 -0.15 0.00 -1.46 0.00 0.00 42.92 41.61 1irp s ASP 96 CO 0.04 -0.42 0.78 0.29 0.52 0.00 0.00 175.17 176.38 1irp n LYS 97 N 1.39 0.63 -0.01 4.34 5.02 -1.26 -4.38 118.16 123.88 1irp n LYS 97 Ca -0.21 0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.07 1irp n LYS 97 Cb 0.56 -1.70 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 1irp n LYS 97 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1irp n ARG 98 N -2.54 3.29 -0.84 1.97 0.63 -1.21 -3.91 116.66 114.05 1irp n ARG 98 Ca -0.03 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1irp n ARG 98 Cb 0.60 -1.08 0.30 0.00 0.45 0.00 0.00 32.46 32.74 1irp n ARG 98 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1irp n PHE 99 N -2.07 1.87 -3.57 -0.14 3.72 -1.21 -3.82 117.46 112.24 1irp n PHE 99 Ca -0.04 -1.09 -0.41 0.00 -0.05 0.00 0.00 57.45 55.86 1irp n PHE 99 Cb 0.56 -0.55 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 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 -2.95 3.67 -0.23 4.37 0.00 -0.97 -4.34 121.76 121.31 1irp s ALA 100 Ca 0.51 -3.08 -0.27 0.00 0.00 0.00 0.00 51.96 49.11 1irp s ALA 100 Cb 0.41 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1irp s ALA 100 CO 0.11 -2.10 0.95 -0.06 0.00 0.00 0.00 175.76 174.67 1irp s PHE 101 N 0.38 3.34 -0.10 0.00 0.40 -0.55 -1.24 117.98 120.22 1irp s PHE 101 Ca 0.14 1.34 -0.25 0.00 -0.60 0.00 0.00 56.93 57.56 1irp s PHE 101 Cb -0.19 -3.18 -0.03 0.00 0.51 0.00 0.00 43.02 40.14 1irp s PHE 101 CO -0.04 -0.43 0.81 0.42 0.70 0.00 0.00 175.22 176.68 1irp s ILE 102 N 2.98 4.94 -0.68 0.64 1.01 0.51 -0.80 121.20 129.80 1irp s ILE 102 Ca 0.41 1.64 -0.10 0.00 0.00 0.00 0.00 60.65 62.60 1irp s ILE 102 Cb -0.15 -4.13 0.18 0.00 0.01 0.00 0.00 42.46 38.36 1irp s ILE 102 CO 0.07 0.13 0.57 -0.60 0.00 0.00 0.00 174.94 175.12 1irp s ARG 103 N 1.44 3.04 -0.04 2.79 3.00 -1.25 -2.12 118.95 125.81 1irp s ARG 103 Ca 0.40 -2.28 -0.09 0.00 -1.00 0.00 0.00 55.73 52.76 1irp s ARG 103 Cb -0.18 -4.13 -0.05 0.00 0.00 0.00 0.00 34.95 30.59 1irp s ARG 103 CO 0.17 -1.24 0.45 1.03 0.00 0.00 0.00 175.30 175.71 1irp h SER 104 N 7.80 -0.29 -3.76 -2.12 0.87 -1.90 -3.47 113.55 110.69 1irp h SER 104 Ca -0.03 0.01 0.22 0.00 -1.23 0.00 0.00 61.79 60.76 1irp h SER 104 Cb 1.03 0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 62.95 1irp h SER 104 CO 0.79 0.07 -0.73 -0.90 -0.53 0.00 0.00 176.83 175.53 1irp n ASP 105 N -4.46 -4.91 -2.76 6.23 5.68 -1.26 -5.00 116.55 110.07 1irp n ASP 105 Ca -0.04 0.84 -0.07 0.00 -0.50 0.00 0.00 54.79 55.01 1irp n ASP 105 Cb 0.13 -3.00 0.04 0.00 -1.14 0.00 0.00 41.12 37.15 1irp n ASP 105 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1irp n SER 106 N -3.47 -3.01 0.00 -1.12 7.64 -1.18 -5.03 113.62 107.45 1irp n SER 106 Ca -0.05 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.61 1irp n SER 106 Cb 0.42 1.80 0.00 0.00 -1.01 0.00 0.00 64.21 65.42 1irp n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1irp n GLY 107 N 1.93 -0.97 1.72 0.23 0.00 -1.26 -4.71 105.19 102.14 1irp n GLY 107 Ca 0.11 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.12 1irp n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1irp n PRO 108 N 0.00 1.26 -3.68 1.61 -0.04 -1.26 -4.78 135.00 128.10 1irp n PRO 108 Ca 0.00 -0.34 -0.13 0.00 -0.04 0.00 0.00 63.50 62.99 1irp n PRO 108 Cb 0.00 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.00 1irp n PRO 108 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1irp s THR 109 N 0.53 -0.00 0.12 0.52 -4.23 -1.26 -4.27 115.64 107.05 1irp s THR 109 Ca 0.23 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.76 1irp s THR 109 Cb 0.11 -0.78 -0.01 0.00 1.34 0.00 0.00 72.50 73.16 1irp s THR 109 CO 0.00 0.00 0.07 1.07 -0.54 0.00 0.00 174.62 175.22 1irp n THR 110 N 2.80 0.00 -4.41 3.99 5.66 0.12 -3.09 114.28 119.35 1irp n THR 110 Ca -0.14 -0.75 -0.20 0.00 -3.05 0.00 0.00 64.05 59.91 1irp n THR 110 Cb 0.56 0.32 -0.10 0.00 -1.55 0.00 0.00 70.33 69.56 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 -1.76 2.11 -0.32 1.09 1.04 -1.25 -1.53 113.70 113.08 1irp s SER 111 Ca 0.09 -1.35 0.01 0.00 0.48 0.00 0.00 55.95 55.18 1irp s SER 111 Cb 0.00 -0.03 0.08 0.00 0.10 0.00 0.00 66.02 66.18 1irp s SER 111 CO 0.07 -0.61 0.03 -0.36 0.98 0.00 0.00 173.24 173.35 1irp s PHE 112 N -3.38 3.51 -0.41 5.02 0.08 -0.85 -4.59 117.98 117.37 1irp s PHE 112 Ca 0.36 -2.51 0.03 0.00 0.12 0.00 0.00 56.93 54.92 1irp s PHE 112 Cb 0.08 -2.58 0.12 0.00 -0.57 0.00 0.00 43.02 40.07 1irp s PHE 112 CO 0.14 -0.91 0.16 -1.21 -0.10 0.00 0.00 175.22 173.31 1irp s GLU 113 N 1.06 1.40 0.36 0.44 2.02 -0.90 -1.92 118.70 121.16 1irp s GLU 113 Ca 0.02 -1.94 0.08 0.00 0.02 0.00 0.00 54.97 53.15 1irp s GLU 113 Cb -0.20 -2.76 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 1irp s GLU 113 CO -0.05 -1.05 0.15 0.45 0.02 0.00 0.00 175.26 174.77 1irp s SER 114 N 0.60 4.56 -1.11 -0.19 0.15 -0.43 -0.37 113.70 116.91 1irp s SER 114 Ca 0.14 -0.88 -0.21 0.00 0.70 0.00 0.00 55.95 55.69 1irp s SER 114 Cb -0.22 -0.63 0.05 0.00 -1.71 0.00 0.00 66.02 63.51 1irp s SER 114 CO -0.07 -0.37 1.59 0.00 1.20 0.00 0.00 173.24 175.59 1irp s ALA 115 N -2.49 2.81 -0.08 5.45 0.00 -0.37 -1.76 121.76 125.33 1irp s ALA 115 Ca 0.39 -2.42 -0.18 0.00 0.00 0.00 0.00 51.96 49.74 1irp s ALA 115 Cb -0.01 -4.58 -0.29 0.00 0.00 0.00 0.00 23.12 18.25 1irp s ALA 115 CO 0.22 -3.65 0.70 0.00 0.00 0.00 0.00 175.76 173.04 1irp h ALA 116 N 9.16 0.06 -2.32 0.00 0.00 -1.72 -2.57 119.26 121.87 1irp h ALA 116 Ca 0.28 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1irp h ALA 116 Cb 0.96 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1irp h ALA 116 CO 1.42 0.64 0.00 0.00 0.00 0.00 0.00 179.25 181.31 1irp n PRO 118 N -1.03 1.28 -2.62 0.00 -0.04 -1.26 -4.73 135.00 126.60 1irp n PRO 118 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1irp n PRO 118 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1irp n PRO 118 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1irp s GLY 119 N -0.95 1.56 -0.08 0.55 0.00 -1.26 -4.42 107.32 102.72 1irp s GLY 119 Ca 0.00 -2.68 0.04 0.00 0.00 0.00 0.00 44.72 42.08 1irp s GLY 119 CO 0.00 2.62 -0.20 0.86 0.00 0.00 0.00 173.10 176.38 1irp s TRP 120 N 4.26 2.59 -0.19 1.90 -0.00 -0.72 -4.93 118.94 121.86 1irp s TRP 120 Ca 0.49 -0.67 -0.15 0.00 -0.00 0.00 0.00 56.10 55.76 1irp s TRP 120 Cb 0.01 -1.68 0.05 0.00 -0.00 0.00 0.00 33.47 31.85 1irp s TRP 120 CO -0.01 -0.19 0.48 -0.59 -0.00 0.00 0.00 176.95 176.65 1irp s PHE 121 N -0.04 -0.58 0.00 5.86 -0.71 -0.08 -1.32 117.98 121.11 1irp s PHE 121 Ca -0.06 1.36 0.00 0.00 -1.04 0.00 0.00 56.93 57.19 1irp s PHE 121 Cb -0.15 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.90 1irp s PHE 121 CO 0.05 -0.29 0.00 -0.11 -1.34 0.00 0.00 175.22 173.52 1irp n LEU 122 N 3.23 0.00 0.00 -1.99 -0.00 -0.81 -1.74 117.00 115.69 1irp n LEU 122 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1irp n LEU 122 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1irp n LEU 122 CO 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.48 1irp s THR 124 N 2.11 0.13 1.01 0.00 2.01 -1.26 -2.01 115.64 117.62 1irp s THR 124 Ca 0.00 -1.08 -0.11 0.00 0.31 0.00 0.00 61.69 60.81 1irp s THR 124 Cb 0.00 -0.51 0.18 0.00 0.01 0.00 0.00 72.50 72.18 1irp s THR 124 CO 0.00 -0.59 0.99 0.00 -0.69 0.00 0.00 174.62 174.32 1irp n ALA 125 N 1.31 -1.75 0.13 7.40 0.00 -0.80 -0.75 120.51 126.04 1irp n ALA 125 Ca -0.22 -0.78 -0.23 0.00 0.00 0.00 0.00 53.44 52.21 1irp n ALA 125 Cb 0.56 -2.07 -0.15 0.00 0.00 0.00 0.00 19.45 17.79 1irp n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irp h MET 126 N -2.11 0.47 -6.16 0.00 -0.00 -1.70 -3.40 114.93 102.03 1irp h MET 126 Ca -0.49 -0.81 -0.50 0.00 -0.00 0.00 0.00 59.70 57.91 1irp h MET 126 Cb 1.29 0.30 -0.04 0.00 -0.00 0.00 0.00 31.60 33.16 1irp h MET 126 CO 0.43 1.38 -0.40 -2.00 -0.00 0.00 0.00 176.91 176.32 1irp s GLU 127 N -2.61 2.53 0.64 -0.10 2.56 -1.26 -4.75 118.70 115.71 1irp s GLU 127 Ca -0.09 -1.53 0.23 0.00 0.00 0.00 0.00 54.97 53.58 1irp s GLU 127 Cb 0.05 -2.36 1.19 0.00 2.00 0.00 0.00 34.13 35.01 1irp s GLU 127 CO 0.92 -0.15 1.66 0.00 -0.56 0.00 0.00 175.26 177.14 1irp h ALA 128 N 1.09 1.86 -2.08 6.30 0.00 -1.88 -3.11 119.26 121.45 1irp h ALA 128 Ca -0.42 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 53.92 1irp h ALA 128 Cb 1.26 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.67 1irp h ALA 128 CO 0.58 -0.72 -0.93 -0.25 0.00 0.00 0.00 179.25 177.93 1irp n ASP 129 N -3.06 1.70 -3.88 0.00 9.92 -1.26 -1.86 116.55 118.11 1irp n ASP 129 Ca 0.04 -3.05 -0.11 0.00 -0.53 0.00 0.00 54.79 51.14 1irp n ASP 129 Cb 0.70 -0.64 -0.12 0.00 -0.64 0.00 0.00 41.12 40.43 1irp n ASP 129 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1irp s GLN 130 N -1.97 0.27 0.85 -1.24 -0.21 -1.18 -5.02 119.66 111.17 1irp s GLN 130 Ca 0.39 -0.18 -0.10 0.00 0.02 0.00 0.00 55.36 55.48 1irp s GLN 130 Cb 0.20 0.11 0.15 0.00 1.00 0.00 0.00 33.01 34.48 1irp s GLN 130 CO -0.08 -0.05 1.18 -1.25 -2.12 0.00 0.00 175.29 172.97 1irp s PRO 131 N -0.69 1.24 0.41 2.91 0.04 -1.26 -0.87 135.00 136.79 1irp s PRO 131 Ca -0.08 -0.52 -0.22 0.00 0.04 0.00 0.00 61.00 60.23 1irp s PRO 131 Cb -0.05 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1irp s PRO 131 CO 0.00 -1.93 0.96 0.54 0.04 0.00 0.00 177.00 176.62 1irp s VAL 132 N -3.58 4.28 -0.25 -0.36 0.11 -0.37 -1.91 120.40 118.32 1irp s VAL 132 Ca 0.69 1.51 -0.20 0.00 -2.93 0.00 0.00 61.98 61.05 1irp s VAL 132 Cb -0.06 -3.67 0.07 0.00 -1.53 0.00 0.00 36.38 31.19 1irp s VAL 132 CO 0.49 -0.21 0.64 -0.55 -3.33 0.00 0.00 175.10 172.14 1irp s SER 133 N -2.03 -0.72 0.04 3.54 0.15 -0.85 -4.81 113.70 109.02 1irp s SER 133 Ca 0.60 1.32 0.08 0.00 0.70 0.00 0.00 55.95 58.65 1irp s SER 133 Cb -0.12 1.30 -0.03 0.00 -1.71 0.00 0.00 66.02 65.46 1irp s SER 133 CO 0.16 -0.23 -0.21 -0.76 1.20 0.00 0.00 173.24 173.40 1irp s LEU 134 N 0.69 2.43 0.00 3.45 1.43 -1.26 -1.46 118.68 123.95 1irp s LEU 134 Ca -0.03 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1irp s LEU 134 Cb -0.05 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.75 1irp s LEU 134 CO -0.04 0.26 0.00 0.41 0.23 0.00 0.00 176.35 177.21 1irp n THR 135 N 1.67 0.00 0.00 5.49 -1.04 -0.71 -4.81 114.28 114.88 1irp n THR 135 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1irp n THR 135 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1irp n THR 135 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1irp n ASN 136 N 0.00 0.00 -0.03 8.00 2.85 -1.21 -0.90 115.26 123.97 1irp n ASN 136 Ca 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.42 1irp n ASN 136 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1irp n ASN 136 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1irp n MET 137 N -0.80 0.14 -1.70 1.20 2.81 -1.26 -4.90 117.12 112.61 1irp n MET 137 Ca 0.00 0.04 -0.41 0.00 -1.81 0.00 0.00 57.70 55.53 1irp n MET 137 Cb 0.00 -0.99 -0.03 0.00 -0.71 0.00 0.00 33.22 31.49 1irp n MET 137 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1irp s PRO 138 N -2.12 2.83 -0.27 0.03 0.02 -1.26 -4.94 135.00 129.29 1irp s PRO 138 Ca -0.08 1.63 -0.02 0.00 0.02 0.00 0.00 61.00 62.54 1irp s PRO 138 Cb 0.02 -4.40 0.16 0.00 0.02 0.00 0.00 34.50 30.30 1irp s PRO 138 CO 0.13 -2.44 0.49 0.34 -0.33 0.00 0.00 177.00 175.18 1irp s ASP 139 N 8.97 -0.56 -0.97 2.53 -1.08 -1.26 -5.06 116.67 119.24 1irp s ASP 139 Ca 0.93 0.55 -0.01 0.00 -0.52 0.00 0.00 52.55 53.50 1irp s ASP 139 Cb -0.25 1.63 0.33 0.00 -1.46 0.00 0.00 42.92 43.17 1irp s ASP 139 CO 0.31 -0.28 1.85 1.21 0.52 0.00 0.00 175.17 178.78 1irp n GLU 140 N 5.40 4.68 -2.55 4.34 4.07 -1.26 -4.78 120.64 130.54 1irp n GLU 140 Ca -0.02 -4.38 -0.08 0.00 -0.06 0.00 0.00 57.16 52.62 1irp n GLU 140 Cb 0.51 -2.41 0.04 0.00 -0.06 0.00 0.00 31.44 29.52 1irp n GLU 140 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1irp n GLY 141 N -0.19 -0.05 0.81 8.31 0.00 -1.26 -5.03 105.19 107.77 1irp n GLY 141 Ca 0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.47 0.48 -3.99 1.61 3.14 -1.26 -5.01 118.33 110.83 1irp n VAL 142 Ca -0.09 -0.02 -0.32 0.00 -2.96 0.00 0.00 64.34 60.94 1irp n VAL 142 Cb 0.57 -1.61 -0.06 0.00 -1.06 0.00 0.00 33.84 31.69 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 -2.13 3.25 -0.72 1.45 -1.94 -1.26 -1.82 119.30 116.13 1irp s MET 143 Ca -0.08 -0.45 -0.16 0.00 -1.71 0.00 0.00 55.69 53.29 1irp s MET 143 Cb 0.03 -2.96 0.16 0.00 2.01 0.00 0.00 34.83 34.07 1irp s MET 143 CO 0.11 0.64 0.74 0.08 -0.01 0.00 0.00 175.02 176.57 1irp s VAL 144 N -1.34 5.24 -0.64 -6.03 1.01 0.07 -4.88 120.40 113.83 1irp s VAL 144 Ca 0.28 -1.82 0.03 0.00 0.00 0.00 0.00 61.98 60.48 1irp s VAL 144 Cb -0.12 -4.48 0.23 0.00 0.00 0.00 0.00 36.38 32.00 1irp s VAL 144 CO 0.20 -1.08 0.95 1.07 0.00 0.00 0.00 175.10 176.24 1irp n THR 145 N 4.80 0.97 -3.49 3.92 5.66 -1.26 -4.26 114.28 120.63 1irp n THR 145 Ca 0.04 -0.43 -0.27 0.00 -3.05 0.00 0.00 64.05 60.33 1irp n THR 145 Cb 0.45 -0.52 -0.10 0.00 -1.55 0.00 0.00 70.33 68.60 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 -1.39 1.18 0.04 1.09 -0.14 -1.17 -3.79 119.74 115.57 1irp s LYS 146 Ca 0.16 -2.33 0.02 0.00 -1.36 0.00 0.00 55.97 52.47 1irp s LYS 146 Cb 0.12 -1.78 -0.04 0.00 -1.68 0.00 0.00 37.83 34.45 1irp s LYS 146 CO 0.04 -1.37 0.03 -0.59 -0.76 0.00 0.00 175.35 172.70 1irp s PHE 147 N -0.20 3.10 -0.23 3.18 -0.12 -0.58 -4.71 117.98 118.42 1irp s PHE 147 Ca 0.31 0.07 -0.29 0.00 -0.05 0.00 0.00 56.93 56.97 1irp s PHE 147 Cb 0.02 -1.63 -0.01 0.00 -0.63 0.00 0.00 43.02 40.77 1irp s PHE 147 CO -0.19 0.49 1.40 0.71 -0.05 0.00 0.00 175.22 177.58 1irp s TYR 148 N -1.23 2.53 -0.79 3.49 2.02 0.65 -0.70 117.35 123.32 1irp s TYR 148 Ca 0.24 0.77 -0.15 0.00 -0.37 0.00 0.00 57.07 57.57 1irp s TYR 148 Cb -0.12 -3.83 0.20 0.00 -0.40 0.00 0.00 41.96 37.81 1irp s TYR 148 CO 0.16 -2.16 0.75 0.12 -1.57 0.00 0.00 175.55 172.85 1irp s PHE 149 N 4.36 3.62 0.02 2.71 5.36 -1.26 -2.03 117.98 130.76 1irp s PHE 149 Ca 0.61 -1.82 0.07 0.00 -0.96 0.00 0.00 56.93 54.83 1irp s PHE 149 Cb -0.21 -3.86 -0.02 0.00 -0.34 0.00 0.00 43.02 38.59 1irp s PHE 149 CO 0.23 -1.04 -0.20 -0.65 -1.46 0.00 0.00 175.22 172.10 1irp s GLN 150 N 0.63 1.45 -0.38 10.12 -0.21 -0.84 -5.00 119.66 125.43 1irp s GLN 150 Ca 0.17 -0.85 -0.25 0.00 0.02 0.00 0.00 55.36 54.45 1irp s GLN 150 Cb -0.13 -1.50 0.01 0.00 1.00 0.00 0.00 33.01 32.39 1irp s GLN 150 CO -0.07 0.39 0.86 -1.83 -2.12 0.00 0.00 175.29 172.53 1irp s GLU 151 N -0.92 3.76 0.42 2.91 -1.05 -1.26 -0.77 118.70 121.78 1irp s GLU 151 Ca 0.07 0.40 0.00 0.00 -0.15 0.00 0.00 54.97 55.29 1irp s GLU 151 Cb -0.08 -3.82 0.00 0.00 -0.44 0.00 0.00 34.13 29.78 1irp s GLU 151 CO 0.01 -0.94 0.00 -0.25 0.95 0.00 0.00 175.26 175.03 1irp n ASP 152 N 6.66 -5.64 0.00 0.83 8.00 -1.01 -4.90 116.55 120.49 1irp n ASP 152 Ca 0.05 0.98 0.00 0.00 0.71 0.00 0.00 54.79 56.53 1irp n ASP 152 Cb 0.48 -3.47 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 1irp n ASP 152 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02