#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 4.85 0.11 4.28 2.01 -1.26 -3.92 115.64 121.71 3ipm s THR 2 Ca 0.00 1.80 -0.01 0.00 0.31 0.00 0.00 61.69 63.79 3ipm s THR 2 Cb 0.00 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 3ipm s THR 2 CO 0.00 0.03 0.03 0.42 -0.69 0.00 0.00 174.62 174.42 3ipm s THR 3 N 1.99 0.14 0.15 -0.82 -4.23 0.08 -2.33 115.64 110.62 3ipm s THR 3 Ca 0.43 -1.87 -0.20 0.00 -1.18 0.00 0.00 61.69 58.86 3ipm s THR 3 Cb -0.17 -1.89 0.05 0.00 1.34 0.00 0.00 72.50 71.83 3ipm s THR 3 CO 0.15 -0.61 0.52 0.54 -0.54 0.00 0.00 174.62 174.68 3ipm s VAL 4 N -4.01 0.03 -0.25 2.29 0.11 -0.19 -1.71 120.40 116.67 3ipm s VAL 4 Ca 0.19 -0.27 -0.02 0.00 -2.93 0.00 0.00 61.98 58.95 3ipm s VAL 4 Cb 0.08 -1.10 0.13 0.00 -1.53 0.00 0.00 36.38 33.96 3ipm s VAL 4 CO -0.02 -0.13 0.36 -0.83 -3.33 0.00 0.00 175.10 171.16 3ipm s GLY 5 N -2.78 -0.37 0.02 6.54 0.00 -0.71 -1.61 107.32 108.41 3ipm s GLY 5 Ca 0.02 0.69 0.02 0.00 0.00 0.00 0.00 44.72 45.45 3ipm s GLY 5 CO -0.12 2.65 0.04 -0.26 0.00 0.00 0.00 173.10 175.41 3ipm s ILE 6 N 2.51 4.37 0.47 0.90 -4.36 -0.78 -2.56 121.20 121.76 3ipm s ILE 6 Ca 0.12 -0.62 0.08 0.00 -0.26 0.00 0.00 60.65 59.96 3ipm s ILE 6 Cb -0.15 -3.01 0.04 0.00 1.25 0.00 0.00 42.46 40.59 3ipm s ILE 6 CO -0.18 0.29 0.65 0.42 0.24 0.00 0.00 174.94 176.36 3ipm s THR 7 N -1.20 2.71 0.00 8.37 -4.23 -0.72 -1.62 115.64 118.95 3ipm s THR 7 Ca 0.23 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 3ipm s THR 7 Cb -0.12 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.00 3ipm s THR 7 CO 0.14 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 174.11 3ipm n LEU 8 N -1.99 0.00 -4.59 4.79 -0.00 -0.60 -4.92 117.00 109.68 3ipm n LEU 8 Ca 0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.70 3ipm n LEU 8 Cb 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.97 3ipm n LEU 8 CO 0.39 0.00 0.57 -0.54 -0.00 0.00 0.00 177.39 177.82 3ipm s LYS 9 N 1.01 3.82 -1.37 1.96 1.02 -1.26 -4.06 119.74 120.86 3ipm s LYS 9 Ca 0.00 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.38 3ipm s LYS 9 Cb 0.00 -3.78 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 3ipm s LYS 9 CO 0.00 -0.79 0.00 -0.25 -0.92 0.00 0.00 175.35 173.39 3ipm n ASP 10 N 6.34 -4.63 -3.49 2.83 8.00 -1.26 -4.94 116.55 119.39 3ipm n ASP 10 Ca 0.03 0.14 -0.14 0.00 0.71 0.00 0.00 54.79 55.53 3ipm n ASP 10 Cb 0.48 -3.93 -0.04 0.00 -0.02 0.00 0.00 41.12 37.61 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 -2.74 -1.56 -0.08 2.24 0.00 -1.26 -3.62 121.76 114.75 3ipm s ALA 11 Ca 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3ipm s ALA 11 Cb 0.00 0.51 0.04 0.00 0.00 0.00 0.00 23.12 23.67 3ipm s ALA 11 CO 0.00 -0.59 0.19 0.08 0.00 0.00 0.00 175.76 175.44 3ipm s VAL 12 N -2.72 -0.03 0.11 0.00 1.01 -0.65 -1.56 120.40 116.56 3ipm s VAL 12 Ca -0.04 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.14 3ipm s VAL 12 Cb -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 3ipm s VAL 12 CO -0.04 0.05 -0.11 -0.63 0.00 0.00 0.00 175.10 174.38 3ipm s ILE 13 N 0.94 3.33 -0.17 2.22 1.01 -0.64 -0.28 121.20 127.61 3ipm s ILE 13 Ca -0.07 -1.29 -0.05 0.00 0.00 0.00 0.00 60.65 59.24 3ipm s ILE 13 Cb -0.09 -2.56 0.09 0.00 0.01 0.00 0.00 42.46 39.91 3ipm s ILE 13 CO -0.05 0.10 0.32 -0.04 0.00 0.00 0.00 174.94 175.27 3ipm s MET 14 N -2.22 0.23 -0.03 2.79 -1.94 -1.13 -1.87 119.30 115.13 3ipm s MET 14 Ca 0.21 0.73 0.04 0.00 -1.71 0.00 0.00 55.69 54.96 3ipm s MET 14 Cb -0.11 -0.14 -0.00 0.00 2.01 0.00 0.00 34.83 36.58 3ipm s MET 14 CO 0.14 -0.38 -0.14 0.00 -0.01 0.00 0.00 175.02 174.63 3ipm s ALA 15 N 2.48 1.24 0.00 3.03 0.00 -0.63 -2.25 121.76 125.63 3ipm s ALA 15 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3ipm s ALA 15 Cb -0.13 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.61 3ipm s ALA 15 CO -0.11 0.25 0.00 0.25 0.00 0.00 0.00 175.76 176.15 3ipm n THR 16 N 3.01 0.00 -4.25 0.00 -2.24 -0.39 -1.02 114.28 109.39 3ipm n THR 16 Ca -0.17 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 3ipm n THR 16 Cb 0.54 0.00 -0.05 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 0.45 -3.06 -0.78 -0.00 -0.98 -3.42 120.64 112.84 3ipm n GLU 17 Ca 0.00 -2.22 -0.18 0.00 -0.00 0.00 0.00 57.16 54.76 3ipm n GLU 17 Cb 0.00 1.55 -0.03 0.00 -0.00 0.00 0.00 31.44 32.96 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 -0.50 0.60 -4.59 3.44 1.85 -0.93 -4.51 116.66 112.02 3ipm n ARG 18 Ca 0.01 -2.67 -0.23 0.00 -1.00 0.00 0.00 57.85 53.96 3ipm n ARG 18 Cb 0.40 -1.40 -0.16 0.00 -1.05 0.00 0.00 32.46 30.25 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 -0.18 1.29 -0.24 2.89 3.52 -1.25 -2.48 118.95 122.51 3ipm s ARG 19 Ca 0.33 -0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 55.46 3ipm s ARG 19 Cb 0.14 -1.17 0.01 0.00 -1.56 0.00 0.00 34.95 32.37 3ipm s ARG 19 CO -0.16 0.18 -0.06 0.08 -0.81 0.00 0.00 175.30 174.54 3ipm s VAL 20 N 0.08 3.03 0.54 7.11 1.01 -0.97 -4.40 120.40 126.79 3ipm s VAL 20 Ca -0.02 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.21 3ipm s VAL 20 Cb -0.09 -2.47 0.07 0.00 0.00 0.00 0.00 36.38 33.88 3ipm s VAL 20 CO 0.01 0.29 0.70 -0.89 0.00 0.00 0.00 175.10 175.20 3ipm s THR 21 N 1.38 2.24 -0.38 3.92 2.01 -1.26 -2.11 115.64 121.44 3ipm s THR 21 Ca 0.02 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 60.96 3ipm s THR 21 Cb -0.16 -2.31 0.27 0.00 0.01 0.00 0.00 72.50 70.31 3ipm s THR 21 CO -0.04 0.00 1.13 0.23 -0.69 0.00 0.00 174.62 175.25 3ipm n MET 22 N -2.10 0.35 0.00 4.92 2.81 -0.73 -4.81 117.12 117.57 3ipm n MET 22 Ca 0.12 -1.05 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 3ipm n MET 22 Cb 0.61 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 32.48 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 1.50 0.00 -0.33 0.03 4.71 -1.26 -2.72 120.64 122.56 3ipm n GLU 23 Ca 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.16 3ipm n GLU 23 Cb 0.68 0.00 0.09 0.00 -1.01 0.00 0.00 31.44 31.20 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 6.68 2.86 -4.24 1.62 3.02 -1.26 -4.80 115.26 119.14 3ipm n ASN 24 Ca 0.00 -2.40 -0.25 0.00 -0.03 0.00 0.00 54.58 51.90 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 -1.28 1.79 -0.31 3.10 5.36 -1.10 -5.12 117.98 120.41 3ipm s PHE 25 Ca 0.17 -0.37 0.03 0.00 -0.96 0.00 0.00 56.93 55.80 3ipm s PHE 25 Cb 0.14 -1.07 0.09 0.00 -0.34 0.00 0.00 43.02 41.84 3ipm s PHE 25 CO 0.04 0.08 0.03 0.42 -1.46 0.00 0.00 175.22 174.32 3ipm s ILE 26 N -0.77 1.98 0.03 3.12 1.01 -1.26 -1.77 121.20 123.55 3ipm s ILE 26 Ca 0.07 -2.00 -0.26 0.00 0.00 0.00 0.00 60.65 58.46 3ipm s ILE 26 Cb -0.09 -2.40 -0.17 0.00 0.01 0.00 0.00 42.46 39.82 3ipm s ILE 26 CO 0.01 -0.49 1.43 0.24 0.00 0.00 0.00 174.94 176.14 3ipm h MET 27 N 7.74 -0.31 -4.27 2.79 2.86 -1.74 -3.44 114.93 118.56 3ipm h MET 27 Ca -0.09 0.02 -0.43 0.00 -2.06 0.00 0.00 59.70 57.15 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 0.49 -0.05 -0.78 -1.01 1.06 0.00 0.00 176.91 176.62 3ipm s HIS 28 N -5.21 0.89 -2.25 -0.22 3.76 -1.21 -4.98 115.29 106.07 3ipm s HIS 28 Ca -0.15 -0.26 0.21 0.00 -0.15 0.00 0.00 55.06 54.71 3ipm s HIS 28 Cb 0.03 -0.71 0.78 0.00 1.11 0.00 0.00 32.58 33.79 3ipm s HIS 28 CO 0.61 -0.17 1.56 1.63 -0.85 0.00 0.00 174.74 177.52 3ipm n LYS 29 N 3.75 1.66 -3.21 1.40 5.02 -1.26 -2.29 118.16 123.23 3ipm n LYS 29 Ca -0.23 -0.99 -0.00 0.00 -2.02 0.00 0.00 58.31 55.07 3ipm n LYS 29 Cb 0.52 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 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 -1.57 -1.05 0.17 4.39 3.84 -1.16 -4.41 114.94 115.15 3ipm s ASN 30 Ca 0.32 -0.23 0.01 0.00 0.21 0.00 0.00 52.86 53.17 3ipm s ASN 30 Cb 0.17 1.75 -0.00 0.00 -0.55 0.00 0.00 41.25 42.62 3ipm s ASN 30 CO 0.26 -0.28 0.03 0.61 -2.79 0.00 0.00 177.10 174.92 3ipm n GLY 31 N 5.13 3.87 3.63 1.21 0.00 -1.03 -5.02 105.19 112.98 3ipm n GLY 31 Ca 0.06 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.64 3.28 0.00 1.61 2.47 -1.26 -4.69 119.74 118.50 3ipm s LYS 32 Ca 0.04 -0.42 0.00 0.00 -1.56 0.00 0.00 55.97 54.02 3ipm s LYS 32 Cb 0.00 -2.88 0.00 0.00 -1.46 0.00 0.00 37.83 33.49 3ipm s LYS 32 CO 0.03 0.54 0.00 1.63 0.16 0.00 0.00 175.35 177.71 3ipm n LYS 33 N 2.65 2.70 -4.08 4.03 5.02 -1.26 -5.00 118.16 122.21 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 -0.29 -0.16 0.00 -0.02 0.00 0.00 35.03 35.10 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 -0.44 2.40 0.10 -0.35 2.96 -1.26 -2.67 118.68 119.42 3ipm s LEU 34 Ca 0.00 -0.83 0.06 0.00 -0.22 0.00 0.00 54.13 53.14 3ipm s LEU 34 Cb 0.00 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 3ipm s LEU 34 CO 0.00 -0.07 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.46 3ipm s PHE 35 N 1.28 1.38 -0.30 5.38 0.08 -0.87 -5.00 117.98 119.92 3ipm s PHE 35 Ca 0.01 -0.51 -0.20 0.00 0.12 0.00 0.00 56.93 56.35 3ipm s PHE 35 Cb -0.15 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.55 3ipm s PHE 35 CO -0.10 0.12 0.61 -1.14 -0.10 0.00 0.00 175.22 174.60 3ipm s GLN 36 N -2.28 3.90 0.00 0.44 0.74 -1.26 -1.04 119.66 120.15 3ipm s GLN 36 Ca 0.05 0.27 0.24 0.00 0.05 0.00 0.00 55.36 55.97 3ipm s GLN 36 Cb -0.07 -3.72 0.25 0.00 1.10 0.00 0.00 33.01 30.56 3ipm s GLN 36 CO 0.03 -0.55 1.26 0.44 -0.55 0.00 0.00 175.29 175.92 3ipm n ILE 37 N 5.37 0.00 -3.62 -2.34 -5.35 -0.71 -4.96 119.36 107.74 3ipm n ILE 37 Ca -0.02 -0.28 -0.03 0.00 -0.27 0.00 0.00 62.75 62.15 3ipm n ILE 37 Cb 0.49 1.09 -0.03 0.00 -1.74 0.00 0.00 39.64 39.45 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 -0.09 0.18 7.28 2.15 -1.05 -4.49 116.67 118.30 3ipm s ASP 38 Ca 0.23 0.03 0.06 0.00 0.43 0.00 0.00 52.55 53.30 3ipm s ASP 38 Cb 0.19 0.08 0.57 0.00 -0.30 0.00 0.00 42.92 43.47 3ipm s ASP 38 CO 0.50 -0.12 0.85 0.41 -0.17 0.00 0.00 175.17 176.64 3ipm n THR 39 N 0.13 -0.23 -2.46 1.71 -1.04 -1.26 -0.28 114.28 110.86 3ipm n THR 39 Ca 0.01 1.14 -0.12 0.00 -2.04 0.00 0.00 64.05 63.05 3ipm n THR 39 Cb 0.58 -1.76 0.03 0.00 -1.82 0.00 0.00 70.33 67.36 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 -4.44 1.99 -3.72 -1.42 4.01 -1.26 -2.59 117.16 109.73 3ipm n TYR 40 Ca 0.17 -2.23 -0.14 0.00 -0.16 0.00 0.00 57.90 55.54 3ipm n TYR 40 Cb 0.56 -0.28 -0.09 0.00 -0.31 0.00 0.00 39.34 39.22 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 -4.19 0.03 0.36 -0.72 2.01 0.61 -1.83 115.64 111.92 3ipm s THR 41 Ca 0.38 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.15 3ipm s THR 41 Cb 0.37 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 3ipm s THR 41 CO -0.01 -0.16 0.21 -0.83 -0.69 0.00 0.00 174.62 173.14 3ipm s GLY 42 N -0.89 2.44 -0.23 4.40 0.00 0.14 -1.74 107.32 111.43 3ipm s GLY 42 Ca -0.10 -1.66 -0.26 0.00 0.00 0.00 0.00 44.72 42.70 3ipm s GLY 42 CO 0.04 -1.63 0.74 -0.29 0.00 0.00 0.00 173.10 171.96 3ipm s MET 43 N -3.59 0.84 -0.26 2.90 1.75 -0.21 -2.64 119.30 118.10 3ipm s MET 43 Ca 0.33 0.83 0.03 0.00 -1.25 0.00 0.00 55.69 55.62 3ipm s MET 43 Cb 0.02 0.41 0.06 0.00 2.84 0.00 0.00 34.83 38.16 3ipm s MET 43 CO 0.21 -0.14 -0.11 0.95 -0.65 0.00 0.00 175.02 175.28 3ipm s THR 44 N 0.08 2.17 0.80 10.11 -4.23 -0.53 -2.05 115.64 122.00 3ipm s THR 44 Ca -0.02 -1.60 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 3ipm s THR 44 Cb -0.04 -2.26 0.07 0.00 1.34 0.00 0.00 72.50 71.61 3ipm s THR 44 CO 0.02 -0.00 1.10 0.27 -0.54 0.00 0.00 174.62 175.47 3ipm s ILE 45 N 1.11 2.97 0.00 2.99 -5.25 -1.09 -2.45 121.20 119.48 3ipm s ILE 45 Ca -0.08 0.31 0.00 0.00 -0.99 0.00 0.00 60.65 59.89 3ipm s ILE 45 Cb -0.20 -3.08 0.00 0.00 2.95 0.00 0.00 42.46 42.14 3ipm s ILE 45 CO -0.05 -0.41 0.00 0.00 -1.79 0.00 0.00 174.94 172.68 3ipm n ALA 46 N -3.44 0.00 0.00 2.27 0.00 -1.20 -4.92 120.51 113.22 3ipm n ALA 46 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3ipm n ALA 46 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3ipm n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ipm n GLY 47 N 0.00 0.75 3.64 0.00 0.00 -1.26 -2.21 105.19 106.10 3ipm n GLY 47 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.99 118.68 121.95 3ipm s LEU 48 Ca 0.00 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.86 3ipm s LEU 48 Cb 0.00 -3.17 0.00 0.00 0.50 0.00 0.00 46.19 43.52 3ipm s LEU 48 CO 0.00 -0.55 0.69 0.52 -1.32 0.00 0.00 176.35 175.70 3ipm n VAL 49 N 5.34 0.00 0.00 1.68 0.31 -1.26 -1.77 118.33 122.63 3ipm n VAL 49 Ca 0.05 1.19 0.00 0.00 -0.01 0.00 0.00 64.34 65.58 3ipm n VAL 49 Cb 0.48 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 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 -0.93 -2.51 0.24 2.92 0.00 -1.26 -1.62 105.19 102.02 3ipm n GLY 50 Ca 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.03 -0.60 -0.42 1.61 9.92 -1.23 -1.12 116.55 123.69 3ipm n ASP 51 Ca 0.00 1.22 -0.11 0.00 -0.53 0.00 0.00 54.79 55.37 3ipm n ASP 51 Cb 0.00 -0.24 -0.10 0.00 -0.64 0.00 0.00 41.12 40.14 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 -3.24 -0.63 -0.07 2.24 0.00 -0.64 -1.23 120.51 116.94 3ipm n ALA 52 Ca 0.01 0.84 -0.07 0.00 0.00 0.00 0.00 53.44 54.22 3ipm n ALA 52 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 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 0.06 -0.94 0.00 4.20 -0.26 -0.38 115.11 117.80 3ipm h GLN 53 Ca 0.16 -0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.02 3ipm h GLN 53 Cb 0.41 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.09 3ipm h GLN 53 CO -0.93 0.04 0.60 0.28 -0.67 0.00 0.00 178.83 178.15 3ipm h VAL 54 N 0.06 0.81 0.47 -0.54 2.07 -0.65 -0.83 116.25 117.64 3ipm h VAL 54 Ca 0.13 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3ipm h VAL 54 Cb 0.17 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3ipm h VAL 54 CO -0.23 0.13 -0.23 -0.07 0.02 0.00 0.00 177.57 177.20 3ipm h LEU 55 N 0.74 -0.53 -0.82 2.57 3.38 0.23 0.61 115.31 121.48 3ipm h LEU 55 Ca 0.48 -0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.51 3ipm h LEU 55 Cb 0.75 0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.50 3ipm h LEU 55 CO -0.25 -0.19 -0.32 0.58 0.09 0.00 0.00 178.44 178.36 3ipm h VAL 56 N -0.92 0.10 0.04 1.22 2.07 0.03 0.45 116.25 119.24 3ipm h VAL 56 Ca -0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3ipm h VAL 56 Cb 0.58 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3ipm h VAL 56 CO 0.11 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 177.71 3ipm h ARG 57 N -0.05 -0.05 -0.83 1.57 3.08 -1.14 0.43 114.38 117.39 3ipm h ARG 57 Ca 0.33 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.60 3ipm h ARG 57 Cb 0.59 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 3ipm h ARG 57 CO -0.86 0.05 0.57 1.88 -1.07 0.00 0.00 179.97 180.54 3ipm h TYR 58 N -0.14 0.23 0.00 3.04 -1.99 0.10 -2.20 116.97 116.01 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 0.13 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 38.78 3ipm h TYR 58 CO -0.05 0.06 0.00 -1.33 -0.00 0.00 0.00 178.16 176.85 3ipm n MET 59 N -4.39 0.00 -0.19 4.88 2.81 0.14 -3.16 117.12 117.21 3ipm n MET 59 Ca 0.17 0.27 0.19 0.00 -1.81 0.00 0.00 57.70 56.51 3ipm n MET 59 Cb 0.78 -0.81 0.35 0.00 -0.71 0.00 0.00 33.22 32.83 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 -1.30 -0.04 0.06 0.03 5.02 0.14 0.19 118.16 122.26 3ipm n LYS 60 Ca 0.00 0.83 -0.13 0.00 -2.02 0.00 0.00 58.31 56.99 3ipm n LYS 60 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.44 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 1.20 -0.15 -0.63 7.82 0.00 -1.55 -2.54 119.26 123.41 3ipm h ALA 61 Ca 0.50 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 3ipm h ALA 61 Cb 1.32 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3ipm h ALA 61 CO -0.47 -0.41 0.07 1.49 0.00 0.00 0.00 179.25 179.93 3ipm h GLU 62 N -0.49 1.07 -0.33 0.00 4.81 0.22 -0.83 114.58 119.03 3ipm h GLU 62 Ca -0.01 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3ipm h GLU 62 Cb 0.40 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3ipm h GLU 62 CO 0.02 1.01 0.16 -0.07 -0.73 0.00 0.00 179.01 179.40 3ipm h LEU 63 N 0.98 0.44 -0.29 1.64 -0.00 -1.37 -2.48 115.31 114.22 3ipm h LEU 63 Ca 0.19 -0.13 0.03 0.00 -0.00 0.00 0.00 57.88 57.97 3ipm h LEU 63 Cb 0.48 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.00 3ipm h LEU 63 CO 0.02 0.44 0.12 -0.08 -0.00 0.00 0.00 178.44 178.94 3ipm h GLU 64 N 0.40 0.26 0.06 1.13 4.81 -1.27 -0.16 114.58 119.82 3ipm h GLU 64 Ca 0.11 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3ipm h GLU 64 Cb 0.12 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 3ipm h GLU 64 CO -0.01 0.17 -0.51 1.25 -0.73 0.00 0.00 179.01 179.18 3ipm h LEU 65 N 0.27 -1.55 -0.09 1.64 5.85 -0.91 0.47 115.31 120.99 3ipm h LEU 65 Ca 0.13 0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.03 3ipm h LEU 65 Cb 0.07 0.58 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3ipm h LEU 65 CO -0.11 -0.52 -0.29 0.22 -0.34 0.00 0.00 178.44 177.41 3ipm h TYR 66 N -0.69 -0.85 -0.84 1.25 5.03 -1.27 -1.94 116.97 117.66 3ipm h TYR 66 Ca 0.00 0.03 0.19 0.00 2.58 0.00 0.00 58.73 61.54 3ipm h TYR 66 Cb 0.71 0.38 -0.15 0.00 1.55 0.00 0.00 36.73 39.22 3ipm h TYR 66 CO -0.48 -0.28 -0.07 -0.09 -1.32 0.00 0.00 178.16 175.93 3ipm h ARG 67 N -0.29 0.05 -0.85 1.82 1.12 -0.62 0.56 114.38 116.15 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 0.35 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.26 3ipm h ARG 67 CO -0.24 0.03 0.51 -0.07 -3.11 0.00 0.00 179.97 177.09 3ipm h LEU 68 N 0.05 1.03 0.00 3.80 -0.00 0.60 0.38 115.31 121.17 3ipm h LEU 68 Ca 0.45 -0.07 -0.22 0.00 -0.00 0.00 0.00 57.88 58.05 3ipm h LEU 68 Cb 0.80 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.16 3ipm h LEU 68 CO -0.80 0.79 -1.77 0.00 -0.00 0.00 0.00 178.44 176.67 3ipm n GLN 69 N -4.42 0.64 0.00 1.13 10.64 -0.47 -4.33 117.38 120.57 3ipm n GLN 69 Ca 0.09 0.13 0.11 0.00 -1.83 0.00 0.00 57.00 55.50 3ipm n GLN 69 Cb 0.06 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 27.74 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 -2.81 0.06 -1.96 2.61 5.12 0.18 -4.98 116.66 114.89 3ipm n ARG 70 Ca -0.16 -0.01 -0.21 0.00 -1.93 0.00 0.00 57.85 55.54 3ipm n ARG 70 Cb 0.92 -1.51 -0.05 0.00 -1.16 0.00 0.00 32.46 30.66 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 -1.59 -1.56 -3.69 5.56 1.74 0.12 -4.96 116.66 112.28 3ipm n ARG 71 Ca 0.04 1.13 -0.11 0.00 -0.77 0.00 0.00 57.85 58.14 3ipm n ARG 71 Cb 0.35 -5.64 -0.10 0.00 -1.02 0.00 0.00 32.46 26.06 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 -2.88 -0.01 1.08 1.55 -7.23 -1.25 -5.08 120.40 106.58 3ipm s VAL 72 Ca 0.00 0.05 -0.15 0.00 -1.81 0.00 0.00 61.98 60.06 3ipm s VAL 72 Cb 0.00 -0.69 0.14 0.00 0.56 0.00 0.00 36.38 36.39 3ipm s VAL 72 CO 0.00 0.02 0.41 0.59 -0.31 0.00 0.00 175.10 175.81 3ipm n ASN 73 N 3.77 -1.96 -4.83 4.85 4.13 -1.26 -4.35 115.26 115.61 3ipm n ASN 73 Ca -0.19 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.70 3ipm n ASN 73 Cb 0.56 -1.12 -0.07 0.00 -1.54 0.00 0.00 39.78 37.62 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 -3.80 3.74 0.17 3.52 -2.45 -1.26 -4.98 119.30 114.24 3ipm s MET 74 Ca 0.60 -0.05 -0.32 0.00 -1.25 0.00 0.00 55.69 54.66 3ipm s MET 74 Cb -0.18 -3.26 -0.16 0.00 1.25 0.00 0.00 34.83 32.48 3ipm s MET 74 CO 0.66 0.62 1.08 -2.30 1.05 0.00 0.00 175.02 176.12 3ipm n PRO 75 N 2.43 0.98 0.08 4.11 -0.02 -1.26 -4.78 135.00 136.54 3ipm n PRO 75 Ca -0.18 0.35 0.18 0.00 -2.02 0.00 0.00 63.50 61.83 3ipm n PRO 75 Cb 0.54 -1.78 0.71 0.00 -0.02 0.00 0.00 33.50 32.94 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 2.46 0.70 0.00 4.25 1.08 -1.92 -1.36 117.51 122.71 3ipm h ILE 76 Ca -0.42 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 63.95 3ipm h ILE 76 Cb 1.36 0.78 0.01 0.00 -3.07 0.00 0.00 36.82 35.90 3ipm h ILE 76 CO 0.67 0.00 -0.40 -0.08 -0.69 0.00 0.00 178.15 177.65 3ipm h GLU 77 N 0.00 0.26 -0.03 2.37 4.81 -1.97 -2.87 114.58 117.16 3ipm h GLU 77 Ca 0.19 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3ipm h GLU 77 Cb 0.80 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 3ipm h GLU 77 CO -0.00 1.00 0.02 0.00 -0.73 0.00 0.00 179.01 179.31 3ipm h ALA 78 N 0.27 1.85 -0.29 2.92 0.00 -1.67 0.35 119.26 122.69 3ipm h ALA 78 Ca -0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3ipm h ALA 78 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ipm h ALA 78 CO 0.08 -0.04 -0.28 0.28 0.00 0.00 0.00 179.25 179.28 3ipm h VAL 79 N 0.00 1.30 -0.16 0.00 2.07 -1.27 0.79 116.25 118.98 3ipm h VAL 79 Ca 0.01 -1.45 -0.18 0.00 0.82 0.00 0.00 66.70 65.90 3ipm h VAL 79 Cb 0.06 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3ipm h VAL 79 CO -0.00 0.46 -0.64 0.00 0.02 0.00 0.00 177.57 177.41 3ipm h ALA 80 N 0.71 0.58 -0.25 1.67 0.00 -0.91 -2.09 119.26 118.97 3ipm h ALA 80 Ca 0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3ipm h ALA 80 Cb 0.85 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3ipm h ALA 80 CO 0.07 0.71 0.03 1.15 0.00 0.00 0.00 179.25 181.21 3ipm h THR 81 N 0.42 1.23 0.03 0.00 2.02 -0.31 0.55 112.91 116.86 3ipm h THR 81 Ca -0.01 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.39 3ipm h THR 81 Cb 1.21 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 3ipm h THR 81 CO 0.12 0.25 -0.22 0.25 0.37 0.00 0.00 175.52 176.29 3ipm h LEU 82 N 0.23 -0.65 -0.70 2.58 5.85 -0.78 0.80 115.31 122.64 3ipm h LEU 82 Ca 0.08 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3ipm h LEU 82 Cb 0.35 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 3ipm h LEU 82 CO 0.01 -0.30 0.41 0.25 -0.34 0.00 0.00 178.44 178.47 3ipm h LEU 83 N -0.37 0.65 -0.09 2.25 6.46 -1.23 -1.48 115.31 121.50 3ipm h LEU 83 Ca 0.05 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 3ipm h LEU 83 Cb 0.44 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 3ipm h LEU 83 CO -0.19 0.43 -0.27 -1.28 -0.62 0.00 0.00 178.44 176.52 3ipm h SER 84 N 0.78 -0.85 -0.54 1.25 0.87 0.13 -1.28 113.55 113.90 3ipm h SER 84 Ca 0.30 0.10 0.11 0.00 -1.23 0.00 0.00 61.79 61.07 3ipm h SER 84 Cb 0.12 0.34 -0.10 0.00 -0.44 0.00 0.00 62.40 62.31 3ipm h SER 84 CO -0.15 -0.23 -0.16 0.78 -0.53 0.00 0.00 176.83 176.54 3ipm h ASN 85 N -0.27 -0.57 -0.89 6.23 2.35 -0.51 -1.44 115.58 120.48 3ipm h ASN 85 Ca 0.02 0.17 0.09 0.00 -0.55 0.00 0.00 56.30 56.03 3ipm h ASN 85 Cb 0.32 0.36 -0.07 0.00 0.05 0.00 0.00 38.32 38.98 3ipm h ASN 85 CO -0.23 -0.20 0.54 0.24 -1.65 0.00 0.00 177.43 176.14 3ipm h MET 86 N -0.03 0.90 -0.28 0.81 2.86 -0.87 0.09 114.93 118.42 3ipm h MET 86 Ca 0.26 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.71 3ipm h MET 86 Cb 0.42 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3ipm h MET 86 CO -0.57 0.60 -0.37 -0.07 1.06 0.00 0.00 176.91 177.56 3ipm h LEU 87 N 0.93 0.66 0.09 1.22 3.38 -0.22 -3.26 115.31 118.11 3ipm h LEU 87 Ca 0.42 -0.28 -0.28 0.00 0.09 0.00 0.00 57.88 57.83 3ipm h LEU 87 Cb 0.32 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.89 3ipm h LEU 87 CO -0.22 0.96 -1.23 -1.13 0.09 0.00 0.00 178.44 176.92 3ipm h ASN 88 N 0.52 0.53 0.00 -0.43 -0.73 -0.93 -3.11 115.58 111.44 3ipm h ASN 88 Ca 0.05 -0.54 0.00 0.00 1.87 0.00 0.00 56.30 57.68 3ipm h ASN 88 Cb 0.88 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.29 3ipm h ASN 88 CO 0.08 1.40 0.33 0.00 -0.37 0.00 0.00 177.43 178.86 3ipm n GLN 89 N -3.61 0.06 -2.76 6.67 6.02 -0.02 -0.59 117.38 123.14 3ipm n GLN 89 Ca -0.10 0.47 -0.10 0.00 -0.01 0.00 0.00 57.00 57.26 3ipm n GLN 89 Cb 1.00 -2.01 0.05 0.00 1.02 0.00 0.00 30.24 30.31 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 -1.79 0.42 0.38 5.09 0.24 -1.22 -4.94 118.33 116.51 3ipm n VAL 90 Ca -0.01 -2.66 0.13 0.00 -2.04 0.00 0.00 64.34 59.77 3ipm n VAL 90 Cb 0.34 0.71 0.53 0.00 -1.47 0.00 0.00 33.84 33.96 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 2.70 0.00 0.00 7.34 2.10 -0.78 -1.80 116.57 126.13 3ipm h LYS 91 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 3ipm h LYS 91 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3ipm h LYS 91 CO 0.29 0.00 -0.96 0.66 -2.00 0.00 0.00 179.45 177.44 3ipm n TYR 92 N -2.47 0.79 -2.99 0.07 0.53 -1.26 -3.96 117.16 107.87 3ipm n TYR 92 Ca 0.02 0.23 -0.22 0.00 -1.02 0.00 0.00 57.90 56.91 3ipm n TYR 92 Cb 0.26 -0.83 -0.03 0.00 -1.03 0.00 0.00 39.34 37.71 3ipm n TYR 92 CO 0.00 0.00 0.00 -1.33 -1.02 0.00 0.00 176.86 174.51 3ipm n MET 93 N -2.48 2.14 -0.05 -0.72 2.81 -0.99 -5.10 117.12 112.73 3ipm n MET 93 Ca 0.01 -4.09 -0.05 0.00 -1.81 0.00 0.00 57.70 51.75 3ipm n MET 93 Cb 0.52 -1.94 0.05 0.00 -0.71 0.00 0.00 33.22 31.13 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 -0.03 -2.40 -4.10 0.03 -0.04 -0.71 -4.87 135.00 122.89 3ipm n PRO 94 Ca 0.27 -0.26 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 3ipm n PRO 94 Cb 0.56 -0.33 -0.16 0.00 -0.04 0.00 0.00 33.50 33.53 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 -1.21 3.00 0.00 0.54 1.51 -1.26 -4.98 117.35 114.95 3ipm s TYR 95 Ca 0.12 -1.95 -0.00 0.00 -1.01 0.00 0.00 57.07 54.22 3ipm s TYR 95 Cb -0.02 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 3ipm s TYR 95 CO 0.10 -0.84 0.58 -1.33 -1.11 0.00 0.00 175.55 172.94 3ipm n MET 96 N 4.54 0.23 -4.21 -0.62 2.81 -1.26 -4.69 117.12 113.91 3ipm n MET 96 Ca -0.18 -0.06 -0.28 0.00 -1.81 0.00 0.00 57.70 55.38 3ipm n MET 96 Cb 0.46 -1.47 -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 1.99 1.65 -0.29 2.03 -7.23 -1.26 0.82 120.40 118.11 3ipm s VAL 97 Ca 0.04 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.52 3ipm s VAL 97 Cb 0.02 -2.35 0.20 0.00 0.56 0.00 0.00 36.38 34.81 3ipm s VAL 97 CO 0.00 0.00 0.73 -1.58 -0.31 0.00 0.00 175.10 173.94 3ipm s GLN 98 N -4.07 0.43 0.33 4.82 0.74 -0.94 -4.02 119.66 116.95 3ipm s GLN 98 Ca 0.27 0.42 0.08 0.00 0.05 0.00 0.00 55.36 56.18 3ipm s GLN 98 Cb 0.00 0.19 -0.04 0.00 1.10 0.00 0.00 33.01 34.27 3ipm s GLN 98 CO 0.16 -0.81 0.16 -0.48 -0.55 0.00 0.00 175.29 173.77 3ipm s LEU 99 N 2.87 3.35 -0.10 3.68 0.05 -1.12 -3.22 118.68 124.19 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 -0.07 -1.86 0.01 0.00 -2.05 0.00 0.00 46.19 42.22 3ipm s LEU 99 CO -0.25 -0.26 -0.14 -0.76 -0.55 0.00 0.00 176.35 174.38 3ipm s LEU 100 N -3.86 1.68 -0.35 1.48 1.43 -1.03 -1.72 118.68 116.32 3ipm s LEU 100 Ca 0.37 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3ipm s LEU 100 Cb -0.04 -1.02 0.06 0.00 0.03 0.00 0.00 46.19 45.23 3ipm s LEU 100 CO 0.23 0.02 0.10 -0.69 0.23 0.00 0.00 176.35 176.24 3ipm s VAL 101 N 0.92 3.43 0.07 -1.59 1.01 -0.17 -1.45 120.40 122.63 3ipm s VAL 101 Ca -0.08 -1.45 0.09 0.00 0.00 0.00 0.00 61.98 60.53 3ipm s VAL 101 Cb -0.15 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3ipm s VAL 101 CO -0.00 -0.30 -0.25 -0.83 0.00 0.00 0.00 175.10 173.72 3ipm s GLY 102 N 1.52 1.39 0.00 4.51 0.00 -1.08 -1.12 107.32 112.54 3ipm s GLY 102 Ca -0.00 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3ipm s GLY 102 CO -0.00 -1.22 0.00 0.61 0.00 0.00 0.00 173.10 172.49 3ipm n GLY 103 N 1.47 -1.82 2.98 0.20 0.00 -1.03 0.28 105.19 107.27 3ipm n GLY 103 Ca -0.17 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.04 1.02 0.00 -0.61 1.01 -0.76 -1.26 121.20 118.57 3ipm s ILE 104 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 3ipm s ILE 104 Cb 0.00 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 3ipm s ILE 104 CO 0.00 0.34 -0.03 -0.90 0.00 0.00 0.00 174.94 174.35 3ipm n ASP 105 N 4.13 0.41 0.00 3.58 5.68 -1.26 -4.82 116.55 124.27 3ipm n ASP 105 Ca -0.20 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 3ipm n ASP 105 Cb 0.51 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 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 -2.89 0.00 -3.79 2.12 -2.24 -1.26 -5.04 114.28 101.18 3ipm n THR 106 Ca -0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 3ipm n THR 106 Cb 0.05 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.53 -0.20 6.98 0.00 -1.26 -5.08 121.76 119.72 3ipm s ALA 107 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 3ipm s ALA 107 Cb 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 3ipm s ALA 107 CO 0.00 -0.46 1.32 -1.25 0.00 0.00 0.00 175.76 175.37 3ipm s PRO 108 N -3.05 4.11 0.32 0.00 0.04 -1.26 -4.44 135.00 130.72 3ipm s PRO 108 Ca -0.01 1.57 0.10 0.00 0.04 0.00 0.00 61.00 62.70 3ipm s PRO 108 Cb 0.01 -3.83 -0.06 0.00 0.04 0.00 0.00 34.50 30.66 3ipm s PRO 108 CO -0.07 -0.87 -0.10 -1.01 0.04 0.00 0.00 177.00 175.00 3ipm s HIS 109 N 3.89 2.42 -0.21 0.56 3.76 -0.39 -4.83 115.29 120.49 3ipm s HIS 109 Ca 0.57 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 55.00 3ipm s HIS 109 Cb -0.21 -1.28 0.10 0.00 1.11 0.00 0.00 32.58 32.30 3ipm s HIS 109 CO 0.19 0.60 0.44 0.08 -0.85 0.00 0.00 174.74 175.20 3ipm s VAL 110 N -2.54 -0.69 -0.05 -0.90 1.01 -1.26 -2.46 120.40 113.51 3ipm s VAL 110 Ca 0.32 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.49 3ipm s VAL 110 Cb -0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 3ipm s VAL 110 CO 0.17 0.05 -0.23 -0.36 0.00 0.00 0.00 175.10 174.73 3ipm s PHE 111 N 2.64 2.47 -0.25 5.22 0.40 -0.28 -2.04 117.98 126.14 3ipm s PHE 111 Ca -0.00 -0.50 -0.04 0.00 -0.60 0.00 0.00 56.93 55.78 3ipm s PHE 111 Cb -0.12 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 41.83 3ipm s PHE 111 CO -0.14 -0.07 -0.01 0.45 0.70 0.00 0.00 175.22 176.15 3ipm s SER 112 N -0.42 4.57 -0.07 1.36 0.15 -0.90 -1.00 113.70 117.39 3ipm s SER 112 Ca 0.04 -0.63 0.04 0.00 0.70 0.00 0.00 55.95 56.10 3ipm s SER 112 Cb -0.12 -1.76 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 3ipm s SER 112 CO 0.01 -0.10 -0.18 -0.63 1.20 0.00 0.00 173.24 173.54 3ipm s ILE 113 N 1.44 2.73 0.52 6.45 1.01 -0.70 -1.76 121.20 130.89 3ipm s ILE 113 Ca 0.03 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.94 3ipm s ILE 113 Cb -0.16 -2.06 0.05 0.00 0.01 0.00 0.00 42.46 40.29 3ipm s ILE 113 CO -0.02 0.57 0.59 1.51 0.00 0.00 0.00 174.94 177.59 3ipm s ASP 114 N -0.30 5.03 0.23 3.58 1.47 -1.14 -2.79 116.67 122.75 3ipm s ASP 114 Ca 0.02 -0.89 0.14 0.00 1.18 0.00 0.00 52.55 53.00 3ipm s ASP 114 Cb -0.13 0.07 0.78 0.00 -0.34 0.00 0.00 42.92 43.30 3ipm s ASP 114 CO 0.03 -1.09 1.41 0.00 0.68 0.00 0.00 175.17 176.20 3ipm n ALA 115 N -1.95 0.96 0.03 2.11 0.00 -1.26 -1.45 120.51 118.95 3ipm n ALA 115 Ca 0.08 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 3ipm n ALA 115 Cb 0.62 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 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 1.85 0.49 0.00 0.00 0.00 -1.92 -3.43 119.26 116.26 3ipm h ALA 116 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.71 3ipm h ALA 116 Cb 0.10 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ipm h ALA 116 CO 0.00 1.35 0.00 0.41 0.00 0.00 0.00 179.25 181.01 3ipm n GLY 117 N 1.55 0.85 3.62 0.00 0.00 -0.53 -2.82 105.19 107.86 3ipm n GLY 117 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.79 1.27 -0.19 -0.02 0.00 -1.26 -4.27 107.32 102.06 3ipm s GLY 118 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 44.72 44.70 3ipm s GLY 118 CO 0.00 2.67 -0.01 -1.35 0.00 0.00 0.00 173.10 174.41 3ipm s SER 119 N 3.27 4.82 -0.07 1.64 1.04 -1.26 -2.88 113.70 120.26 3ipm s SER 119 Ca 0.59 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.87 3ipm s SER 119 Cb -0.16 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.15 3ipm s SER 119 CO 0.27 0.09 -0.17 -0.69 0.98 0.00 0.00 173.24 173.72 3ipm s VAL 120 N 0.84 1.52 0.23 5.02 1.01 -0.72 -4.93 120.40 123.36 3ipm s VAL 120 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 3ipm s VAL 120 Cb -0.14 -1.33 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 3ipm s VAL 120 CO 0.02 0.44 0.76 -0.70 0.00 0.00 0.00 175.10 175.61 3ipm s GLU 121 N 0.36 4.32 0.17 2.72 2.12 -1.26 -2.12 118.70 125.02 3ipm s GLU 121 Ca -0.12 0.95 -0.00 0.00 0.36 0.00 0.00 54.97 56.16 3ipm s GLU 121 Cb -0.15 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.33 3ipm s GLU 121 CO 0.05 0.40 0.22 -3.47 -0.54 0.00 0.00 175.26 171.92 3ipm n ASP 122 N 0.79 -0.61 -0.03 -1.70 2.03 -0.86 -5.01 116.55 111.16 3ipm n ASP 122 Ca -0.02 -1.95 -0.09 0.00 0.52 0.00 0.00 54.79 53.25 3ipm n ASP 122 Cb 0.51 1.17 -0.08 0.00 -0.72 0.00 0.00 41.12 42.00 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 1.07 -4.06 5.18 2.04 -1.92 -3.39 117.51 117.93 3ipm h ILE 123 Ca -0.13 -1.65 -0.19 0.00 1.00 0.00 0.00 64.86 63.89 3ipm h ILE 123 Cb 0.58 1.97 -0.15 0.00 -0.74 0.00 0.00 36.82 38.48 3ipm h ILE 123 CO 0.18 0.34 -0.68 -0.72 0.00 0.00 0.00 178.15 177.27 3ipm s TYR 124 N -2.40 0.79 -0.25 1.37 -0.85 -1.26 -1.76 117.35 113.00 3ipm s TYR 124 Ca -0.12 -1.03 -0.12 0.00 -0.52 0.00 0.00 57.07 55.27 3ipm s TYR 124 Cb -0.01 -0.49 0.08 0.00 0.38 0.00 0.00 41.96 41.93 3ipm s TYR 124 CO 0.45 -0.30 0.58 0.00 -1.52 0.00 0.00 175.55 174.77 3ipm s ALA 125 N -3.80 -1.62 -0.29 9.51 0.00 -1.06 -4.98 121.76 119.52 3ipm s ALA 125 Ca 0.13 2.09 -0.02 0.00 0.00 0.00 0.00 51.96 54.16 3ipm s ALA 125 Cb 0.07 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.87 3ipm s ALA 125 CO -0.05 -0.49 -0.01 0.45 0.00 0.00 0.00 175.76 175.67 3ipm s SER 126 N 1.90 4.77 -0.14 0.00 0.15 -1.26 -1.75 113.70 117.37 3ipm s SER 126 Ca -0.08 -1.11 -0.08 0.00 0.70 0.00 0.00 55.95 55.38 3ipm s SER 126 Cb -0.08 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 3ipm s SER 126 CO -0.17 -0.22 0.13 0.42 1.20 0.00 0.00 173.24 174.60 3ipm s THR 127 N 1.30 5.43 0.00 6.45 -4.23 -0.69 -4.72 115.64 119.17 3ipm s THR 127 Ca -0.03 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 3ipm s THR 127 Cb -0.19 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.26 3ipm s THR 127 CO -0.02 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 3ipm n GLY 128 N 2.44 3.80 0.37 3.99 0.00 -1.26 -0.74 105.19 113.79 3ipm n GLY 128 Ca -0.19 -1.71 0.18 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.17 1.61 4.64 -1.97 0.22 113.55 117.88 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 -0.05 0.61 -0.87 0.00 0.00 176.83 176.52 3ipm n GLY 130 N -1.39 4.55 0.15 -0.77 0.00 -1.26 -4.66 105.19 101.81 3ipm n GLY 130 Ca 0.04 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.94 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 1.01 0.00 0.10 1.61 4.64 -1.22 -3.08 113.55 116.61 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 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3ipm h SER 131 CO 0.16 0.56 -0.03 -0.65 -0.87 0.00 0.00 176.83 176.00 3ipm h PRO 132 N 0.00 0.00 0.07 4.77 0.11 -1.83 0.45 132.00 135.58 3ipm h PRO 132 Ca -0.01 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 3ipm h PRO 132 Cb 1.16 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3ipm h PRO 132 CO 0.07 0.03 -0.63 0.74 -0.21 0.00 0.00 178.00 178.00 3ipm h PHE 133 N 0.00 0.28 -0.40 0.65 0.04 -1.91 -2.44 116.94 113.16 3ipm h PHE 133 Ca -0.00 -0.20 0.03 0.00 2.80 0.00 0.00 57.97 60.60 3ipm h PHE 133 Cb 0.09 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3ipm h PHE 133 CO 0.00 1.25 0.27 0.28 -0.60 0.00 0.00 178.31 179.50 3ipm h VAL 134 N -0.65 1.02 0.00 -0.55 2.07 -1.26 0.92 116.25 117.80 3ipm h VAL 134 Ca -0.13 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3ipm h VAL 134 Cb 1.39 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3ipm h VAL 134 CO 0.05 0.08 0.00 -1.22 0.02 0.00 0.00 177.57 176.50 3ipm n TYR 135 N -4.48 0.59 -0.06 1.57 4.01 0.15 -1.80 117.16 117.15 3ipm n TYR 135 Ca 0.04 0.18 -0.19 0.00 -0.16 0.00 0.00 57.90 57.78 3ipm n TYR 135 Cb 0.16 -0.80 -0.13 0.00 -0.31 0.00 0.00 39.34 38.27 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 4.22 0.08 0.95 2.72 0.00 0.13 -3.16 103.07 108.00 3ipm h GLY 136 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3ipm h GLY 136 CO 0.00 0.17 -0.35 -2.08 0.00 0.00 0.00 176.54 174.28 3ipm h VAL 137 N -0.82 0.24 -0.93 4.60 2.07 -0.87 -3.16 116.25 117.38 3ipm h VAL 137 Ca -0.19 -0.09 0.21 0.00 0.82 0.00 0.00 66.70 67.46 3ipm h VAL 137 Cb 1.30 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 3ipm h VAL 137 CO -0.05 0.01 0.61 -0.07 0.02 0.00 0.00 177.57 178.09 3ipm h LEU 138 N -1.05 0.41 -0.73 2.57 3.38 -1.53 -0.16 115.31 118.19 3ipm h LEU 138 Ca -0.10 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ipm h LEU 138 Cb 0.77 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.50 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 -4.52 0.91 -0.35 1.13 -0.58 -1.19 -1.96 120.64 114.08 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 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 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 -0.11 0.00 0.00 1.62 2.88 -0.14 -4.96 113.62 112.92 3ipm n SER 140 Ca 0.00 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.45 3ipm n SER 140 Cb 0.17 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 0.87 -3.15 -1.46 6.02 -0.82 -5.05 117.38 113.78 3ipm n GLN 141 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 3ipm n GLN 141 Cb 0.52 -0.07 -0.06 0.00 1.02 0.00 0.00 30.24 31.65 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 3.67 -0.12 1.08 5.04 -0.83 -5.00 117.35 121.19 3ipm s TYR 142 Ca 0.00 1.33 -0.06 0.00 -2.44 0.00 0.00 57.07 55.90 3ipm s TYR 142 Cb 0.00 -2.57 0.05 0.00 0.35 0.00 0.00 41.96 39.79 3ipm s TYR 142 CO 0.00 0.39 0.29 0.45 -1.34 0.00 0.00 175.55 175.33 3ipm s SER 143 N -1.58 -0.26 0.36 4.32 0.15 -1.26 -4.99 113.70 110.43 3ipm s SER 143 Ca 0.40 0.62 0.16 0.00 0.70 0.00 0.00 55.95 57.84 3ipm s SER 143 Cb -0.17 0.54 1.09 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 7.31 0.35 0.08 5.44 5.08 -1.97 -2.46 114.58 128.40 3ipm h GLU 144 Ca -0.37 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3ipm h GLU 144 Cb 1.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3ipm h GLU 144 CO 0.33 0.23 -0.04 0.87 -1.00 0.00 0.00 179.01 179.40 3ipm h LYS 145 N 0.36 -0.10 0.00 2.33 1.57 -1.97 -3.41 116.57 115.34 3ipm h LYS 145 Ca 0.70 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.49 3ipm h LYS 145 Cb 1.67 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.00 3ipm h LYS 145 CO -0.50 -0.05 0.00 -1.33 -0.57 0.00 0.00 179.45 176.99 3ipm n MET 146 N -5.13 0.00 -2.05 3.15 2.81 -0.93 -4.87 117.12 110.11 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 0.08 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.60 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 4.55 0.42 2.03 -4.23 -1.26 -4.80 115.64 112.34 3ipm s THR 147 Ca 0.00 0.66 0.16 0.00 -1.18 0.00 0.00 61.69 61.32 3ipm s THR 147 Cb 0.00 -3.80 0.36 0.00 1.34 0.00 0.00 72.50 70.40 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 -0.25 0.74 0.05 2.29 2.07 -1.96 -0.23 116.25 118.97 3ipm h VAL 148 Ca -0.45 -0.15 -0.30 0.00 0.82 0.00 0.00 66.70 66.62 3ipm h VAL 148 Cb 1.20 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3ipm h VAL 148 CO 0.62 0.08 -1.65 0.44 0.02 0.00 0.00 177.57 177.08 3ipm h ASP 149 N 0.44 0.18 0.23 0.57 3.32 -1.99 -3.16 116.42 116.01 3ipm h ASP 149 Ca 0.43 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3ipm h ASP 149 Cb 0.99 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 3ipm h ASP 149 CO -0.16 1.28 -0.15 -0.33 -1.72 0.00 0.00 179.24 178.16 3ipm h GLU 150 N 0.03 0.00 0.44 3.56 5.08 -1.68 -2.27 114.58 119.74 3ipm h GLU 150 Ca -0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3ipm h GLU 150 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 3ipm h GLU 150 CO 0.11 0.15 -0.21 0.78 -1.00 0.00 0.00 179.01 178.84 3ipm h GLY 151 N 0.61 -0.62 0.66 -3.84 0.00 -1.15 -0.94 103.07 97.80 3ipm h GLY 151 Ca -0.00 0.23 0.10 0.00 0.00 0.00 0.00 47.33 47.65 3ipm h GLY 151 CO 0.02 -0.23 0.58 -2.08 0.00 0.00 0.00 176.54 174.83 3ipm h VAL 152 N -1.07 0.16 0.00 4.60 2.07 -1.45 0.13 116.25 120.69 3ipm h VAL 152 Ca -0.06 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 3ipm h VAL 152 Cb 0.54 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3ipm h VAL 152 CO 0.10 0.00 -0.60 0.44 0.02 0.00 0.00 177.57 177.53 3ipm h ASP 153 N 0.00 0.00 -0.28 0.57 3.32 -1.27 -3.25 116.42 115.50 3ipm h ASP 153 Ca 0.16 -0.76 0.07 0.00 0.02 0.00 0.00 57.03 56.51 3ipm h ASP 153 Cb 1.31 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.78 3ipm h ASP 153 CO -0.00 1.23 -0.30 0.25 -1.72 0.00 0.00 179.24 178.71 3ipm h LEU 154 N -1.00 -0.96 -0.74 1.55 5.85 0.62 0.74 115.31 121.38 3ipm h LEU 154 Ca -0.17 0.16 0.16 0.00 0.84 0.00 0.00 57.88 58.88 3ipm h LEU 154 Cb 1.14 0.44 -0.11 0.00 0.37 0.00 0.00 40.66 42.50 3ipm h LEU 154 CO -0.10 -0.32 0.18 -0.37 -0.34 0.00 0.00 178.44 177.49 3ipm h VAL 155 N -0.29 0.51 -0.02 1.05 -1.51 -1.30 -1.52 116.25 113.18 3ipm h VAL 155 Ca 0.14 -0.09 -0.00 0.00 -1.23 0.00 0.00 66.70 65.52 3ipm h VAL 155 Cb 0.52 0.22 -0.00 0.00 -2.13 0.00 0.00 31.29 29.89 3ipm h VAL 155 CO -0.44 0.05 0.00 0.40 -1.23 0.00 0.00 177.57 176.35 3ipm h ILE 156 N 0.27 1.20 -1.04 7.19 2.04 -1.18 -2.57 117.51 123.41 3ipm h ILE 156 Ca 0.42 -0.60 0.30 0.00 1.00 0.00 0.00 64.86 65.98 3ipm h ILE 156 Cb 0.71 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 3ipm h ILE 156 CO -0.51 0.16 0.77 0.03 0.00 0.00 0.00 178.15 178.59 3ipm h ARG 157 N -0.22 0.00 0.00 2.37 3.08 0.07 -0.75 114.38 118.94 3ipm h ARG 157 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ipm h ARG 157 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3ipm h ARG 157 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3ipm n ALA 158 N -2.72 -0.09 0.13 0.04 0.00 -0.85 -2.92 120.51 114.09 3ipm n ALA 158 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.71 3ipm n ALA 158 Cb 1.12 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.85 3ipm n ALA 158 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3ipm n ILE 159 N -1.88 0.76 0.09 0.00 5.41 -1.04 0.63 119.36 123.33 3ipm n ILE 159 Ca 0.00 0.69 0.06 0.00 1.00 0.00 0.00 62.75 64.50 3ipm n ILE 159 Cb 0.00 -1.69 -0.02 0.00 -0.71 0.00 0.00 39.64 37.23 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 0.25 4.38 0.02 -1.22 -2.32 113.55 114.66 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 0.54 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 3ipm h SER 160 CO 0.00 0.29 -2.02 0.00 -1.14 0.00 0.00 176.83 173.95 3ipm n ALA 161 N -2.26 1.41 -0.11 3.77 0.00 0.20 -4.01 120.51 119.50 3ipm n ALA 161 Ca -0.03 -0.95 -0.08 0.00 0.00 0.00 0.00 53.44 52.37 3ipm n ALA 161 Cb 0.69 -0.56 -0.01 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 0.79 0.47 0.00 0.00 0.00 -0.72 0.12 119.26 119.91 3ipm h ALA 162 Ca -0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ipm h ALA 162 Cb 2.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3ipm h ALA 162 CO 0.05 -0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.87 3ipm n LYS 163 N -4.82 0.02 0.00 0.00 5.02 -0.87 -1.02 118.16 116.49 3ipm n LYS 163 Ca -0.00 0.31 0.12 0.00 -2.02 0.00 0.00 58.31 56.71 3ipm n LYS 163 Cb 0.03 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.33 1.00 0.00 1.97 1.13 0.41 -4.56 117.38 116.01 3ipm n GLN 164 Ca 0.01 -0.77 0.00 0.00 -1.94 0.00 0.00 57.00 54.30 3ipm n GLN 164 Cb 0.01 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.88 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 -0.33 0.89 -2.77 -1.09 5.12 -0.58 -5.01 116.66 112.89 3ipm n ARG 165 Ca 0.10 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.59 3ipm n ARG 165 Cb 0.42 -0.62 -0.03 0.00 -1.16 0.00 0.00 32.46 31.07 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 -1.53 6.31 0.19 0.55 2.15 -0.19 -4.88 116.67 119.27 3ipm s ASP 166 Ca 0.00 -1.17 0.08 0.00 0.43 0.00 0.00 52.55 51.89 3ipm s ASP 166 Cb 0.00 -2.46 0.41 0.00 -0.30 0.00 0.00 42.92 40.57 3ipm s ASP 166 CO 0.00 -1.45 1.09 -1.54 -0.17 0.00 0.00 175.17 173.10 3ipm n SER 167 N 7.95 0.20 0.02 -0.34 3.41 -1.26 -1.15 113.62 122.44 3ipm n SER 167 Ca 0.08 0.45 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 3ipm n SER 167 Cb 0.48 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.45 3.52 -2.69 7.33 0.00 -1.26 -4.94 120.51 121.01 3ipm n ALA 168 Ca -0.01 -0.46 -0.32 0.00 0.00 0.00 0.00 53.44 52.66 3ipm n ALA 168 Cb 0.27 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.90 5.13 0.00 0.00 0.01 -0.30 -2.59 113.70 112.05 3ipm s SER 169 Ca 0.02 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.23 3ipm s SER 169 Cb 0.14 -1.31 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 1.07 -1.25 3.82 3.44 0.00 -1.26 -4.77 105.19 106.24 3ipm n GLY 170 Ca -0.13 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.77 0.00 -0.02 0.00 -1.26 -2.19 105.19 100.95 3ipm n GLY 171 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 0.31 -3.38 1.61 0.00 -1.26 -4.87 117.12 109.52 3ipm n MET 172 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.70 57.44 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 -0.56 0.16 0.16 1.12 1.01 -1.26 -4.14 121.20 117.69 3ipm s ILE 173 Ca 0.00 -2.14 -0.32 0.00 0.00 0.00 0.00 60.65 58.19 3ipm s ILE 173 Cb 0.00 -1.10 -0.10 0.00 0.01 0.00 0.00 42.46 41.27 3ipm s ILE 173 CO 0.00 -1.05 1.57 -1.81 0.00 0.00 0.00 174.94 173.64 3ipm s ASP 174 N 0.53 6.59 0.06 3.58 1.01 -1.22 -4.87 116.67 122.35 3ipm s ASP 174 Ca 0.27 2.60 0.03 0.00 0.71 0.00 0.00 52.55 56.16 3ipm s ASP 174 Cb -0.07 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 3ipm s ASP 174 CO -0.11 -0.82 -0.10 -0.69 0.21 0.00 0.00 175.17 173.66 3ipm s VAL 175 N 1.19 0.72 0.20 -1.27 1.01 -1.26 -1.27 120.40 119.72 3ipm s VAL 175 Ca 0.70 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3ipm s VAL 175 Cb -0.43 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3ipm s VAL 175 CO 0.31 -0.37 0.24 0.00 0.00 0.00 0.00 175.10 175.28 3ipm s ALA 176 N -1.51 0.58 -0.16 5.51 0.00 -0.95 -1.53 121.76 123.70 3ipm s ALA 176 Ca -0.06 -1.33 -0.06 0.00 0.00 0.00 0.00 51.96 50.50 3ipm s ALA 176 Cb -0.09 1.17 0.07 0.00 0.00 0.00 0.00 23.12 24.27 3ipm s ALA 176 CO 0.01 -0.66 0.34 0.08 0.00 0.00 0.00 175.76 175.53 3ipm s VAL 177 N -4.08 -0.41 -0.28 0.00 1.01 -0.25 -2.85 120.40 113.54 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 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3ipm s VAL 177 CO 0.08 0.08 0.31 -0.63 0.00 0.00 0.00 175.10 174.95 3ipm s ILE 178 N 2.23 5.22 -0.03 2.22 1.01 0.61 -2.51 121.20 129.95 3ipm s ILE 178 Ca -0.03 0.40 0.07 0.00 0.00 0.00 0.00 60.65 61.09 3ipm s ILE 178 Cb -0.11 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 3ipm s ILE 178 CO -0.11 0.17 -0.24 -0.89 0.00 0.00 0.00 174.94 173.87 3ipm s THR 179 N 1.96 1.96 0.55 2.92 2.01 -1.20 -1.64 115.64 122.20 3ipm s THR 179 Ca 0.12 -1.04 0.28 0.00 0.31 0.00 0.00 61.69 61.35 3ipm s THR 179 Cb -0.16 -1.64 0.40 0.00 0.01 0.00 0.00 72.50 71.12 3ipm s THR 179 CO 0.10 0.55 1.96 -0.09 -0.69 0.00 0.00 174.62 176.46 3ipm h ARG 180 N 5.72 0.00 0.00 4.92 9.65 -1.91 0.98 114.38 133.74 3ipm h ARG 180 Ca -0.38 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.48 3ipm h ARG 180 Cb 1.14 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.72 3ipm h ARG 180 CO 0.47 0.00 -0.07 -0.22 2.80 0.00 0.00 179.97 182.95 3ipm h LYS 181 N 0.00 0.00 -0.02 0.20 3.64 -1.94 -3.38 116.57 115.07 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 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3ipm h LYS 181 CO -0.00 0.73 -0.25 -0.25 -2.27 0.00 0.00 179.45 177.41 3ipm n ASP 182 N -4.64 2.02 -0.58 4.20 8.00 -1.03 -5.08 116.55 119.44 3ipm n ASP 182 Ca -0.08 -1.52 0.00 0.00 0.71 0.00 0.00 54.79 53.89 3ipm n ASP 182 Cb 0.36 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 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 -0.30 3.68 0.44 0.00 0.34 -4.57 105.19 106.13 3ipm n GLY 183 Ca 0.12 -0.81 -0.45 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.17 2.37 -3.35 1.61 4.19 -1.07 -3.25 117.16 116.49 3ipm n TYR 184 Ca 0.00 0.24 -0.09 0.00 3.31 0.00 0.00 57.90 61.36 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 0.85 -0.62 0.25 2.97 1.01 -1.04 -4.98 120.40 118.84 3ipm s VAL 185 Ca 0.77 -0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 3ipm s VAL 185 Cb -0.64 -0.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.84 3ipm s VAL 185 CO 0.38 -0.11 0.86 -1.58 0.00 0.00 0.00 175.10 174.64 3ipm s GLN 186 N 2.56 4.57 0.50 2.72 0.74 -1.26 -1.09 119.66 128.38 3ipm s GLN 186 Ca 0.13 1.22 -0.18 0.00 0.05 0.00 0.00 55.36 56.58 3ipm s GLN 186 Cb -0.15 -3.02 -0.09 0.00 1.10 0.00 0.00 33.01 30.85 3ipm s GLN 186 CO -0.16 0.42 0.98 -0.51 -0.55 0.00 0.00 175.29 175.48 3ipm s LEU 187 N -1.64 3.70 0.42 3.68 1.43 -0.58 -4.97 118.68 120.72 3ipm s LEU 187 Ca 0.43 1.61 -0.23 0.00 -1.03 0.00 0.00 54.13 54.91 3ipm s LEU 187 Cb -0.21 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.41 3ipm s LEU 187 CO 0.25 -0.55 1.04 -2.84 0.23 0.00 0.00 176.35 174.48 3ipm s PRO 188 N -3.84 4.10 0.16 1.29 0.02 -1.26 -4.80 135.00 130.66 3ipm s PRO 188 Ca 0.60 1.46 -0.22 0.00 0.02 0.00 0.00 61.00 62.86 3ipm s PRO 188 Cb -0.10 -2.44 0.05 0.00 0.02 0.00 0.00 34.50 32.04 3ipm s PRO 188 CO 0.27 -0.19 1.62 1.15 -0.33 0.00 0.00 177.00 179.52 3ipm h THR 189 N 2.05 0.33 -0.55 0.99 2.02 -1.99 -2.17 112.91 113.59 3ipm h THR 189 Ca -0.49 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.80 3ipm h THR 189 Cb 1.21 0.33 -0.11 0.00 -1.74 0.00 0.00 68.15 67.84 3ipm h THR 189 CO 0.62 0.00 -0.19 -2.24 0.37 0.00 0.00 175.52 174.08 3ipm h ASP 190 N -0.23 -0.67 -0.72 4.18 2.03 -2.00 0.23 116.42 119.24 3ipm h ASP 190 Ca 0.16 0.18 0.12 0.00 -0.73 0.00 0.00 57.03 56.76 3ipm h ASP 190 Cb 0.49 0.40 -0.05 0.00 -0.83 0.00 0.00 39.33 39.34 3ipm h ASP 190 CO -0.46 -0.22 0.48 -0.61 -1.03 0.00 0.00 179.24 177.39 3ipm h GLN 191 N -0.05 0.51 -0.24 4.15 4.15 -1.79 -0.32 115.11 121.52 3ipm h GLN 191 Ca 0.26 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.54 3ipm h GLN 191 Cb 0.46 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 3ipm h GLN 191 CO -0.59 0.34 -0.28 0.82 -1.93 0.00 0.00 178.83 177.18 3ipm h ILE 192 N 0.52 1.32 -0.86 2.39 1.08 -0.63 -2.94 117.51 118.39 3ipm h ILE 192 Ca 0.34 -1.47 0.01 0.00 -0.39 0.00 0.00 64.86 63.35 3ipm h ILE 192 Cb 0.62 1.72 -0.04 0.00 -3.07 0.00 0.00 36.82 36.04 3ipm h ILE 192 CO -0.12 0.46 0.57 -0.33 -0.69 0.00 0.00 178.15 178.04 3ipm h GLU 193 N 0.31 1.13 -0.11 2.37 5.08 -0.21 -1.86 114.58 121.29 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 0.85 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 3ipm h GLU 193 CO 0.07 0.75 -0.40 0.77 -1.00 0.00 0.00 179.01 179.20 3ipm h SER 194 N 1.17 -1.25 -0.44 1.42 0.02 -0.96 -0.80 113.55 112.71 3ipm h SER 194 Ca 0.31 0.17 0.09 0.00 -0.84 0.00 0.00 61.79 61.52 3ipm h SER 194 Cb -0.13 0.51 -0.09 0.00 0.14 0.00 0.00 62.40 62.83 3ipm h SER 194 CO -0.07 -0.42 -0.14 0.03 -1.14 0.00 0.00 176.83 175.09 3ipm h ARG 195 N -0.49 -0.04 0.00 3.45 2.47 -1.25 -2.64 114.38 115.88 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 0.62 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 3ipm h ARG 195 CO -0.38 -0.03 0.00 -0.89 0.56 0.00 0.00 179.97 179.23 3ipm n ILE 196 N -5.35 0.00 -0.28 2.04 5.41 -0.60 -2.50 119.36 118.08 3ipm n ILE 196 Ca 0.03 1.27 0.26 0.00 1.00 0.00 0.00 62.75 65.31 3ipm n ILE 196 Cb 0.26 -2.07 0.48 0.00 -0.71 0.00 0.00 39.64 37.60 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 -1.62 -0.05 -0.06 0.38 1.74 -0.41 0.19 116.66 116.83 3ipm n ARG 197 Ca 0.00 1.20 -0.11 0.00 -0.77 0.00 0.00 57.85 58.17 3ipm n ARG 197 Cb 0.00 -2.13 -0.05 0.00 -1.02 0.00 0.00 32.46 29.27 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 0.33 0.65 5.56 2.10 -1.25 -3.25 116.57 120.71 3ipm h LYS 198 Ca 0.71 -0.09 -0.03 0.00 -2.00 0.00 0.00 60.65 59.25 3ipm h LYS 198 Cb 1.85 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 33.13 3ipm h LYS 198 CO -0.68 0.47 -0.44 -0.07 -2.00 0.00 0.00 179.45 176.73 3ipm h LEU 199 N 0.14 -1.14 0.00 7.07 3.38 0.06 -3.47 115.31 121.35 3ipm h LEU 199 Ca 0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ipm h LEU 199 Cb 0.30 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3ipm h LEU 199 CO 0.00 -0.65 0.00 0.61 0.09 0.00 0.00 178.44 178.49 3ipm n GLY 200 N -1.54 0.00 3.99 0.83 0.00 -0.98 -5.14 105.19 102.34 3ipm n GLY 200 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.09 0.99 1.43 -1.25 -5.05 118.68 118.63 3ipm s LEU 201 Ca 0.00 -0.12 -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 -0.47 -0.01 0.27 0.23 0.00 0.00 176.35 176.37 3ipm s ILE 202 N -2.23 0.47 0.00 -0.59 -4.36 -1.26 -4.57 121.20 108.67 3ipm s ILE 202 Ca 0.46 0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.85 3ipm s ILE 202 Cb -0.10 -0.64 0.00 0.00 1.25 0.00 0.00 42.46 42.97 3ipm s ILE 202 CO 0.32 0.23 0.00 -0.11 0.24 0.00 0.00 174.94 175.62