#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipm s THR 2 N 0.00 4.82 0.08 4.28 2.01 -1.26 -3.93 115.64 121.64 3ipm s THR 2 Ca 0.00 1.89 -0.02 0.00 0.31 0.00 0.00 61.69 63.88 3ipm s THR 2 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3ipm s THR 2 CO 0.00 0.01 0.02 0.42 -0.69 0.00 0.00 174.62 174.38 3ipm s THR 3 N 2.08 0.17 0.16 -0.82 -4.23 0.21 -2.39 115.64 110.82 3ipm s THR 3 Ca 0.45 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 58.97 3ipm s THR 3 Cb -0.18 -1.69 0.04 0.00 1.34 0.00 0.00 72.50 72.02 3ipm s THR 3 CO 0.15 -0.79 0.49 0.54 -0.54 0.00 0.00 174.62 174.47 3ipm s VAL 4 N -3.96 0.04 -0.25 2.29 0.11 0.23 -1.53 120.40 117.33 3ipm s VAL 4 Ca 0.13 -0.49 -0.02 0.00 -2.93 0.00 0.00 61.98 58.67 3ipm s VAL 4 Cb 0.08 -1.25 0.14 0.00 -1.53 0.00 0.00 36.38 33.81 3ipm s VAL 4 CO -0.06 -0.17 0.38 -0.83 -3.33 0.00 0.00 175.10 171.09 3ipm s GLY 5 N -2.81 -0.43 0.04 6.54 0.00 -0.61 -1.58 107.32 108.47 3ipm s GLY 5 Ca 0.04 0.82 0.02 0.00 0.00 0.00 0.00 44.72 45.61 3ipm s GLY 5 CO -0.09 2.71 0.03 -0.26 0.00 0.00 0.00 173.10 175.48 3ipm s ILE 6 N 2.54 4.30 0.46 0.90 -4.36 -0.79 -2.54 121.20 121.72 3ipm s ILE 6 Ca 0.12 -0.71 0.08 0.00 -0.26 0.00 0.00 60.65 59.89 3ipm s ILE 6 Cb -0.15 -3.00 0.03 0.00 1.25 0.00 0.00 42.46 40.59 3ipm s ILE 6 CO -0.18 0.24 0.62 0.42 0.24 0.00 0.00 174.94 176.28 3ipm s THR 7 N -1.24 2.78 0.00 8.37 -4.23 -0.68 -1.74 115.64 118.91 3ipm s THR 7 Ca 0.24 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3ipm s THR 7 Cb -0.12 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.93 3ipm s THR 7 CO 0.16 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 174.13 3ipm n LEU 8 N -1.93 0.00 -4.59 4.79 -0.00 -0.64 -4.93 117.00 109.70 3ipm n LEU 8 Ca 0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.69 3ipm n LEU 8 Cb 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.96 3ipm n LEU 8 CO 0.39 0.00 0.56 -0.54 -0.00 0.00 0.00 177.39 177.80 3ipm s LYS 9 N 1.04 3.77 -1.45 1.96 1.02 -1.26 -4.05 119.74 120.78 3ipm s LYS 9 Ca 0.00 0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.31 3ipm s LYS 9 Cb 0.00 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 3ipm s LYS 9 CO 0.00 -0.82 0.00 -0.25 -0.92 0.00 0.00 175.35 173.36 3ipm n ASP 10 N 6.36 -4.83 -3.51 2.83 8.00 -1.26 -4.94 116.55 119.20 3ipm n ASP 10 Ca 0.03 0.13 -0.14 0.00 0.71 0.00 0.00 54.79 55.52 3ipm n ASP 10 Cb 0.48 -4.08 -0.04 0.00 -0.02 0.00 0.00 41.12 37.46 3ipm n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ipm s ALA 11 N -2.78 -1.48 -0.08 2.24 0.00 -1.26 -3.68 121.76 114.73 3ipm s ALA 11 Ca 0.00 0.65 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 3ipm s ALA 11 Cb 0.00 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.67 3ipm s ALA 11 CO 0.00 -0.58 0.18 0.08 0.00 0.00 0.00 175.76 175.44 3ipm s VAL 12 N -2.77 -0.03 0.10 0.00 1.01 -0.62 -1.61 120.40 116.47 3ipm s VAL 12 Ca -0.04 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.14 3ipm s VAL 12 Cb -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 3ipm s VAL 12 CO -0.04 0.05 -0.15 -0.63 0.00 0.00 0.00 175.10 174.33 3ipm s ILE 13 N 0.85 3.05 -0.16 2.22 1.01 -0.71 -0.09 121.20 127.36 3ipm s ILE 13 Ca -0.06 -1.34 -0.05 0.00 0.00 0.00 0.00 60.65 59.20 3ipm s ILE 13 Cb -0.08 -2.39 0.08 0.00 0.01 0.00 0.00 42.46 40.08 3ipm s ILE 13 CO -0.05 0.15 0.28 -0.04 0.00 0.00 0.00 174.94 175.29 3ipm s MET 14 N -2.03 0.20 -0.03 2.79 -1.94 -1.12 -1.88 119.30 115.29 3ipm s MET 14 Ca 0.19 0.65 0.04 0.00 -1.71 0.00 0.00 55.69 54.85 3ipm s MET 14 Cb -0.11 -0.27 -0.00 0.00 2.01 0.00 0.00 34.83 36.46 3ipm s MET 14 CO 0.10 -0.39 -0.14 0.00 -0.01 0.00 0.00 175.02 174.59 3ipm s ALA 15 N 2.44 1.21 0.00 3.03 0.00 -0.61 -2.19 121.76 125.64 3ipm s ALA 15 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3ipm s ALA 15 Cb -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.59 3ipm s ALA 15 CO -0.10 0.23 0.00 0.25 0.00 0.00 0.00 175.76 176.13 3ipm n THR 16 N 3.12 0.00 -4.23 0.00 -2.24 -0.56 -0.60 114.28 109.77 3ipm n THR 16 Ca -0.17 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 3ipm n THR 16 Cb 0.54 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 3ipm n THR 16 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3ipm n GLU 17 N 0.00 0.47 -3.04 -0.78 -0.00 -1.00 -3.33 120.64 112.96 3ipm n GLU 17 Ca 0.00 -1.97 -0.17 0.00 -0.00 0.00 0.00 57.16 55.01 3ipm n GLU 17 Cb 0.00 1.35 -0.03 0.00 -0.00 0.00 0.00 31.44 32.76 3ipm n GLU 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 3ipm n ARG 18 N -0.45 0.62 -4.60 3.44 1.85 -0.86 -4.52 116.66 112.14 3ipm n ARG 18 Ca 0.01 -2.63 -0.23 0.00 -1.00 0.00 0.00 57.85 54.00 3ipm n ARG 18 Cb 0.35 -1.40 -0.16 0.00 -1.05 0.00 0.00 32.46 30.21 3ipm n ARG 18 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3ipm s ARG 19 N -0.16 1.37 -0.25 2.89 3.52 -1.25 -2.23 118.95 122.85 3ipm s ARG 19 Ca 0.33 -0.45 -0.03 0.00 -0.13 0.00 0.00 55.73 55.45 3ipm s ARG 19 Cb 0.14 -1.22 0.02 0.00 -1.56 0.00 0.00 34.95 32.33 3ipm s ARG 19 CO -0.16 0.17 -0.04 0.08 -0.81 0.00 0.00 175.30 174.54 3ipm s VAL 20 N 0.14 3.14 0.53 7.11 1.01 -0.97 -4.34 120.40 127.02 3ipm s VAL 20 Ca -0.04 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.17 3ipm s VAL 20 Cb -0.10 -2.56 0.07 0.00 0.00 0.00 0.00 36.38 33.79 3ipm s VAL 20 CO 0.01 0.23 0.73 -0.89 0.00 0.00 0.00 175.10 175.18 3ipm s THR 21 N 1.38 2.35 -0.38 3.92 2.01 -1.26 -2.11 115.64 121.55 3ipm s THR 21 Ca 0.02 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.01 3ipm s THR 21 Cb -0.16 -2.36 0.27 0.00 0.01 0.00 0.00 72.50 70.26 3ipm s THR 21 CO -0.03 0.00 1.14 0.23 -0.69 0.00 0.00 174.62 175.27 3ipm n MET 22 N -2.13 0.34 0.00 4.92 2.81 -0.68 -4.81 117.12 117.57 3ipm n MET 22 Ca 0.13 -1.03 0.00 0.00 -1.81 0.00 0.00 57.70 54.99 3ipm n MET 22 Cb 0.61 -0.62 0.00 0.00 -0.71 0.00 0.00 33.22 32.50 3ipm n MET 22 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3ipm n GLU 23 N 1.48 0.00 -0.32 0.03 4.71 -1.26 -2.70 120.64 122.58 3ipm n GLU 23 Ca 0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.16 3ipm n GLU 23 Cb 0.69 0.00 0.09 0.00 -1.01 0.00 0.00 31.44 31.21 3ipm n GLU 23 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3ipm n ASN 24 N 6.71 2.81 -4.25 1.62 3.02 -1.26 -4.80 115.26 119.12 3ipm n ASN 24 Ca 0.00 -2.38 -0.26 0.00 -0.03 0.00 0.00 54.58 51.91 3ipm n ASN 24 Cb 0.00 -0.58 -0.14 0.00 -0.61 0.00 0.00 39.78 38.45 3ipm n ASN 24 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ipm s PHE 25 N -1.30 1.83 -0.30 3.10 5.36 -1.10 -5.12 117.98 120.45 3ipm s PHE 25 Ca 0.17 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 55.79 3ipm s PHE 25 Cb 0.14 -1.10 0.09 0.00 -0.34 0.00 0.00 43.02 41.80 3ipm s PHE 25 CO 0.04 0.08 0.02 0.42 -1.46 0.00 0.00 175.22 174.32 3ipm s ILE 26 N -0.76 1.87 0.02 3.12 1.01 -1.26 -1.68 121.20 123.51 3ipm s ILE 26 Ca 0.08 -1.87 -0.26 0.00 0.00 0.00 0.00 60.65 58.60 3ipm s ILE 26 Cb -0.09 -2.28 -0.17 0.00 0.01 0.00 0.00 42.46 39.93 3ipm s ILE 26 CO 0.01 -0.44 1.37 0.24 0.00 0.00 0.00 174.94 176.13 3ipm h MET 27 N 7.78 -0.30 -4.18 2.79 2.86 -1.74 -3.44 114.93 118.70 3ipm h MET 27 Ca -0.10 0.02 -0.42 0.00 -2.06 0.00 0.00 59.70 57.14 3ipm h MET 27 Cb 1.03 0.07 -0.33 0.00 0.06 0.00 0.00 31.60 32.43 3ipm h MET 27 CO 0.48 -0.01 -0.78 -1.01 1.06 0.00 0.00 176.91 176.65 3ipm s HIS 28 N -5.01 0.85 -2.15 -0.22 3.76 -1.22 -4.98 115.29 106.32 3ipm s HIS 28 Ca -0.15 -0.25 0.17 0.00 -0.15 0.00 0.00 55.06 54.69 3ipm s HIS 28 Cb 0.03 -0.70 0.65 0.00 1.11 0.00 0.00 32.58 33.67 3ipm s HIS 28 CO 0.60 -0.18 1.47 1.63 -0.85 0.00 0.00 174.74 177.41 3ipm n LYS 29 N 3.84 1.60 -3.18 1.40 5.02 -1.26 -2.28 118.16 123.31 3ipm n LYS 29 Ca -0.24 -0.92 0.02 0.00 -2.02 0.00 0.00 58.31 55.16 3ipm n LYS 29 Cb 0.52 -1.33 -0.01 0.00 -0.02 0.00 0.00 35.03 34.19 3ipm n LYS 29 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3ipm s ASN 30 N -1.40 -1.50 0.21 4.39 3.84 -1.13 -4.41 114.94 114.95 3ipm s ASN 30 Ca 0.28 -0.13 0.01 0.00 0.21 0.00 0.00 52.86 53.23 3ipm s ASN 30 Cb 0.14 1.96 -0.00 0.00 -0.55 0.00 0.00 41.25 42.81 3ipm s ASN 30 CO 0.21 -0.27 0.03 0.61 -2.79 0.00 0.00 177.10 174.90 3ipm n GLY 31 N 5.12 3.82 3.66 1.21 0.00 -0.95 -5.02 105.19 113.05 3ipm n GLY 31 Ca 0.07 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 3ipm n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ipm s LYS 32 N -2.79 3.29 0.00 1.61 2.47 -1.26 -4.68 119.74 118.38 3ipm s LYS 32 Ca 0.04 -0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 3ipm s LYS 32 Cb 0.00 -2.91 0.00 0.00 -1.46 0.00 0.00 37.83 33.46 3ipm s LYS 32 CO 0.03 0.57 0.00 1.63 0.16 0.00 0.00 175.35 177.74 3ipm n LYS 33 N 2.57 2.52 -4.06 4.03 5.02 -1.26 -5.00 118.16 121.97 3ipm n LYS 33 Ca -0.18 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.79 3ipm n LYS 33 Cb 0.53 -0.26 -0.16 0.00 -0.02 0.00 0.00 35.03 35.12 3ipm n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3ipm s LEU 34 N -0.43 2.25 0.10 -0.35 2.96 -1.26 -2.78 118.68 119.17 3ipm s LEU 34 Ca 0.00 -0.77 0.06 0.00 -0.22 0.00 0.00 54.13 53.20 3ipm s LEU 34 Cb 0.00 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 3ipm s LEU 34 CO 0.00 -0.07 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.45 3ipm s PHE 35 N 1.33 1.36 -0.30 5.38 0.08 -0.85 -5.01 117.98 119.97 3ipm s PHE 35 Ca 0.02 -0.50 -0.20 0.00 0.12 0.00 0.00 56.93 56.37 3ipm s PHE 35 Cb -0.15 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.56 3ipm s PHE 35 CO -0.10 0.11 0.62 -1.14 -0.10 0.00 0.00 175.22 174.61 3ipm s GLN 36 N -2.16 3.91 0.00 0.44 0.74 -1.26 -1.12 119.66 120.21 3ipm s GLN 36 Ca 0.04 0.30 0.24 0.00 0.05 0.00 0.00 55.36 55.99 3ipm s GLN 36 Cb -0.08 -3.72 0.33 0.00 1.10 0.00 0.00 33.01 30.64 3ipm s GLN 36 CO 0.03 -0.55 1.30 0.44 -0.55 0.00 0.00 175.29 175.96 3ipm n ILE 37 N 5.37 0.00 -3.63 -2.34 -5.35 -0.72 -4.96 119.36 107.73 3ipm n ILE 37 Ca -0.01 -0.26 -0.03 0.00 -0.27 0.00 0.00 62.75 62.18 3ipm n ILE 37 Cb 0.49 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.36 3ipm n ILE 37 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3ipm s ASP 38 N -2.36 -0.05 0.19 7.28 2.15 -1.11 -4.49 116.67 118.28 3ipm s ASP 38 Ca 0.23 0.02 0.07 0.00 0.43 0.00 0.00 52.55 53.30 3ipm s ASP 38 Cb 0.19 0.05 0.61 0.00 -0.30 0.00 0.00 42.92 43.47 3ipm s ASP 38 CO 0.49 -0.07 0.89 0.41 -0.17 0.00 0.00 175.17 176.72 3ipm n THR 39 N 0.11 -0.24 -2.51 1.71 -1.04 -1.26 -0.22 114.28 110.83 3ipm n THR 39 Ca 0.03 1.19 -0.11 0.00 -2.04 0.00 0.00 64.05 63.12 3ipm n THR 39 Cb 0.57 -1.84 0.04 0.00 -1.82 0.00 0.00 70.33 67.27 3ipm n THR 39 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3ipm n TYR 40 N -4.47 1.90 -3.76 -1.42 4.01 -1.26 -2.60 117.16 109.56 3ipm n TYR 40 Ca 0.18 -2.26 -0.13 0.00 -0.16 0.00 0.00 57.90 55.52 3ipm n TYR 40 Cb 0.60 -0.27 -0.09 0.00 -0.31 0.00 0.00 39.34 39.26 3ipm n TYR 40 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3ipm s THR 41 N -4.13 0.04 0.35 -0.72 2.01 0.70 -2.01 115.64 111.87 3ipm s THR 41 Ca 0.37 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.07 3ipm s THR 41 Cb 0.37 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 3ipm s THR 41 CO -0.01 -0.19 0.19 -0.83 -0.69 0.00 0.00 174.62 173.09 3ipm s GLY 42 N -0.94 2.36 -0.23 4.40 0.00 0.19 -1.76 107.32 111.35 3ipm s GLY 42 Ca -0.10 -1.68 -0.26 0.00 0.00 0.00 0.00 44.72 42.68 3ipm s GLY 42 CO 0.03 -1.63 0.70 -0.29 0.00 0.00 0.00 173.10 171.92 3ipm s MET 43 N -3.64 0.87 -0.26 2.90 1.75 -0.27 -2.49 119.30 118.15 3ipm s MET 43 Ca 0.33 0.85 0.03 0.00 -1.25 0.00 0.00 55.69 55.65 3ipm s MET 43 Cb 0.03 0.42 0.06 0.00 2.84 0.00 0.00 34.83 38.18 3ipm s MET 43 CO 0.20 -0.14 -0.11 0.95 -0.65 0.00 0.00 175.02 175.27 3ipm s THR 44 N 0.08 2.12 0.80 10.11 -4.23 -0.57 -2.02 115.64 121.94 3ipm s THR 44 Ca -0.02 -1.60 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 3ipm s THR 44 Cb -0.04 -2.24 0.07 0.00 1.34 0.00 0.00 72.50 71.63 3ipm s THR 44 CO 0.03 -0.03 1.09 0.27 -0.54 0.00 0.00 174.62 175.44 3ipm s ILE 45 N 1.13 3.13 -0.30 2.99 -5.25 -1.12 -2.24 121.20 119.54 3ipm s ILE 45 Ca -0.09 0.37 -0.18 0.00 -0.99 0.00 0.00 60.65 59.76 3ipm s ILE 45 Cb -0.20 -3.06 0.17 0.00 2.95 0.00 0.00 42.46 42.33 3ipm s ILE 45 CO -0.05 -0.48 1.25 0.00 -1.79 0.00 0.00 174.94 173.86 3ipm s ALA 46 N -3.09 -3.90 0.00 2.27 0.00 -1.17 -4.92 121.76 110.94 3ipm s ALA 46 Ca 0.61 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3ipm s ALA 46 Cb -0.15 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.35 3ipm s ALA 46 CO 0.55 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 175.24 3ipm n GLY 47 N 5.43 0.75 3.63 0.00 0.00 -1.26 -2.14 105.19 111.60 3ipm n GLY 47 Ca -0.09 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 3ipm n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ipm s LEU 48 N 0.00 4.07 0.00 0.99 2.96 0.24 -4.99 118.68 121.94 3ipm s LEU 48 Ca 0.00 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 3ipm s LEU 48 Cb 0.00 -3.19 0.00 0.00 0.50 0.00 0.00 46.19 43.50 3ipm s LEU 48 CO 0.00 -0.58 0.66 0.52 -1.32 0.00 0.00 176.35 175.63 3ipm n VAL 49 N 5.40 0.00 0.00 1.68 0.31 -1.26 -1.59 118.33 122.87 3ipm n VAL 49 Ca 0.06 1.16 0.00 0.00 -0.01 0.00 0.00 64.34 65.55 3ipm n VAL 49 Cb 0.48 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 3ipm n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ipm n GLY 50 N -0.94 -2.46 0.27 2.92 0.00 -1.26 -1.56 105.19 102.15 3ipm n GLY 50 Ca 0.00 0.52 -0.07 0.00 0.00 0.00 0.00 46.02 46.47 3ipm n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ipm n ASP 51 N -1.24 -0.67 -0.41 1.61 9.92 -1.22 -1.33 116.55 123.20 3ipm n ASP 51 Ca 0.00 1.35 -0.11 0.00 -0.53 0.00 0.00 54.79 55.50 3ipm n ASP 51 Cb 0.00 -0.25 -0.09 0.00 -0.64 0.00 0.00 41.12 40.13 3ipm n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ipm n ALA 52 N -3.23 -0.61 -0.11 2.24 0.00 -0.60 -1.40 120.51 116.78 3ipm n ALA 52 Ca 0.01 0.85 -0.06 0.00 0.00 0.00 0.00 53.44 54.25 3ipm n ALA 52 Cb 0.17 -0.15 0.02 0.00 0.00 0.00 0.00 19.45 19.49 3ipm n ALA 52 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3ipm h GLN 53 N 0.00 0.25 -0.96 0.00 4.20 -0.37 -1.37 115.11 116.85 3ipm h GLN 53 Ca 0.17 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.98 3ipm h GLN 53 Cb 0.41 -0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.06 3ipm h GLN 53 CO -0.93 0.16 0.61 0.28 -0.67 0.00 0.00 178.83 178.28 3ipm h VAL 54 N 0.26 0.91 0.57 -0.54 2.07 -0.74 -0.93 116.25 117.84 3ipm h VAL 54 Ca 0.18 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3ipm h VAL 54 Cb 0.18 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3ipm h VAL 54 CO -0.20 0.17 -0.27 -0.07 0.02 0.00 0.00 177.57 177.22 3ipm h LEU 55 N 0.92 -0.64 -0.82 2.57 3.38 -0.21 0.12 115.31 120.62 3ipm h LEU 55 Ca 0.47 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.54 3ipm h LEU 55 Cb 0.52 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 3ipm h LEU 55 CO -0.24 -0.33 -0.34 0.58 0.09 0.00 0.00 178.44 178.20 3ipm h VAL 56 N -0.95 0.09 0.04 1.22 2.07 -0.59 0.70 116.25 118.83 3ipm h VAL 56 Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3ipm h VAL 56 Cb 0.64 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3ipm h VAL 56 CO 0.13 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 177.73 3ipm h ARG 57 N -0.06 -0.05 -0.78 1.57 3.08 -1.10 0.43 114.38 117.47 3ipm h ARG 57 Ca 0.32 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.57 3ipm h ARG 57 Cb 0.59 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 3ipm h ARG 57 CO -0.86 0.03 0.54 1.88 -1.07 0.00 0.00 179.97 180.49 3ipm h TYR 58 N -0.12 0.18 0.00 3.04 -1.99 0.19 -1.91 116.97 116.36 3ipm h TYR 58 Ca -0.01 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ipm h TYR 58 Cb 0.10 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.78 3ipm h TYR 58 CO -0.05 0.05 0.00 -1.33 -0.00 0.00 0.00 178.16 176.83 3ipm n MET 59 N -4.38 0.00 -0.22 4.88 2.81 0.22 -3.21 117.12 117.22 3ipm n MET 59 Ca 0.16 0.35 0.22 0.00 -1.81 0.00 0.00 57.70 56.62 3ipm n MET 59 Cb 0.75 -0.88 0.40 0.00 -0.71 0.00 0.00 33.22 32.79 3ipm n MET 59 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3ipm n LYS 60 N -1.55 -0.04 0.04 0.03 5.02 0.14 0.17 118.16 121.97 3ipm n LYS 60 Ca 0.00 0.93 -0.13 0.00 -2.02 0.00 0.00 58.31 57.09 3ipm n LYS 60 Cb 0.00 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.25 3ipm n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ipm h ALA 61 N 1.34 -0.08 -0.55 7.82 0.00 -1.50 -2.72 119.26 123.57 3ipm h ALA 61 Ca 0.57 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 3ipm h ALA 61 Cb 1.53 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 3ipm h ALA 61 CO -0.52 -0.39 -0.09 1.49 0.00 0.00 0.00 179.25 179.75 3ipm h GLU 62 N -0.41 1.02 -0.21 0.00 4.81 0.18 -0.98 114.58 119.00 3ipm h GLU 62 Ca -0.01 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 3ipm h GLU 62 Cb 0.36 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3ipm h GLU 62 CO 0.01 1.05 0.10 -0.07 -0.73 0.00 0.00 179.01 179.38 3ipm h LEU 63 N 0.91 0.28 -0.31 1.64 -0.00 -1.40 -2.52 115.31 113.90 3ipm h LEU 63 Ca 0.14 -0.13 0.03 0.00 -0.00 0.00 0.00 57.88 57.92 3ipm h LEU 63 Cb 0.66 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.21 3ipm h LEU 63 CO 0.05 0.33 0.12 -0.08 -0.00 0.00 0.00 178.44 178.86 3ipm h GLU 64 N 0.20 0.26 0.05 1.13 4.81 -1.38 -0.55 114.58 119.10 3ipm h GLU 64 Ca 0.07 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3ipm h GLU 64 Cb 0.13 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 3ipm h GLU 64 CO -0.01 0.17 -0.50 1.25 -0.73 0.00 0.00 179.01 179.19 3ipm h LEU 65 N 0.27 -1.53 -0.11 1.64 5.85 -1.00 0.36 115.31 120.78 3ipm h LEU 65 Ca 0.13 0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.04 3ipm h LEU 65 Cb 0.09 0.57 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3ipm h LEU 65 CO -0.12 -0.51 -0.30 0.22 -0.34 0.00 0.00 178.44 177.39 3ipm h TYR 66 N -0.66 -0.90 -0.84 1.25 5.03 -1.29 -1.89 116.97 117.66 3ipm h TYR 66 Ca 0.00 0.04 0.20 0.00 2.58 0.00 0.00 58.73 61.55 3ipm h TYR 66 Cb 0.69 0.41 -0.15 0.00 1.55 0.00 0.00 36.73 39.22 3ipm h TYR 66 CO -0.48 -0.29 -0.06 -0.09 -1.32 0.00 0.00 178.16 175.92 3ipm h ARG 67 N -0.29 0.05 -0.79 1.82 1.12 -0.74 0.66 114.38 116.21 3ipm h ARG 67 Ca 0.02 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.88 3ipm h ARG 67 Cb 0.36 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.27 3ipm h ARG 67 CO -0.26 0.03 0.45 -0.07 -3.11 0.00 0.00 179.97 177.01 3ipm h LEU 68 N 0.05 0.97 0.00 3.80 -0.00 0.34 0.58 115.31 121.05 3ipm h LEU 68 Ca 0.46 -0.09 -0.20 0.00 -0.00 0.00 0.00 57.88 58.05 3ipm h LEU 68 Cb 0.81 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 41.19 3ipm h LEU 68 CO -0.80 0.77 -1.71 0.00 -0.00 0.00 0.00 178.44 176.71 3ipm n GLN 69 N -4.44 0.64 0.00 1.13 10.64 -0.45 -4.34 117.38 120.56 3ipm n GLN 69 Ca 0.07 0.13 0.11 0.00 -1.83 0.00 0.00 57.00 55.48 3ipm n GLN 69 Cb 0.08 -1.71 -0.02 0.00 -0.86 0.00 0.00 30.24 27.73 3ipm n GLN 69 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3ipm n ARG 70 N -2.79 0.02 -1.96 2.61 5.12 0.22 -4.99 116.66 114.89 3ipm n ARG 70 Ca -0.14 -0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.59 3ipm n ARG 70 Cb 0.89 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.64 3ipm n ARG 70 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ipm n ARG 71 N -1.53 -1.61 -3.70 5.56 1.74 0.19 -4.95 116.66 112.37 3ipm n ARG 71 Ca 0.04 1.01 -0.11 0.00 -0.77 0.00 0.00 57.85 58.02 3ipm n ARG 71 Cb 0.34 -5.51 -0.10 0.00 -1.02 0.00 0.00 32.46 26.17 3ipm n ARG 71 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3ipm s VAL 72 N -2.76 -0.01 1.07 1.55 -7.23 -1.25 -5.07 120.40 106.70 3ipm s VAL 72 Ca 0.00 0.05 -0.15 0.00 -1.81 0.00 0.00 61.98 60.08 3ipm s VAL 72 Cb 0.00 -0.65 0.14 0.00 0.56 0.00 0.00 36.38 36.42 3ipm s VAL 72 CO 0.00 0.02 0.46 0.59 -0.31 0.00 0.00 175.10 175.86 3ipm n ASN 73 N 3.79 -1.87 -4.83 4.85 4.13 -1.26 -4.34 115.26 115.73 3ipm n ASN 73 Ca -0.20 0.04 -0.37 0.00 1.68 0.00 0.00 54.58 55.73 3ipm n ASN 73 Cb 0.56 -1.15 -0.06 0.00 -1.54 0.00 0.00 39.78 37.59 3ipm n ASN 73 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 3ipm s MET 74 N -3.84 3.74 0.16 3.52 -2.45 -1.26 -4.98 119.30 114.20 3ipm s MET 74 Ca 0.60 -0.01 -0.33 0.00 -1.25 0.00 0.00 55.69 54.71 3ipm s MET 74 Cb -0.19 -3.26 -0.16 0.00 1.25 0.00 0.00 34.83 32.47 3ipm s MET 74 CO 0.65 0.63 1.07 -2.30 1.05 0.00 0.00 175.02 176.12 3ipm n PRO 75 N 2.37 0.89 0.08 4.11 -0.02 -1.26 -4.79 135.00 136.38 3ipm n PRO 75 Ca -0.17 0.32 0.18 0.00 -2.02 0.00 0.00 63.50 61.81 3ipm n PRO 75 Cb 0.54 -1.75 0.72 0.00 -0.02 0.00 0.00 33.50 32.99 3ipm n PRO 75 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3ipm h ILE 76 N 2.47 0.67 0.02 4.25 1.08 -1.92 -1.45 117.51 122.62 3ipm h ILE 76 Ca -0.42 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 63.94 3ipm h ILE 76 Cb 1.36 0.77 0.01 0.00 -3.07 0.00 0.00 36.82 35.90 3ipm h ILE 76 CO 0.67 0.00 -0.44 -0.08 -0.69 0.00 0.00 178.15 177.61 3ipm h GLU 77 N 0.00 0.26 -0.05 2.37 4.81 -1.96 -2.93 114.58 117.07 3ipm h GLU 77 Ca 0.19 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3ipm h GLU 77 Cb 0.81 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 3ipm h GLU 77 CO -0.00 1.04 0.04 0.00 -0.73 0.00 0.00 179.01 179.36 3ipm h ALA 78 N 0.23 1.89 -0.27 2.92 0.00 -1.69 0.38 119.26 122.71 3ipm h ALA 78 Ca -0.06 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3ipm h ALA 78 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ipm h ALA 78 CO 0.09 -0.07 -0.28 0.28 0.00 0.00 0.00 179.25 179.27 3ipm h VAL 79 N 0.00 1.31 -0.15 0.00 2.07 -1.31 0.15 116.25 118.32 3ipm h VAL 79 Ca 0.02 -1.45 -0.17 0.00 0.82 0.00 0.00 66.70 65.92 3ipm h VAL 79 Cb 0.11 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3ipm h VAL 79 CO -0.00 0.46 -0.63 0.00 0.02 0.00 0.00 177.57 177.42 3ipm h ALA 80 N 0.69 0.62 -0.35 1.67 0.00 -0.97 -1.98 119.26 118.94 3ipm h ALA 80 Ca 0.04 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3ipm h ALA 80 Cb 0.85 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ipm h ALA 80 CO 0.07 0.71 -0.01 1.15 0.00 0.00 0.00 179.25 181.16 3ipm h THR 81 N 0.40 1.26 0.10 0.00 2.02 -0.23 0.54 112.91 117.01 3ipm h THR 81 Ca -0.01 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.18 3ipm h THR 81 Cb 1.19 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 3ipm h THR 81 CO 0.12 0.33 -0.19 0.25 0.37 0.00 0.00 175.52 176.40 3ipm h LEU 82 N 0.44 -0.54 -0.57 2.58 5.85 -0.61 -0.19 115.31 122.28 3ipm h LEU 82 Ca 0.10 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3ipm h LEU 82 Cb 0.48 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 3ipm h LEU 82 CO 0.02 -0.27 0.30 0.25 -0.34 0.00 0.00 178.44 178.40 3ipm h LEU 83 N -0.36 0.45 -0.19 2.25 6.46 -1.21 -1.63 115.31 121.08 3ipm h LEU 83 Ca 0.03 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 3ipm h LEU 83 Cb 0.39 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 3ipm h LEU 83 CO -0.11 0.30 -0.30 -1.28 -0.62 0.00 0.00 178.44 176.44 3ipm h SER 84 N 0.58 -0.98 -0.54 1.25 0.87 0.92 -1.10 113.55 114.54 3ipm h SER 84 Ca 0.25 0.13 0.11 0.00 -1.23 0.00 0.00 61.79 61.04 3ipm h SER 84 Cb 0.14 0.40 -0.10 0.00 -0.44 0.00 0.00 62.40 62.39 3ipm h SER 84 CO -0.16 -0.22 -0.07 0.78 -0.53 0.00 0.00 176.83 176.62 3ipm h ASN 85 N -0.23 -0.38 -0.76 6.23 2.35 -0.75 -1.47 115.58 120.56 3ipm h ASN 85 Ca 0.03 0.15 0.07 0.00 -0.55 0.00 0.00 56.30 56.00 3ipm h ASN 85 Cb 0.33 0.29 -0.06 0.00 0.05 0.00 0.00 38.32 38.92 3ipm h ASN 85 CO -0.30 -0.14 0.44 0.24 -1.65 0.00 0.00 177.43 176.02 3ipm h MET 86 N 0.05 0.76 -0.34 0.81 2.86 -0.72 0.17 114.93 118.52 3ipm h MET 86 Ca 0.27 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.75 3ipm h MET 86 Cb 0.42 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3ipm h MET 86 CO -0.51 0.50 -0.26 -0.07 1.06 0.00 0.00 176.91 177.63 3ipm h LEU 87 N 0.79 0.71 0.05 1.22 3.38 -0.21 -3.23 115.31 118.01 3ipm h LEU 87 Ca 0.35 -0.27 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 3ipm h LEU 87 Cb 0.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ipm h LEU 87 CO -0.20 0.94 -1.17 -1.13 0.09 0.00 0.00 178.44 176.98 3ipm h ASN 88 N 0.60 0.43 0.00 -0.43 -0.73 -0.92 -3.09 115.58 111.44 3ipm h ASN 88 Ca 0.08 -0.43 0.00 0.00 1.87 0.00 0.00 56.30 57.82 3ipm h ASN 88 Cb 0.76 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.21 3ipm h ASN 88 CO 0.06 1.31 0.30 0.00 -0.37 0.00 0.00 177.43 178.73 3ipm n GLN 89 N -3.58 0.06 -2.72 6.67 6.02 0.01 -0.60 117.38 123.24 3ipm n GLN 89 Ca -0.08 0.48 -0.09 0.00 -0.01 0.00 0.00 57.00 57.30 3ipm n GLN 89 Cb 0.98 -1.99 0.06 0.00 1.02 0.00 0.00 30.24 30.30 3ipm n GLN 89 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3ipm n VAL 90 N -1.80 0.54 0.33 5.09 0.24 -1.22 -4.94 118.33 116.56 3ipm n VAL 90 Ca -0.01 -2.60 0.15 0.00 -2.04 0.00 0.00 64.34 59.85 3ipm n VAL 90 Cb 0.31 0.74 0.64 0.00 -1.47 0.00 0.00 33.84 34.06 3ipm n VAL 90 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3ipm h LYS 91 N 2.68 0.00 0.00 7.34 2.10 -0.77 -1.49 116.57 126.42 3ipm h LYS 91 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 3ipm h LYS 91 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3ipm h LYS 91 CO 0.30 0.00 -0.86 1.88 -2.00 0.00 0.00 179.45 178.77 3ipm h TYR 92 N 0.00 0.00 -1.91 0.07 0.99 -1.89 -3.32 116.97 110.90 3ipm h TYR 92 Ca 0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 3ipm h TYR 92 Cb 0.40 0.00 -0.41 0.00 1.00 0.00 0.00 36.73 37.72 3ipm h TYR 92 CO 0.00 0.00 -0.94 -1.33 -0.00 0.00 0.00 178.16 175.89 3ipm n MET 93 N -2.47 2.14 -0.05 4.88 2.81 -0.95 -5.10 117.12 118.38 3ipm n MET 93 Ca 0.01 -4.05 -0.05 0.00 -1.81 0.00 0.00 57.70 51.80 3ipm n MET 93 Cb 0.51 -1.91 0.05 0.00 -0.71 0.00 0.00 33.22 31.15 3ipm n MET 93 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3ipm n PRO 94 N -0.06 -2.34 -4.09 0.03 -0.04 -0.60 -4.87 135.00 123.03 3ipm n PRO 94 Ca 0.27 -0.23 -0.33 0.00 -0.04 0.00 0.00 63.50 63.17 3ipm n PRO 94 Cb 0.58 -0.29 -0.15 0.00 -0.04 0.00 0.00 33.50 33.60 3ipm n PRO 94 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ipm s TYR 95 N -1.19 3.01 0.00 0.54 1.51 -1.26 -4.98 117.35 114.98 3ipm s TYR 95 Ca 0.11 -1.94 -0.00 0.00 -1.01 0.00 0.00 57.07 54.22 3ipm s TYR 95 Cb -0.02 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 3ipm s TYR 95 CO 0.09 -0.84 0.51 -1.33 -1.11 0.00 0.00 175.55 172.87 3ipm n MET 96 N 4.54 0.19 -4.13 -0.62 2.81 -1.26 -4.69 117.12 113.96 3ipm n MET 96 Ca -0.18 -0.05 -0.27 0.00 -1.81 0.00 0.00 57.70 55.40 3ipm n MET 96 Cb 0.46 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.46 3ipm n MET 96 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3ipm s VAL 97 N 2.04 1.80 -0.29 2.03 -7.23 -1.26 0.79 120.40 118.28 3ipm s VAL 97 Ca 0.03 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 3ipm s VAL 97 Cb 0.02 -2.46 0.20 0.00 0.56 0.00 0.00 36.38 34.69 3ipm s VAL 97 CO 0.00 0.00 0.72 -1.58 -0.31 0.00 0.00 175.10 173.93 3ipm s GLN 98 N -4.07 0.44 0.32 4.82 0.74 -0.91 -4.01 119.66 116.99 3ipm s GLN 98 Ca 0.31 0.44 0.08 0.00 0.05 0.00 0.00 55.36 56.24 3ipm s GLN 98 Cb 0.00 0.20 -0.04 0.00 1.10 0.00 0.00 33.01 34.27 3ipm s GLN 98 CO 0.18 -0.83 0.14 -0.48 -0.55 0.00 0.00 175.29 173.75 3ipm s LEU 99 N 2.87 3.33 -0.10 3.68 0.05 -1.14 -3.05 118.68 124.32 3ipm s LEU 99 Ca 0.15 -0.68 0.02 0.00 0.05 0.00 0.00 54.13 53.67 3ipm s LEU 99 Cb -0.08 -1.84 0.01 0.00 -2.05 0.00 0.00 46.19 42.24 3ipm s LEU 99 CO -0.25 -0.24 -0.16 -0.76 -0.55 0.00 0.00 176.35 174.39 3ipm s LEU 100 N -3.83 1.76 -0.35 1.48 1.43 -0.95 -1.79 118.68 116.43 3ipm s LEU 100 Ca 0.37 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3ipm s LEU 100 Cb -0.04 -1.10 0.06 0.00 0.03 0.00 0.00 46.19 45.15 3ipm s LEU 100 CO 0.23 0.03 0.10 -0.69 0.23 0.00 0.00 176.35 176.25 3ipm s VAL 101 N 0.87 3.41 0.09 -1.59 1.01 -0.37 -1.51 120.40 122.30 3ipm s VAL 101 Ca -0.09 -1.45 0.09 0.00 0.00 0.00 0.00 61.98 60.53 3ipm s VAL 101 Cb -0.15 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3ipm s VAL 101 CO 0.00 -0.29 -0.24 -0.83 0.00 0.00 0.00 175.10 173.74 3ipm s GLY 102 N 1.50 1.35 0.00 4.51 0.00 -1.04 -1.22 107.32 112.42 3ipm s GLY 102 Ca -0.00 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.44 3ipm s GLY 102 CO -0.00 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.47 3ipm n GLY 103 N 1.32 -1.96 2.99 0.20 0.00 -1.04 0.57 105.19 107.27 3ipm n GLY 103 Ca -0.18 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 3ipm n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ipm s ILE 104 N -2.15 1.02 0.00 -0.61 1.01 -0.85 -1.11 121.20 118.51 3ipm s ILE 104 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 3ipm s ILE 104 Cb 0.00 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 3ipm s ILE 104 CO 0.00 0.34 -0.04 -0.90 0.00 0.00 0.00 174.94 174.33 3ipm n ASP 105 N 4.02 0.52 0.00 3.58 5.68 -1.26 -4.82 116.55 124.27 3ipm n ASP 105 Ca -0.22 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.15 3ipm n ASP 105 Cb 0.51 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3ipm n ASP 105 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3ipm n THR 106 N -2.99 0.00 -3.80 2.12 -2.24 -1.26 -5.05 114.28 101.06 3ipm n THR 106 Ca -0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 3ipm n THR 106 Cb 0.06 -0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 3ipm n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ipm s ALA 107 N -1.96 -0.45 -0.21 6.98 0.00 -1.26 -5.08 121.76 119.78 3ipm s ALA 107 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 3ipm s ALA 107 Cb 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 3ipm s ALA 107 CO 0.00 -0.47 1.26 -1.25 0.00 0.00 0.00 175.76 175.30 3ipm s PRO 108 N -3.26 4.13 0.32 0.00 0.04 -1.26 -4.40 135.00 130.57 3ipm s PRO 108 Ca 0.00 1.52 0.10 0.00 0.04 0.00 0.00 61.00 62.66 3ipm s PRO 108 Cb 0.02 -3.79 -0.06 0.00 0.04 0.00 0.00 34.50 30.71 3ipm s PRO 108 CO -0.08 -0.83 -0.07 -1.01 0.04 0.00 0.00 177.00 175.05 3ipm s HIS 109 N 3.76 2.46 -0.22 0.56 3.76 -0.27 -4.83 115.29 120.51 3ipm s HIS 109 Ca 0.55 -0.41 -0.07 0.00 -0.15 0.00 0.00 55.06 54.97 3ipm s HIS 109 Cb -0.20 -1.32 0.10 0.00 1.11 0.00 0.00 32.58 32.28 3ipm s HIS 109 CO 0.17 0.58 0.47 0.08 -0.85 0.00 0.00 174.74 175.18 3ipm s VAL 110 N -2.53 -0.72 -0.03 -0.90 1.01 -1.26 -2.48 120.40 113.48 3ipm s VAL 110 Ca 0.33 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.50 3ipm s VAL 110 Cb -0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3ipm s VAL 110 CO 0.17 0.05 -0.23 -0.36 0.00 0.00 0.00 175.10 174.74 3ipm s PHE 111 N 2.67 2.45 -0.25 5.22 0.40 -0.36 -2.20 117.98 125.92 3ipm s PHE 111 Ca -0.02 -0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 55.89 3ipm s PHE 111 Cb -0.12 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 41.88 3ipm s PHE 111 CO -0.14 0.01 -0.04 0.45 0.70 0.00 0.00 175.22 176.19 3ipm s SER 112 N -0.60 4.38 -0.07 1.36 0.15 -0.96 -1.24 113.70 116.73 3ipm s SER 112 Ca 0.09 -0.72 0.04 0.00 0.70 0.00 0.00 55.95 56.06 3ipm s SER 112 Cb -0.11 -1.71 -0.02 0.00 -1.71 0.00 0.00 66.02 62.48 3ipm s SER 112 CO -0.00 -0.10 -0.17 -0.63 1.20 0.00 0.00 173.24 173.53 3ipm s ILE 113 N 1.39 2.76 0.51 6.45 1.01 -0.74 -1.78 121.20 130.79 3ipm s ILE 113 Ca 0.02 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.93 3ipm s ILE 113 Cb -0.16 -2.07 0.04 0.00 0.01 0.00 0.00 42.46 40.28 3ipm s ILE 113 CO -0.04 0.57 0.56 1.51 0.00 0.00 0.00 174.94 177.55 3ipm s ASP 114 N -0.37 5.04 0.23 3.58 1.47 -1.13 -2.87 116.67 122.62 3ipm s ASP 114 Ca 0.03 -0.88 0.14 0.00 1.18 0.00 0.00 52.55 53.03 3ipm s ASP 114 Cb -0.12 0.01 0.79 0.00 -0.34 0.00 0.00 42.92 43.25 3ipm s ASP 114 CO 0.02 -1.04 1.43 0.00 0.68 0.00 0.00 175.17 176.25 3ipm n ALA 115 N -1.90 0.98 0.04 2.11 0.00 -1.26 -1.34 120.51 119.14 3ipm n ALA 115 Ca 0.07 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.53 3ipm n ALA 115 Cb 0.62 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.77 3ipm n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ipm h ALA 116 N 1.90 0.43 0.00 0.00 0.00 -1.92 -3.43 119.26 116.24 3ipm h ALA 116 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 3ipm h ALA 116 Cb 0.07 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ipm h ALA 116 CO 0.00 1.29 0.00 0.41 0.00 0.00 0.00 179.25 180.95 3ipm n GLY 117 N 1.54 0.81 3.62 0.00 0.00 -0.45 -2.80 105.19 107.91 3ipm n GLY 117 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3ipm n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ipm s GLY 118 N -0.70 1.31 -0.19 -0.02 0.00 -1.26 -4.29 107.32 102.17 3ipm s GLY 118 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 44.72 44.62 3ipm s GLY 118 CO 0.00 2.59 -0.03 -1.35 0.00 0.00 0.00 173.10 174.31 3ipm s SER 119 N 2.97 4.67 -0.07 1.64 1.04 -1.26 -2.83 113.70 119.85 3ipm s SER 119 Ca 0.56 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.80 3ipm s SER 119 Cb -0.14 -1.78 0.01 0.00 0.10 0.00 0.00 66.02 64.20 3ipm s SER 119 CO 0.26 0.09 -0.18 -0.69 0.98 0.00 0.00 173.24 173.70 3ipm s VAL 120 N 0.85 1.54 0.23 5.02 1.01 -0.74 -4.94 120.40 123.37 3ipm s VAL 120 Ca -0.00 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 3ipm s VAL 120 Cb -0.14 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.79 3ipm s VAL 120 CO 0.02 0.44 0.80 -0.70 0.00 0.00 0.00 175.10 175.66 3ipm s GLU 121 N 0.42 4.46 0.17 2.72 2.12 -1.26 -2.26 118.70 125.07 3ipm s GLU 121 Ca -0.14 1.09 0.01 0.00 0.36 0.00 0.00 54.97 56.29 3ipm s GLU 121 Cb -0.16 -3.00 -0.00 0.00 0.26 0.00 0.00 34.13 31.23 3ipm s GLU 121 CO 0.05 0.43 0.21 -3.47 -0.54 0.00 0.00 175.26 171.94 3ipm n ASP 122 N 1.00 -0.57 -0.06 -1.70 2.03 -0.93 -5.01 116.55 111.31 3ipm n ASP 122 Ca -0.02 -1.97 -0.11 0.00 0.52 0.00 0.00 54.79 53.20 3ipm n ASP 122 Cb 0.50 1.11 -0.10 0.00 -0.72 0.00 0.00 41.12 41.90 3ipm n ASP 122 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3ipm h ILE 123 N 1.50 1.44 -4.19 5.18 2.04 -1.92 -3.39 117.51 118.17 3ipm h ILE 123 Ca -0.13 -2.03 -0.16 0.00 1.00 0.00 0.00 64.86 63.54 3ipm h ILE 123 Cb 0.58 2.70 -0.15 0.00 -0.74 0.00 0.00 36.82 39.22 3ipm h ILE 123 CO 0.18 0.48 -0.67 -0.72 0.00 0.00 0.00 178.15 177.41 3ipm s TYR 124 N -2.22 0.72 -0.26 1.37 -0.85 -1.26 -1.68 117.35 113.16 3ipm s TYR 124 Ca -0.15 -1.09 -0.13 0.00 -0.52 0.00 0.00 57.07 55.18 3ipm s TYR 124 Cb -0.02 -0.46 0.09 0.00 0.38 0.00 0.00 41.96 41.95 3ipm s TYR 124 CO 0.56 -0.37 0.62 0.00 -1.52 0.00 0.00 175.55 174.84 3ipm s ALA 125 N -3.89 -1.71 -0.30 9.51 0.00 -1.05 -4.98 121.76 119.33 3ipm s ALA 125 Ca 0.14 2.20 -0.02 0.00 0.00 0.00 0.00 51.96 54.27 3ipm s ALA 125 Cb 0.07 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.85 3ipm s ALA 125 CO -0.05 -0.47 0.01 0.45 0.00 0.00 0.00 175.76 175.69 3ipm s SER 126 N 1.87 4.93 -0.13 0.00 0.15 -1.26 -1.58 113.70 117.68 3ipm s SER 126 Ca -0.09 -1.26 -0.10 0.00 0.70 0.00 0.00 55.95 55.21 3ipm s SER 126 Cb -0.07 -1.73 -0.05 0.00 -1.71 0.00 0.00 66.02 62.47 3ipm s SER 126 CO -0.18 -0.27 0.19 0.42 1.20 0.00 0.00 173.24 174.60 3ipm s THR 127 N 1.27 5.40 0.00 6.45 -4.23 -0.58 -4.72 115.64 119.23 3ipm s THR 127 Ca -0.05 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 3ipm s THR 127 Cb -0.20 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.16 3ipm s THR 127 CO -0.01 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 3ipm n GLY 128 N 2.50 3.86 0.38 3.99 0.00 -1.26 -0.62 105.19 114.04 3ipm n GLY 128 Ca -0.17 -1.69 0.19 0.00 0.00 0.00 0.00 46.02 44.34 3ipm n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ipm h SER 129 N 0.00 0.00 -0.20 1.61 4.64 -1.97 -0.13 113.55 117.50 3ipm h SER 129 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3ipm h SER 129 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3ipm h SER 129 CO 0.00 0.00 -0.03 0.61 -0.87 0.00 0.00 176.83 176.54 3ipm n GLY 130 N -1.42 4.44 0.14 -0.77 0.00 -1.26 -4.66 105.19 101.65 3ipm n GLY 130 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3ipm n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ipm h SER 131 N 1.19 0.00 0.12 1.61 4.64 -1.29 -3.09 113.55 116.73 3ipm h SER 131 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3ipm h SER 131 Cb 1.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3ipm h SER 131 CO 0.19 0.61 -0.04 -0.65 -0.87 0.00 0.00 176.83 176.07 3ipm h PRO 132 N 0.00 0.00 0.04 4.77 0.11 -1.83 0.35 132.00 135.44 3ipm h PRO 132 Ca -0.01 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3ipm h PRO 132 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ipm h PRO 132 CO 0.08 0.04 -0.36 0.74 -0.21 0.00 0.00 178.00 178.29 3ipm h PHE 133 N 0.00 0.16 -0.44 0.65 0.04 -1.91 -2.55 116.94 112.89 3ipm h PHE 133 Ca -0.00 -0.11 0.05 0.00 2.80 0.00 0.00 57.97 60.71 3ipm h PHE 133 Cb 0.11 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 3ipm h PHE 133 CO 0.00 1.14 0.29 0.28 -0.60 0.00 0.00 178.31 179.42 3ipm h VAL 134 N -0.81 0.99 0.00 -0.55 2.07 -1.31 0.86 116.25 117.49 3ipm h VAL 134 Ca -0.08 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3ipm h VAL 134 Cb 1.22 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3ipm h VAL 134 CO 0.02 0.07 0.00 -1.22 0.02 0.00 0.00 177.57 176.47 3ipm n TYR 135 N -4.48 0.44 -0.06 1.57 4.01 0.12 -1.71 117.16 117.05 3ipm n TYR 135 Ca 0.05 0.14 -0.19 0.00 -0.16 0.00 0.00 57.90 57.74 3ipm n TYR 135 Cb 0.22 -0.72 -0.13 0.00 -0.31 0.00 0.00 39.34 38.40 3ipm n TYR 135 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3ipm h GLY 136 N 4.29 0.08 0.97 2.72 0.00 0.11 -3.20 103.07 108.04 3ipm h GLY 136 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3ipm h GLY 136 CO 0.00 0.19 -0.37 -2.08 0.00 0.00 0.00 176.54 174.28 3ipm h VAL 137 N -0.80 0.22 -0.92 4.60 2.07 -0.89 -3.16 116.25 117.37 3ipm h VAL 137 Ca -0.23 -0.06 0.21 0.00 0.82 0.00 0.00 66.70 67.45 3ipm h VAL 137 Cb 1.35 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 3ipm h VAL 137 CO -0.07 0.01 0.61 -0.07 0.02 0.00 0.00 177.57 178.07 3ipm h LEU 138 N -1.07 0.40 -0.68 2.57 3.38 -1.52 -0.62 115.31 117.77 3ipm h LEU 138 Ca -0.11 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ipm h LEU 138 Cb 0.80 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3ipm h LEU 138 CO 0.17 0.15 0.00 -0.62 0.09 0.00 0.00 178.44 178.23 3ipm n GLU 139 N -4.51 0.93 -0.37 1.13 -0.58 -1.19 -2.08 120.64 113.96 3ipm n GLU 139 Ca 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 3ipm n GLU 139 Cb 0.73 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 3ipm n GLU 139 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3ipm n SER 140 N -0.14 0.00 0.00 1.62 2.88 -0.30 -4.96 113.62 112.72 3ipm n SER 140 Ca 0.00 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.44 3ipm n SER 140 Cb 0.16 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 3ipm n SER 140 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ipm n GLN 141 N 0.00 0.74 -3.16 -1.46 6.02 -0.84 -5.05 117.38 113.63 3ipm n GLN 141 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 3ipm n GLN 141 Cb 0.52 -0.06 -0.06 0.00 1.02 0.00 0.00 30.24 31.66 3ipm n GLN 141 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3ipm s TYR 142 N 0.00 3.72 -0.12 1.08 5.04 -0.88 -5.00 117.35 121.18 3ipm s TYR 142 Ca 0.00 1.35 -0.06 0.00 -2.44 0.00 0.00 57.07 55.92 3ipm s TYR 142 Cb 0.00 -2.58 0.05 0.00 0.35 0.00 0.00 41.96 39.79 3ipm s TYR 142 CO 0.00 0.44 0.29 0.45 -1.34 0.00 0.00 175.55 175.38 3ipm s SER 143 N -1.46 -0.27 0.37 4.32 0.15 -1.26 -4.99 113.70 110.54 3ipm s SER 143 Ca 0.38 0.62 0.17 0.00 0.70 0.00 0.00 55.95 57.82 3ipm s SER 143 Cb -0.18 0.52 1.12 0.00 -1.71 0.00 0.00 66.02 65.77 3ipm s SER 143 CO 0.21 -0.18 1.69 -0.33 1.20 0.00 0.00 173.24 175.83 3ipm h GLU 144 N 7.28 0.33 0.09 5.44 5.08 -1.97 -2.28 114.58 128.54 3ipm h GLU 144 Ca -0.38 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3ipm h GLU 144 Cb 1.16 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3ipm h GLU 144 CO 0.34 0.22 -0.04 0.87 -1.00 0.00 0.00 179.01 179.39 3ipm h LYS 145 N 0.34 -0.11 0.00 2.33 1.57 -1.97 -3.41 116.57 115.31 3ipm h LYS 145 Ca 0.71 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.49 3ipm h LYS 145 Cb 1.73 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.06 3ipm h LYS 145 CO -0.49 -0.02 0.00 -1.33 -0.57 0.00 0.00 179.45 177.04 3ipm n MET 146 N -5.11 0.00 -2.02 3.15 2.81 -0.86 -4.87 117.12 110.22 3ipm n MET 146 Ca -0.08 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.51 3ipm n MET 146 Cb 0.10 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.62 3ipm n MET 146 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3ipm s THR 147 N 0.00 4.50 0.41 2.03 -4.23 -1.26 -4.80 115.64 112.29 3ipm s THR 147 Ca 0.00 0.67 0.15 0.00 -1.18 0.00 0.00 61.69 61.33 3ipm s THR 147 Cb 0.00 -3.79 0.36 0.00 1.34 0.00 0.00 72.50 70.41 3ipm s THR 147 CO 0.00 -0.99 1.88 0.58 -0.54 0.00 0.00 174.62 175.55 3ipm h VAL 148 N -0.28 0.75 0.05 2.29 2.07 -1.96 0.07 116.25 119.25 3ipm h VAL 148 Ca -0.45 -0.16 -0.30 0.00 0.82 0.00 0.00 66.70 66.61 3ipm h VAL 148 Cb 1.21 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3ipm h VAL 148 CO 0.62 0.09 -1.62 0.44 0.02 0.00 0.00 177.57 177.12 3ipm h ASP 149 N 0.47 0.18 0.23 0.57 3.32 -2.00 -3.16 116.42 116.03 3ipm h ASP 149 Ca 0.43 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3ipm h ASP 149 Cb 0.96 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3ipm h ASP 149 CO -0.16 1.27 -0.17 -0.33 -1.72 0.00 0.00 179.24 178.12 3ipm h GLU 150 N 0.03 0.00 0.38 3.56 5.08 -1.69 -2.21 114.58 119.74 3ipm h GLU 150 Ca -0.26 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 3ipm h GLU 150 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 3ipm h GLU 150 CO 0.11 0.17 -0.18 0.78 -1.00 0.00 0.00 179.01 178.89 3ipm h GLY 151 N 0.63 -0.54 0.87 -3.84 0.00 -1.09 -0.90 103.07 98.21 3ipm h GLY 151 Ca -0.00 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.60 3ipm h GLY 151 CO 0.02 -0.20 0.49 -2.08 0.00 0.00 0.00 176.54 174.78 3ipm h VAL 152 N -0.97 0.17 0.00 4.60 2.07 -1.44 -0.16 116.25 120.51 3ipm h VAL 152 Ca -0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 3ipm h VAL 152 Cb 0.54 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3ipm h VAL 152 CO 0.09 0.00 -0.53 0.44 0.02 0.00 0.00 177.57 177.59 3ipm h ASP 153 N 0.00 0.00 -0.27 0.57 3.32 -1.25 -3.26 116.42 115.53 3ipm h ASP 153 Ca 0.12 -0.69 0.06 0.00 0.02 0.00 0.00 57.03 56.55 3ipm h ASP 153 Cb 1.10 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.57 3ipm h ASP 153 CO -0.00 1.15 -0.33 0.25 -1.72 0.00 0.00 179.24 178.59 3ipm h LEU 154 N -1.00 -1.07 -0.70 1.55 5.85 0.37 0.12 115.31 120.43 3ipm h LEU 154 Ca -0.14 0.17 0.15 0.00 0.84 0.00 0.00 57.88 58.91 3ipm h LEU 154 Cb 1.03 0.48 -0.11 0.00 0.37 0.00 0.00 40.66 42.43 3ipm h LEU 154 CO -0.08 -0.34 0.08 -0.37 -0.34 0.00 0.00 178.44 177.39 3ipm h VAL 155 N -0.33 0.47 -0.02 1.05 -1.51 -1.36 -1.44 116.25 113.11 3ipm h VAL 155 Ca 0.13 -0.06 -0.00 0.00 -1.23 0.00 0.00 66.70 65.54 3ipm h VAL 155 Cb 0.55 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 29.97 3ipm h VAL 155 CO -0.45 0.03 0.00 0.40 -1.23 0.00 0.00 177.57 176.32 3ipm h ILE 156 N 0.18 1.18 -1.01 7.19 2.04 -1.23 -2.42 117.51 123.45 3ipm h ILE 156 Ca 0.39 -0.54 0.29 0.00 1.00 0.00 0.00 64.86 65.99 3ipm h ILE 156 Cb 0.66 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 3ipm h ILE 156 CO -0.55 0.14 0.74 0.03 0.00 0.00 0.00 178.15 178.51 3ipm h ARG 157 N -0.20 0.00 0.02 2.37 3.08 0.21 -0.90 114.38 118.96 3ipm h ARG 157 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ipm h ARG 157 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3ipm h ARG 157 CO 0.00 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.89 3ipm h ALA 158 N 1.47 -0.18 0.00 0.04 0.00 -0.90 -3.06 119.26 116.64 3ipm h ALA 158 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3ipm h ALA 158 Cb 1.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3ipm h ALA 158 CO -0.01 -0.18 0.22 -0.89 0.00 0.00 0.00 179.25 178.40 3ipm n ILE 159 N -2.32 0.93 0.07 0.00 5.41 -1.03 0.10 119.36 122.52 3ipm n ILE 159 Ca -0.00 0.65 0.04 0.00 1.00 0.00 0.00 62.75 64.43 3ipm n ILE 159 Cb 0.01 -1.65 -0.04 0.00 -0.71 0.00 0.00 39.64 37.26 3ipm n ILE 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3ipm h SER 160 N 0.00 0.00 0.28 4.38 0.02 -1.24 -2.57 113.55 114.42 3ipm h SER 160 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 3ipm h SER 160 Cb 0.44 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 3ipm h SER 160 CO 0.00 0.39 -1.95 0.00 -1.14 0.00 0.00 176.83 174.13 3ipm n ALA 161 N -2.30 1.34 -0.21 3.77 0.00 0.11 -3.98 120.51 119.24 3ipm n ALA 161 Ca -0.05 -0.84 -0.06 0.00 0.00 0.00 0.00 53.44 52.49 3ipm n ALA 161 Cb 0.74 -0.65 0.03 0.00 0.00 0.00 0.00 19.45 19.57 3ipm n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ipm h ALA 162 N 0.69 0.75 0.00 0.00 0.00 -0.88 0.14 119.26 119.96 3ipm h ALA 162 Ca -0.38 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ipm h ALA 162 Cb 2.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3ipm h ALA 162 CO 0.06 0.21 0.00 1.63 0.00 0.00 0.00 179.25 181.15 3ipm n LYS 163 N -4.65 0.04 0.00 0.00 5.02 -0.97 -0.99 118.16 116.61 3ipm n LYS 163 Ca 0.04 0.32 0.12 0.00 -2.02 0.00 0.00 58.31 56.76 3ipm n LYS 163 Cb 0.04 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.68 3ipm n LYS 163 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3ipm n GLN 164 N -1.37 0.66 0.00 1.97 1.13 0.50 -4.55 117.38 115.72 3ipm n GLN 164 Ca 0.02 -0.48 0.00 0.00 -1.94 0.00 0.00 57.00 54.59 3ipm n GLN 164 Cb 0.04 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.90 3ipm n GLN 164 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3ipm n ARG 165 N -0.75 1.12 -2.76 -1.09 5.12 -0.65 -5.00 116.66 112.65 3ipm n ARG 165 Ca 0.09 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.58 3ipm n ARG 165 Cb 0.38 -0.66 -0.03 0.00 -1.16 0.00 0.00 32.46 30.99 3ipm n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3ipm s ASP 166 N -1.82 6.37 0.16 0.55 2.15 -0.16 -4.88 116.67 119.04 3ipm s ASP 166 Ca 0.00 -1.29 0.06 0.00 0.43 0.00 0.00 52.55 51.75 3ipm s ASP 166 Cb 0.00 -2.47 0.34 0.00 -0.30 0.00 0.00 42.92 40.49 3ipm s ASP 166 CO 0.00 -1.42 1.03 -1.54 -0.17 0.00 0.00 175.17 173.07 3ipm n SER 167 N 7.93 0.16 0.02 -0.34 3.41 -1.26 -1.02 113.62 122.52 3ipm n SER 167 Ca 0.13 0.42 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 3ipm n SER 167 Cb 0.48 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3ipm n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ipm n ALA 168 N -1.42 3.43 -2.69 7.33 0.00 -1.26 -4.94 120.51 120.95 3ipm n ALA 168 Ca -0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 53.44 52.68 3ipm n ALA 168 Cb 0.26 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 3ipm n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ipm s SER 169 N -3.98 5.12 0.00 0.00 0.01 -0.19 -2.52 113.70 112.14 3ipm s SER 169 Ca 0.02 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.22 3ipm s SER 169 Cb 0.14 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 65.07 3ipm s SER 169 CO 0.83 0.24 0.00 0.61 0.41 0.00 0.00 173.24 175.33 3ipm n GLY 170 N 1.06 -1.23 4.05 3.44 0.00 -1.26 -4.78 105.19 106.47 3ipm n GLY 170 Ca -0.13 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3ipm n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ipm n GLY 171 N 0.00 -0.68 0.00 -0.02 0.00 -1.26 -2.03 105.19 101.20 3ipm n GLY 171 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3ipm n GLY 171 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3ipm n MET 172 N 0.00 0.25 -3.37 1.61 0.00 -1.26 -4.87 117.12 109.47 3ipm n MET 172 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.70 57.45 3ipm n MET 172 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 3ipm n MET 172 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3ipm s ILE 173 N -0.59 0.13 0.19 1.12 1.01 -1.26 -4.12 121.20 117.68 3ipm s ILE 173 Ca 0.00 -2.12 -0.31 0.00 0.00 0.00 0.00 60.65 58.21 3ipm s ILE 173 Cb 0.00 -1.08 -0.10 0.00 0.01 0.00 0.00 42.46 41.28 3ipm s ILE 173 CO 0.00 -1.03 1.58 -1.81 0.00 0.00 0.00 174.94 173.67 3ipm s ASP 174 N 0.53 6.55 0.05 3.58 1.01 -1.21 -4.87 116.67 122.31 3ipm s ASP 174 Ca 0.27 2.67 0.03 0.00 0.71 0.00 0.00 52.55 56.23 3ipm s ASP 174 Cb -0.06 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 3ipm s ASP 174 CO -0.11 -0.84 -0.08 -0.69 0.21 0.00 0.00 175.17 173.66 3ipm s VAL 175 N 0.96 0.64 0.20 -1.27 1.01 -1.26 -1.49 120.40 119.19 3ipm s VAL 175 Ca 0.69 -1.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 3ipm s VAL 175 Cb -0.45 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3ipm s VAL 175 CO 0.33 -0.42 0.24 0.00 0.00 0.00 0.00 175.10 175.25 3ipm s ALA 176 N -1.64 0.61 -0.15 5.51 0.00 -0.93 -1.76 121.76 123.39 3ipm s ALA 176 Ca -0.06 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 50.49 3ipm s ALA 176 Cb -0.08 1.18 0.07 0.00 0.00 0.00 0.00 23.12 24.29 3ipm s ALA 176 CO 0.00 -0.66 0.32 0.08 0.00 0.00 0.00 175.76 175.51 3ipm s VAL 177 N -4.09 -0.36 -0.30 0.00 1.01 -0.18 -2.80 120.40 113.69 3ipm s VAL 177 Ca 0.30 0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.34 3ipm s VAL 177 Cb 0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 3ipm s VAL 177 CO 0.09 0.08 0.33 -0.63 0.00 0.00 0.00 175.10 174.97 3ipm s ILE 178 N 2.13 5.20 -0.04 2.22 1.01 0.86 -2.44 121.20 130.14 3ipm s ILE 178 Ca -0.03 0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.99 3ipm s ILE 178 Cb -0.11 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 3ipm s ILE 178 CO -0.10 0.09 -0.25 -0.89 0.00 0.00 0.00 174.94 173.79 3ipm s THR 179 N 1.98 2.01 0.56 2.92 2.01 -1.20 -1.58 115.64 122.34 3ipm s THR 179 Ca 0.12 -1.06 0.28 0.00 0.31 0.00 0.00 61.69 61.35 3ipm s THR 179 Cb -0.16 -1.69 0.40 0.00 0.01 0.00 0.00 72.50 71.07 3ipm s THR 179 CO 0.11 0.56 1.94 -0.09 -0.69 0.00 0.00 174.62 176.45 3ipm h ARG 180 N 5.85 0.00 0.00 4.92 9.65 -1.92 0.98 114.38 133.87 3ipm h ARG 180 Ca -0.36 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.50 3ipm h ARG 180 Cb 1.16 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3ipm h ARG 180 CO 0.47 0.00 -0.13 -0.22 2.80 0.00 0.00 179.97 182.89 3ipm h LYS 181 N 0.00 0.00 -0.02 0.20 3.64 -1.94 -3.39 116.57 115.07 3ipm h LYS 181 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3ipm h LYS 181 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3ipm h LYS 181 CO -0.00 0.62 -0.26 -0.25 -2.27 0.00 0.00 179.45 177.29 3ipm n ASP 182 N -4.65 1.80 -0.64 4.20 8.00 -0.98 -5.08 116.55 119.21 3ipm n ASP 182 Ca -0.08 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.01 3ipm n ASP 182 Cb 0.33 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 3ipm n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ipm n GLY 183 N 1.35 -0.37 3.68 0.44 0.00 0.34 -4.58 105.19 106.05 3ipm n GLY 183 Ca 0.12 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.86 3ipm n GLY 183 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ipm n TYR 184 N -1.28 2.40 -3.36 1.61 4.19 -1.07 -3.23 117.16 116.42 3ipm n TYR 184 Ca 0.00 0.24 -0.08 0.00 3.31 0.00 0.00 57.90 61.37 3ipm n TYR 184 Cb 0.00 -2.56 -0.08 0.00 0.49 0.00 0.00 39.34 37.19 3ipm n TYR 184 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 3ipm s VAL 185 N 0.78 -0.63 0.26 2.97 1.01 -1.02 -4.98 120.40 118.78 3ipm s VAL 185 Ca 0.76 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.44 3ipm s VAL 185 Cb -0.63 -0.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.85 3ipm s VAL 185 CO 0.39 -0.10 0.86 -1.58 0.00 0.00 0.00 175.10 174.67 3ipm s GLN 186 N 2.57 4.51 0.46 2.72 0.74 -1.26 -1.01 119.66 128.39 3ipm s GLN 186 Ca 0.12 1.19 -0.18 0.00 0.05 0.00 0.00 55.36 56.54 3ipm s GLN 186 Cb -0.15 -2.93 -0.09 0.00 1.10 0.00 0.00 33.01 30.93 3ipm s GLN 186 CO -0.16 0.38 0.94 -0.51 -0.55 0.00 0.00 175.29 175.39 3ipm s LEU 187 N -1.82 3.79 0.44 3.68 1.43 -0.72 -4.96 118.68 120.52 3ipm s LEU 187 Ca 0.45 1.56 -0.22 0.00 -1.03 0.00 0.00 54.13 54.89 3ipm s LEU 187 Cb -0.19 -4.45 -0.09 0.00 0.03 0.00 0.00 46.19 41.49 3ipm s LEU 187 CO 0.24 -0.46 1.05 -2.84 0.23 0.00 0.00 176.35 174.57 3ipm s PRO 188 N -3.63 3.99 0.15 1.29 0.02 -1.26 -4.81 135.00 130.75 3ipm s PRO 188 Ca 0.59 1.46 -0.25 0.00 0.02 0.00 0.00 61.00 62.82 3ipm s PRO 188 Cb -0.10 -2.35 0.01 0.00 0.02 0.00 0.00 34.50 32.08 3ipm s PRO 188 CO 0.23 -0.28 1.61 1.15 -0.33 0.00 0.00 177.00 179.38 3ipm h THR 189 N 1.91 0.27 -0.61 0.99 2.02 -1.99 -2.25 112.91 113.26 3ipm h THR 189 Ca -0.49 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.81 3ipm h THR 189 Cb 1.22 0.27 -0.12 0.00 -1.74 0.00 0.00 68.15 67.78 3ipm h THR 189 CO 0.61 0.00 -0.15 -2.24 0.37 0.00 0.00 175.52 174.11 3ipm h ASP 190 N -0.34 -0.56 -0.68 4.18 2.03 -2.00 0.47 116.42 119.52 3ipm h ASP 190 Ca 0.12 0.18 0.10 0.00 -0.73 0.00 0.00 57.03 56.70 3ipm h ASP 190 Cb 0.54 0.38 -0.04 0.00 -0.83 0.00 0.00 39.33 39.37 3ipm h ASP 190 CO -0.42 -0.20 0.45 -0.61 -1.03 0.00 0.00 179.24 177.43 3ipm h GLN 191 N 0.00 0.53 -0.24 4.15 4.15 -1.81 -0.38 115.11 121.52 3ipm h GLN 191 Ca 0.29 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.57 3ipm h GLN 191 Cb 0.45 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 3ipm h GLN 191 CO -0.63 0.35 -0.29 0.82 -1.93 0.00 0.00 178.83 177.15 3ipm h ILE 192 N 0.55 1.32 -0.77 2.39 1.08 -0.56 -2.93 117.51 118.58 3ipm h ILE 192 Ca 0.31 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 3ipm h ILE 192 Cb 0.50 1.71 -0.04 0.00 -3.07 0.00 0.00 36.82 35.92 3ipm h ILE 192 CO -0.10 0.46 0.49 -0.33 -0.69 0.00 0.00 178.15 177.98 3ipm h GLU 193 N 0.33 1.03 -0.11 2.37 5.08 -0.31 -1.98 114.58 120.99 3ipm h GLU 193 Ca 0.03 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3ipm h GLU 193 Cb 0.87 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 3ipm h GLU 193 CO 0.07 0.70 -0.39 0.77 -1.00 0.00 0.00 179.01 179.16 3ipm h SER 194 N 1.06 -1.22 -0.46 1.42 0.02 -0.95 -0.70 113.55 112.71 3ipm h SER 194 Ca 0.28 0.16 0.09 0.00 -0.84 0.00 0.00 61.79 61.49 3ipm h SER 194 Cb -0.09 0.50 -0.09 0.00 0.14 0.00 0.00 62.40 62.86 3ipm h SER 194 CO -0.06 -0.41 -0.13 0.03 -1.14 0.00 0.00 176.83 175.12 3ipm h ARG 195 N -0.48 -0.02 0.00 3.45 2.47 -1.26 -2.56 114.38 115.99 3ipm h ARG 195 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3ipm h ARG 195 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 3ipm h ARG 195 CO -0.37 -0.01 0.00 -0.89 0.56 0.00 0.00 179.97 179.25 3ipm n ILE 196 N -5.35 0.00 -0.27 2.04 5.41 -0.59 -2.42 119.36 118.17 3ipm n ILE 196 Ca 0.04 1.24 0.26 0.00 1.00 0.00 0.00 62.75 65.29 3ipm n ILE 196 Cb 0.26 -2.06 0.48 0.00 -0.71 0.00 0.00 39.64 37.61 3ipm n ILE 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3ipm n ARG 197 N -1.49 -0.05 -0.04 0.38 1.74 -0.37 0.22 116.66 117.05 3ipm n ARG 197 Ca 0.00 1.18 -0.11 0.00 -0.77 0.00 0.00 57.85 58.15 3ipm n ARG 197 Cb 0.00 -2.10 -0.06 0.00 -1.02 0.00 0.00 32.46 29.28 3ipm n ARG 197 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 3ipm h LYS 198 N 0.00 0.22 0.48 5.56 2.10 -1.23 -3.26 116.57 120.44 3ipm h LYS 198 Ca 0.70 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 59.28 3ipm h LYS 198 Cb 1.84 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 33.12 3ipm h LYS 198 CO -0.67 0.39 -0.41 -0.07 -2.00 0.00 0.00 179.45 176.69 3ipm h LEU 199 N 0.02 -1.10 0.00 7.07 3.38 0.13 -3.47 115.31 121.33 3ipm h LEU 199 Ca 0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ipm h LEU 199 Cb 0.27 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3ipm h LEU 199 CO 0.00 -0.56 0.00 0.61 0.09 0.00 0.00 178.44 178.58 3ipm n GLY 200 N -1.47 0.00 3.99 0.83 0.00 -1.02 -5.14 105.19 102.37 3ipm n GLY 200 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 3ipm n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ipm s LEU 201 N 0.00 3.92 -0.08 0.99 1.43 -1.26 -5.06 118.68 118.62 3ipm s LEU 201 Ca 0.00 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3ipm s LEU 201 Cb 0.00 -2.81 0.03 0.00 0.03 0.00 0.00 46.19 43.44 3ipm s LEU 201 CO 0.00 -0.48 0.00 0.27 0.23 0.00 0.00 176.35 176.37 3ipm s ILE 202 N -2.23 0.41 0.00 -0.59 -4.36 -1.26 -4.58 121.20 108.59 3ipm s ILE 202 Ca 0.46 0.06 0.00 0.00 -0.26 0.00 0.00 60.65 60.91 3ipm s ILE 202 Cb -0.10 -0.59 0.00 0.00 1.25 0.00 0.00 42.46 43.03 3ipm s ILE 202 CO 0.32 0.23 0.00 -0.11 0.24 0.00 0.00 174.94 175.63