#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 4.83 0.11 4.28 2.01 -1.26 -3.88 115.64 121.73 3ipm s THR 2 Ca 0.00 1.84 -0.01 0.00 0.31 0.00 0.00 61.69 63.83 3ipm s THR 2 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 3ipm s THR 2 CO 0.00 0.02 0.03 0.42 -0.69 0.00 0.00 174.62 174.40 3ipm s THR 3 N 2.04 0.14 0.14 -0.82 -4.23 0.06 -2.41 115.64 110.56 3ipm s THR 3 Ca 0.43 -1.88 -0.20 0.00 -1.18 0.00 0.00 61.69 58.87 3ipm s THR 3 Cb -0.17 -1.88 0.05 0.00 1.34 0.00 0.00 72.50 71.83 3ipm s THR 3 CO 0.15 -0.63 0.50 0.54 -0.54 0.00 0.00 174.62 174.65 3ipm s VAL 4 N -4.01 0.03 -0.26 2.29 0.11 0.16 -1.93 120.40 116.80 3ipm s VAL 4 Ca 0.19 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 58.94 3ipm s VAL 4 Cb 0.08 -1.08 0.13 0.00 -1.53 0.00 0.00 36.38 33.98 3ipm s VAL 4 CO -0.02 -0.15 0.34 -0.83 -3.33 0.00 0.00 175.10 171.11 3ipm s GLY 5 N -2.75 -0.31 0.01 6.54 0.00 -0.63 -1.53 107.32 108.64 3ipm s GLY 5 Ca 0.02 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.14 3ipm s GLY 5 CO -0.12 2.65 0.08 -0.26 0.00 0.00 0.00 173.10 175.44 3ipm s ILE 6 N 2.47 4.68 0.47 0.90 -4.36 -0.84 -2.66 121.20 121.86 3ipm s ILE 6 Ca 0.10 -0.46 0.08 0.00 -0.26 0.00 0.00 60.65 60.11 3ipm s ILE 6 Cb -0.15 -3.15 0.03 0.00 1.25 0.00 0.00 42.46 40.44 3ipm s ILE 6 CO -0.22 0.32 0.65 0.42 0.24 0.00 0.00 174.94 176.35 3ipm s THR 7 N -1.22 2.76 0.00 8.37 -4.23 -0.72 -1.53 115.64 119.08 3ipm s THR 7 Ca 0.24 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 3ipm s THR 7 Cb -0.12 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3ipm s THR 7 CO 0.15 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 174.12 3ipm n LEU 8 N -2.00 0.00 -4.58 4.79 -0.00 -0.63 -4.92 117.00 109.66 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 0.40 0.00 0.55 -0.54 -0.00 0.00 0.00 177.39 177.80 3ipm s LYS 9 N 1.06 3.75 -1.50 1.96 1.02 -1.26 -4.07 119.74 120.70 3ipm s LYS 9 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.27 3ipm s LYS 9 Cb 0.00 -3.81 0.00 0.00 -0.52 0.00 0.00 37.83 33.50 3ipm s LYS 9 CO 0.00 -0.83 0.00 -0.25 -0.92 0.00 0.00 175.35 173.35 3ipm n ASP 10 N 6.35 -5.01 -3.48 2.83 8.00 -1.26 -4.95 116.55 119.04 3ipm n ASP 10 Ca 0.02 0.10 -0.14 0.00 0.71 0.00 0.00 54.79 55.48 3ipm n ASP 10 Cb 0.48 -4.22 -0.04 0.00 -0.02 0.00 0.00 41.12 37.32 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 -2.82 -1.62 -0.07 2.24 0.00 -1.26 -3.71 121.76 114.52 3ipm s ALA 11 Ca 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 3ipm s ALA 11 Cb 0.00 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.64 3ipm s ALA 11 CO 0.00 -0.58 0.16 0.08 0.00 0.00 0.00 175.76 175.41 3ipm s VAL 12 N -2.62 -0.04 0.11 0.00 1.01 -0.62 -1.60 120.40 116.64 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 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 3ipm s VAL 12 CO -0.03 0.05 -0.10 -0.63 0.00 0.00 0.00 175.10 174.40 3ipm s ILE 13 N 0.91 3.38 -0.17 2.22 1.01 -0.58 -0.25 121.20 127.71 3ipm s ILE 13 Ca -0.07 -1.28 -0.04 0.00 0.00 0.00 0.00 60.65 59.25 3ipm s ILE 13 Cb -0.09 -2.58 0.08 0.00 0.01 0.00 0.00 42.46 39.88 3ipm s ILE 13 CO -0.05 0.10 0.29 -0.04 0.00 0.00 0.00 174.94 175.24 3ipm s MET 14 N -2.24 0.20 -0.04 2.79 -1.94 -1.15 -1.98 119.30 114.95 3ipm s MET 14 Ca 0.22 0.63 0.04 0.00 -1.71 0.00 0.00 55.69 54.86 3ipm s MET 14 Cb -0.11 -0.32 -0.00 0.00 2.01 0.00 0.00 34.83 36.41 3ipm s MET 14 CO 0.14 -0.42 -0.14 0.00 -0.01 0.00 0.00 175.02 174.59 3ipm s ALA 15 N 2.44 1.27 0.00 3.03 0.00 -0.58 -2.32 121.76 125.60 3ipm s ALA 15 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3ipm s ALA 15 Cb -0.13 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.55 3ipm s ALA 15 CO -0.11 0.22 0.00 0.25 0.00 0.00 0.00 175.76 176.13 3ipm n THR 16 N 3.20 0.00 -4.23 0.00 -2.24 -0.49 -0.67 114.28 109.85 3ipm n THR 16 Ca -0.18 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 3ipm n THR 16 Cb 0.53 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 -3.05 -0.78 -0.00 -1.01 -3.34 120.64 112.91 3ipm n GLU 17 Ca 0.00 -2.06 -0.18 0.00 -0.00 0.00 0.00 57.16 54.92 3ipm n GLU 17 Cb 0.00 1.44 -0.03 0.00 -0.00 0.00 0.00 31.44 32.85 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 -0.46 0.64 -4.70 3.44 1.85 -0.94 -4.52 116.66 111.97 3ipm n ARG 18 Ca 0.01 -2.66 -0.25 0.00 -1.00 0.00 0.00 57.85 53.96 3ipm n ARG 18 Cb 0.37 -1.37 -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 -0.26 1.58 -0.25 2.89 3.52 -1.25 -2.16 118.95 123.02 3ipm s ARG 19 Ca 0.33 -0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 55.39 3ipm s ARG 19 Cb 0.16 -1.38 0.01 0.00 -1.56 0.00 0.00 34.95 32.18 3ipm s ARG 19 CO -0.16 0.19 -0.03 0.08 -0.81 0.00 0.00 175.30 174.57 3ipm s VAL 20 N 0.15 3.21 0.55 7.11 1.01 -1.01 -4.39 120.40 127.03 3ipm s VAL 20 Ca -0.05 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.21 3ipm s VAL 20 Cb -0.11 -2.58 0.07 0.00 0.00 0.00 0.00 36.38 33.75 3ipm s VAL 20 CO 0.02 0.25 0.71 -0.89 0.00 0.00 0.00 175.10 175.18 3ipm s THR 21 N 1.40 2.20 -0.38 3.92 2.01 -1.26 -2.22 115.64 121.31 3ipm s THR 21 Ca 0.02 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.96 3ipm s THR 21 Cb -0.16 -2.28 0.27 0.00 0.01 0.00 0.00 72.50 70.34 3ipm s THR 21 CO -0.03 0.00 1.13 0.23 -0.69 0.00 0.00 174.62 175.26 3ipm n MET 22 N -2.12 0.34 0.00 4.92 2.81 -0.70 -4.81 117.12 117.56 3ipm n MET 22 Ca 0.12 -1.03 0.00 0.00 -1.81 0.00 0.00 57.70 54.98 3ipm n MET 22 Cb 0.62 -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 1.52 0.00 -0.32 0.03 4.71 -1.26 -2.67 120.64 122.65 3ipm n GLU 23 Ca 0.04 0.00 -0.02 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 6.71 2.82 -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 -1.28 1.82 -0.30 3.10 5.36 -1.09 -5.12 117.98 120.48 3ipm s PHE 25 Ca 0.17 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 55.78 3ipm s PHE 25 Cb 0.14 -1.09 0.09 0.00 -0.34 0.00 0.00 43.02 41.81 3ipm s PHE 25 CO 0.04 0.09 0.03 0.42 -1.46 0.00 0.00 175.22 174.33 3ipm s ILE 26 N -0.79 1.77 0.02 3.12 1.01 -1.26 -1.73 121.20 123.34 3ipm s ILE 26 Ca 0.08 -1.82 -0.25 0.00 0.00 0.00 0.00 60.65 58.65 3ipm s ILE 26 Cb -0.09 -2.22 -0.17 0.00 0.01 0.00 0.00 42.46 39.99 3ipm s ILE 26 CO 0.02 -0.47 1.37 0.24 0.00 0.00 0.00 174.94 176.09 3ipm h MET 27 N 7.81 -0.24 -4.17 2.79 2.86 -1.76 -3.44 114.93 118.78 3ipm h MET 27 Ca -0.10 0.02 -0.42 0.00 -2.06 0.00 0.00 59.70 57.13 3ipm h MET 27 Cb 1.03 0.05 -0.33 0.00 0.06 0.00 0.00 31.60 32.41 3ipm h MET 27 CO 0.48 0.06 -0.78 -1.01 1.06 0.00 0.00 176.91 176.72 3ipm s HIS 28 N -4.93 0.85 -2.17 -0.22 3.76 -1.22 -4.98 115.29 106.38 3ipm s HIS 28 Ca -0.15 -0.25 0.18 0.00 -0.15 0.00 0.00 55.06 54.70 3ipm s HIS 28 Cb 0.03 -0.70 0.73 0.00 1.11 0.00 0.00 32.58 33.75 3ipm s HIS 28 CO 0.61 -0.18 1.52 1.63 -0.85 0.00 0.00 174.74 177.46 3ipm n LYS 29 N 3.86 1.56 -3.18 1.40 5.02 -1.26 -2.40 118.16 123.16 3ipm n LYS 29 Ca -0.24 -0.85 0.02 0.00 -2.02 0.00 0.00 58.31 55.22 3ipm n LYS 29 Cb 0.52 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 34.18 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 -1.47 -1.39 0.19 4.39 3.84 -1.15 -4.42 114.94 114.93 3ipm s ASN 30 Ca 0.29 -0.11 0.01 0.00 0.21 0.00 0.00 52.86 53.26 3ipm s ASN 30 Cb 0.15 1.92 -0.00 0.00 -0.55 0.00 0.00 41.25 42.76 3ipm s ASN 30 CO 0.23 -0.28 0.02 0.61 -2.79 0.00 0.00 177.10 174.90 3ipm n GLY 31 N 5.17 3.87 3.65 1.21 0.00 -0.92 -5.02 105.19 113.15 3ipm n GLY 31 Ca 0.06 -2.16 -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 -2.69 3.31 0.00 1.61 2.47 -1.26 -4.68 119.74 118.50 3ipm s LYS 32 Ca 0.03 -0.40 0.00 0.00 -1.56 0.00 0.00 55.97 54.04 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 0.02 0.55 0.00 1.63 0.16 0.00 0.00 175.35 177.71 3ipm n LYS 33 N 2.63 2.60 -4.08 4.03 5.02 -1.26 -5.00 118.16 122.10 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 -0.31 2.36 0.09 -0.35 2.96 -1.26 -2.73 118.68 119.45 3ipm s LEU 34 Ca 0.00 -0.81 0.05 0.00 -0.22 0.00 0.00 54.13 53.15 3ipm s LEU 34 Cb 0.00 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3ipm s LEU 34 CO 0.00 -0.06 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.47 3ipm s PHE 35 N 1.29 1.29 -0.30 5.38 0.08 -0.90 -5.01 117.98 119.81 3ipm s PHE 35 Ca 0.01 -0.51 -0.20 0.00 0.12 0.00 0.00 56.93 56.36 3ipm s PHE 35 Cb -0.15 -0.71 -0.01 0.00 -0.57 0.00 0.00 43.02 41.59 3ipm s PHE 35 CO -0.11 0.09 0.62 -1.14 -0.10 0.00 0.00 175.22 174.58 3ipm s GLN 36 N -2.16 3.90 0.00 0.44 0.74 -1.26 -1.13 119.66 120.19 3ipm s GLN 36 Ca 0.03 0.28 0.25 0.00 0.05 0.00 0.00 55.36 55.96 3ipm s GLN 36 Cb -0.08 -3.73 0.35 0.00 1.10 0.00 0.00 33.01 30.66 3ipm s GLN 36 CO 0.02 -0.56 1.33 0.44 -0.55 0.00 0.00 175.29 175.98 3ipm n ILE 37 N 5.38 0.00 -3.64 -2.34 -5.35 -0.75 -4.96 119.36 107.70 3ipm n ILE 37 Ca -0.01 -0.32 -0.02 0.00 -0.27 0.00 0.00 62.75 62.12 3ipm n ILE 37 Cb 0.49 1.08 -0.02 0.00 -1.74 0.00 0.00 39.64 39.44 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 -2.24 -0.03 0.18 7.28 2.15 -1.11 -4.49 116.67 118.41 3ipm s ASP 38 Ca 0.26 0.01 0.05 0.00 0.43 0.00 0.00 52.55 53.30 3ipm s ASP 38 Cb 0.19 0.03 0.53 0.00 -0.30 0.00 0.00 42.92 43.38 3ipm s ASP 38 CO 0.43 -0.05 0.85 0.41 -0.17 0.00 0.00 175.17 176.64 3ipm n THR 39 N 0.10 -0.23 -2.47 1.71 -1.04 -1.26 -0.38 114.28 110.71 3ipm n THR 39 Ca 0.04 1.15 -0.12 0.00 -2.04 0.00 0.00 64.05 63.08 3ipm n THR 39 Cb 0.57 -1.75 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 -4.49 1.99 -3.75 -1.42 4.01 -1.26 -2.59 117.16 109.65 3ipm n TYR 40 Ca 0.16 -2.27 -0.13 0.00 -0.16 0.00 0.00 57.90 55.49 3ipm n TYR 40 Cb 0.52 -0.28 -0.09 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.04 0.36 -0.72 2.01 0.48 -2.01 115.64 111.61 3ipm s THR 41 Ca 0.38 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 62.08 3ipm s THR 41 Cb 0.37 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 3ipm s THR 41 CO -0.01 -0.20 0.21 -0.83 -0.69 0.00 0.00 174.62 173.11 3ipm s GLY 42 N -1.02 2.41 -0.23 4.40 0.00 0.13 -1.81 107.32 111.20 3ipm s GLY 42 Ca -0.11 -1.71 -0.26 0.00 0.00 0.00 0.00 44.72 42.64 3ipm s GLY 42 CO 0.04 -1.61 0.71 -0.29 0.00 0.00 0.00 173.10 171.95 3ipm s MET 43 N -3.58 0.88 -0.25 2.90 1.75 -0.28 -2.64 119.30 118.07 3ipm s MET 43 Ca 0.34 0.86 0.03 0.00 -1.25 0.00 0.00 55.69 55.66 3ipm s MET 43 Cb 0.03 0.43 0.06 0.00 2.84 0.00 0.00 34.83 38.18 3ipm s MET 43 CO 0.22 -0.14 -0.12 0.95 -0.65 0.00 0.00 175.02 175.28 3ipm s THR 44 N 0.08 2.13 0.83 10.11 -4.23 -0.50 -2.13 115.64 121.93 3ipm s THR 44 Ca -0.02 -1.55 -0.12 0.00 -1.18 0.00 0.00 61.69 58.82 3ipm s THR 44 Cb -0.04 -2.22 0.09 0.00 1.34 0.00 0.00 72.50 71.67 3ipm s THR 44 CO 0.03 0.02 1.10 0.27 -0.54 0.00 0.00 174.62 175.50 3ipm s ILE 45 N 1.13 2.81 0.00 2.99 -5.25 -1.10 -2.38 121.20 119.40 3ipm s ILE 45 Ca -0.08 0.26 0.00 0.00 -0.99 0.00 0.00 60.65 59.85 3ipm s ILE 45 Cb -0.19 -2.99 0.00 0.00 2.95 0.00 0.00 42.46 42.23 3ipm s ILE 45 CO -0.06 -0.34 0.00 0.00 -1.79 0.00 0.00 174.94 172.75 3ipm n ALA 46 N -3.54 0.00 0.00 2.27 0.00 -1.18 -4.92 120.51 113.14 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 0.74 3.64 0.00 0.00 -1.26 -2.17 105.19 106.13 3ipm n GLY 47 Ca 0.00 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 4.08 0.00 0.99 2.96 0.20 -4.99 118.68 121.92 3ipm s LEU 48 Ca 0.00 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 3ipm s LEU 48 Cb 0.00 -3.16 0.00 0.00 0.50 0.00 0.00 46.19 43.53 3ipm s LEU 48 CO 0.00 -0.53 0.69 0.52 -1.32 0.00 0.00 176.35 175.71 3ipm n VAL 49 N 5.31 0.00 0.00 1.68 0.31 -1.26 -1.59 118.33 122.78 3ipm n VAL 49 Ca 0.05 1.19 0.00 0.00 -0.01 0.00 0.00 64.34 65.57 3ipm n VAL 49 Cb 0.48 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 -0.92 -2.46 0.26 2.92 0.00 -1.26 -1.62 105.19 102.11 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 -1.13 -0.65 -0.40 1.61 9.92 -1.22 -1.27 116.55 123.40 3ipm n ASP 51 Ca 0.00 1.31 -0.10 0.00 -0.53 0.00 0.00 54.79 55.47 3ipm n ASP 51 Cb 0.00 -0.25 -0.10 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 -0.08 2.24 0.00 -0.62 -1.22 120.51 116.98 3ipm n ALA 52 Ca 0.01 0.81 -0.07 0.00 0.00 0.00 0.00 53.44 54.19 3ipm n ALA 52 Cb 0.16 -0.13 0.00 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 0.14 -0.91 0.00 4.20 -0.37 -0.87 115.11 117.29 3ipm h GLN 53 Ca 0.15 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.00 3ipm h GLN 53 Cb 0.39 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 3ipm h GLN 53 CO -0.89 0.09 0.58 0.28 -0.67 0.00 0.00 178.83 178.22 3ipm h VAL 54 N 0.14 0.84 0.39 -0.54 2.07 -0.56 -1.24 116.25 117.34 3ipm h VAL 54 Ca 0.14 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3ipm h VAL 54 Cb 0.17 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3ipm h VAL 54 CO -0.21 0.13 -0.19 -0.07 0.02 0.00 0.00 177.57 177.26 3ipm h LEU 55 N 0.73 -0.44 -0.76 2.57 3.38 0.13 0.41 115.31 121.33 3ipm h LEU 55 Ca 0.46 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.45 3ipm h LEU 55 Cb 0.71 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.43 3ipm h LEU 55 CO -0.22 -0.10 -0.30 0.58 0.09 0.00 0.00 178.44 178.49 3ipm h VAL 56 N -0.81 0.14 0.04 1.22 2.07 -0.20 0.55 116.25 119.27 3ipm h VAL 56 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3ipm h VAL 56 Cb 0.53 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3ipm h VAL 56 CO 0.09 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 177.69 3ipm h ARG 57 N -0.07 -0.05 -0.81 1.57 3.08 -1.22 0.36 114.38 117.24 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 0.58 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 3ipm h ARG 57 CO -0.80 0.06 0.56 1.88 -1.07 0.00 0.00 179.97 180.59 3ipm h TYR 58 N -0.16 0.26 0.00 3.04 -1.99 0.92 -2.18 116.97 116.86 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 0.14 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 38.79 3ipm h TYR 58 CO -0.04 0.08 0.00 -1.33 -0.00 0.00 0.00 178.16 176.86 3ipm n MET 59 N -4.40 0.00 -0.19 4.88 2.81 0.18 -3.16 117.12 117.23 3ipm n MET 59 Ca 0.17 0.22 0.19 0.00 -1.81 0.00 0.00 57.70 56.46 3ipm n MET 59 Cb 0.74 -0.78 0.34 0.00 -0.71 0.00 0.00 33.22 32.81 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 -1.15 -0.03 0.05 0.03 5.02 0.12 0.22 118.16 122.42 3ipm n LYS 60 Ca 0.00 0.78 -0.13 0.00 -2.02 0.00 0.00 58.31 56.94 3ipm n LYS 60 Cb 0.00 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 33.51 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 1.11 -0.13 -0.62 7.82 0.00 -1.55 -2.67 119.26 123.22 3ipm h ALA 61 Ca 0.49 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3ipm h ALA 61 Cb 1.31 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3ipm h ALA 61 CO -0.42 -0.38 0.02 1.49 0.00 0.00 0.00 179.25 179.96 3ipm h GLU 62 N -0.52 1.08 -0.37 0.00 4.81 0.28 -0.63 114.58 119.22 3ipm h GLU 62 Ca -0.01 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 3ipm h GLU 62 Cb 0.43 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3ipm h GLU 62 CO 0.02 1.04 0.16 -0.07 -0.73 0.00 0.00 179.01 179.43 3ipm h LEU 63 N 0.99 0.50 -0.24 1.64 -0.00 -1.40 -2.51 115.31 114.29 3ipm h LEU 63 Ca 0.18 -0.15 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 3ipm h LEU 63 Cb 0.54 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 3ipm h LEU 63 CO 0.03 0.52 0.13 -0.08 -0.00 0.00 0.00 178.44 179.03 3ipm h GLU 64 N 0.46 0.27 -0.00 1.13 4.81 -1.33 -0.36 114.58 119.55 3ipm h GLU 64 Ca 0.13 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3ipm h GLU 64 Cb 0.16 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 3ipm h GLU 64 CO -0.01 0.18 -0.50 1.25 -0.73 0.00 0.00 179.01 179.19 3ipm h LEU 65 N 0.28 -1.55 -0.07 1.64 5.85 -0.89 0.36 115.31 120.92 3ipm h LEU 65 Ca 0.09 0.17 0.01 0.00 0.84 0.00 0.00 57.88 59.00 3ipm h LEU 65 Cb 0.00 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3ipm h LEU 65 CO -0.05 -0.49 -0.21 0.22 -0.34 0.00 0.00 178.44 177.57 3ipm h TYR 66 N -0.63 -0.64 -0.89 1.25 5.03 -1.33 -1.79 116.97 117.97 3ipm h TYR 66 Ca 0.01 0.03 0.21 0.00 2.58 0.00 0.00 58.73 61.56 3ipm h TYR 66 Cb 0.67 0.29 -0.16 0.00 1.55 0.00 0.00 36.73 39.08 3ipm h TYR 66 CO -0.51 -0.21 -0.06 -0.09 -1.32 0.00 0.00 178.16 175.97 3ipm h ARG 67 N -0.21 0.04 -0.80 1.82 1.12 -0.75 0.68 114.38 116.28 3ipm h ARG 67 Ca 0.02 -0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.86 3ipm h ARG 67 Cb 0.26 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.17 3ipm h ARG 67 CO -0.18 0.02 0.40 -0.07 -3.11 0.00 0.00 179.97 177.03 3ipm h LEU 68 N 0.04 1.03 0.00 3.80 -0.00 0.36 0.09 115.31 120.63 3ipm h LEU 68 Ca 0.49 -0.13 -0.21 0.00 -0.00 0.00 0.00 57.88 58.04 3ipm h LEU 68 Cb 0.90 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.26 3ipm h LEU 68 CO -0.85 0.87 -1.73 0.00 -0.00 0.00 0.00 178.44 176.73 3ipm n GLN 69 N -4.37 0.64 0.00 1.13 10.64 -0.38 -4.34 117.38 120.70 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 0.13 -1.71 0.02 0.00 -0.86 0.00 0.00 30.24 27.82 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 -2.80 0.18 -1.99 2.61 5.12 0.22 -4.98 116.66 115.01 3ipm n ARG 70 Ca -0.15 -0.14 -0.19 0.00 -1.93 0.00 0.00 57.85 55.45 3ipm n ARG 70 Cb 0.90 -1.50 -0.04 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 -1.29 -1.63 -3.69 5.56 1.74 0.02 -4.95 116.66 112.42 3ipm n ARG 71 Ca 0.05 1.00 -0.11 0.00 -0.77 0.00 0.00 57.85 58.02 3ipm n ARG 71 Cb 0.35 -5.50 -0.10 0.00 -1.02 0.00 0.00 32.46 26.19 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 1.09 1.55 -7.23 -1.25 -5.08 120.40 106.71 3ipm s VAL 72 Ca 0.00 0.04 -0.15 0.00 -1.81 0.00 0.00 61.98 60.06 3ipm s VAL 72 Cb 0.00 -0.70 0.15 0.00 0.56 0.00 0.00 36.38 36.39 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 3.73 -1.91 -4.83 4.85 4.13 -1.26 -4.31 115.26 115.65 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 -1.13 -0.07 0.00 -1.54 0.00 0.00 39.78 37.60 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 -3.85 3.71 0.16 3.52 -2.45 -1.26 -4.97 119.30 114.16 3ipm s MET 74 Ca 0.61 -0.10 -0.33 0.00 -1.25 0.00 0.00 55.69 54.61 3ipm s MET 74 Cb -0.18 -3.26 -0.16 0.00 1.25 0.00 0.00 34.83 32.47 3ipm s MET 74 CO 0.65 0.62 1.05 -2.30 1.05 0.00 0.00 175.02 176.10 3ipm n PRO 75 N 2.45 0.84 0.06 4.11 -0.02 -1.26 -4.77 135.00 136.39 3ipm n PRO 75 Ca -0.18 0.30 0.19 0.00 -2.02 0.00 0.00 63.50 61.78 3ipm n PRO 75 Cb 0.54 -1.72 0.71 0.00 -0.02 0.00 0.00 33.50 33.01 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 2.44 0.70 0.02 4.25 1.08 -1.92 -1.12 117.51 122.96 3ipm h ILE 76 Ca -0.42 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 63.93 3ipm h ILE 76 Cb 1.37 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 -0.49 -0.08 -0.69 0.00 0.00 178.15 177.56 3ipm h GLU 77 N 0.00 0.30 0.00 2.37 4.81 -1.96 -2.90 114.58 117.19 3ipm h GLU 77 Ca 0.20 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3ipm h GLU 77 Cb 0.86 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 3ipm h GLU 77 CO -0.00 1.06 -0.01 0.00 -0.73 0.00 0.00 179.01 179.32 3ipm h ALA 78 N 0.25 1.85 -0.31 2.92 0.00 -1.68 0.34 119.26 122.63 3ipm h ALA 78 Ca -0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3ipm h ALA 78 Cb 1.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3ipm h ALA 78 CO 0.10 0.02 -0.20 0.28 0.00 0.00 0.00 179.25 179.44 3ipm h VAL 79 N 0.00 1.30 -0.15 0.00 2.07 -1.24 0.15 116.25 118.38 3ipm h VAL 79 Ca -0.00 -1.34 -0.17 0.00 0.82 0.00 0.00 66.70 66.01 3ipm h VAL 79 Cb 0.02 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3ipm h VAL 79 CO 0.00 0.43 -0.62 0.00 0.02 0.00 0.00 177.57 177.40 3ipm h ALA 80 N 0.74 0.65 -0.32 1.67 0.00 -0.98 -1.91 119.26 119.12 3ipm h ALA 80 Ca 0.06 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3ipm h ALA 80 Cb 0.75 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ipm h ALA 80 CO 0.06 0.71 -0.04 1.15 0.00 0.00 0.00 179.25 181.13 3ipm h THR 81 N 0.38 1.27 0.02 0.00 2.02 -0.31 0.43 112.91 116.73 3ipm h THR 81 Ca -0.01 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.16 3ipm h THR 81 Cb 1.17 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.86 3ipm h THR 81 CO 0.11 0.34 -0.15 0.25 0.37 0.00 0.00 175.52 176.44 3ipm h LEU 82 N 0.37 -0.42 -0.57 2.58 5.85 -0.60 -0.24 115.31 122.27 3ipm h LEU 82 Ca 0.09 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3ipm h LEU 82 Cb 0.50 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3ipm h LEU 82 CO 0.02 -0.20 0.32 0.25 -0.34 0.00 0.00 178.44 178.49 3ipm h LEU 83 N -0.25 0.50 -0.13 2.25 6.46 -1.23 -1.61 115.31 121.30 3ipm h LEU 83 Ca 0.04 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 3ipm h LEU 83 Cb 0.30 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 3ipm h LEU 83 CO -0.13 0.34 -0.25 -1.28 -0.62 0.00 0.00 178.44 176.50 3ipm h SER 84 N 0.62 -0.81 -0.51 1.25 0.87 0.66 -1.38 113.55 114.25 3ipm h SER 84 Ca 0.25 0.10 0.10 0.00 -1.23 0.00 0.00 61.79 61.01 3ipm h SER 84 Cb 0.10 0.33 -0.10 0.00 -0.44 0.00 0.00 62.40 62.28 3ipm h SER 84 CO -0.14 -0.20 -0.17 0.78 -0.53 0.00 0.00 176.83 176.58 3ipm h ASN 85 N -0.22 -0.59 -0.78 6.23 2.35 -0.83 -1.59 115.58 120.15 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 0.29 0.36 -0.07 0.00 0.05 0.00 0.00 38.32 38.95 3ipm h ASN 85 CO -0.23 -0.20 0.43 0.24 -1.65 0.00 0.00 177.43 176.01 3ipm h MET 86 N -0.04 0.70 -0.41 0.81 2.86 -0.85 0.18 114.93 118.18 3ipm h MET 86 Ca 0.24 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 3ipm h MET 86 Cb 0.42 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3ipm h MET 86 CO -0.55 0.47 -0.23 -0.07 1.06 0.00 0.00 176.91 177.58 3ipm h LEU 87 N 0.72 0.85 -0.02 1.22 3.38 -0.34 -3.23 115.31 117.89 3ipm h LEU 87 Ca 0.38 -0.32 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 3ipm h LEU 87 Cb 0.36 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ipm h LEU 87 CO -0.25 1.05 -1.10 -1.13 0.09 0.00 0.00 178.44 177.10 3ipm h ASN 88 N 0.72 0.49 0.00 -0.43 -0.73 -0.94 -3.08 115.58 111.62 3ipm h ASN 88 Ca 0.10 -0.46 0.00 0.00 1.87 0.00 0.00 56.30 57.81 3ipm h ASN 88 Cb 0.77 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.20 3ipm h ASN 88 CO 0.06 1.30 0.33 0.00 -0.37 0.00 0.00 177.43 178.75 3ipm n GLN 89 N -3.65 0.07 -2.74 6.67 6.02 0.01 -0.60 117.38 123.16 3ipm n GLN 89 Ca -0.08 0.53 -0.10 0.00 -0.01 0.00 0.00 57.00 57.35 3ipm n GLN 89 Cb 0.93 -2.07 0.05 0.00 1.02 0.00 0.00 30.24 30.16 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 -1.95 0.53 0.32 5.09 0.24 -1.22 -4.94 118.33 116.40 3ipm n VAL 90 Ca -0.01 -2.76 0.16 0.00 -2.04 0.00 0.00 64.34 59.69 3ipm n VAL 90 Cb 0.35 0.68 0.64 0.00 -1.47 0.00 0.00 33.84 34.04 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 2.75 0.00 0.00 7.34 2.10 -0.76 -1.61 116.57 126.38 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 0.33 0.00 -0.82 1.88 -2.00 0.00 0.00 179.45 178.84 3ipm h TYR 92 N 0.00 0.00 -1.95 0.07 0.99 -1.89 -3.32 116.97 110.87 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 0.43 0.00 -0.41 0.00 1.00 0.00 0.00 36.73 37.75 3ipm h TYR 92 CO 0.00 0.00 -0.92 -1.33 -0.00 0.00 0.00 178.16 175.91 3ipm n MET 93 N -2.64 2.21 -0.05 4.88 2.81 -0.97 -5.10 117.12 118.26 3ipm n MET 93 Ca 0.01 -4.11 -0.06 0.00 -1.81 0.00 0.00 57.70 51.73 3ipm n MET 93 Cb 0.53 -1.94 0.06 0.00 -0.71 0.00 0.00 33.22 31.16 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 -2.51 -4.08 0.03 -0.04 -0.65 -4.87 135.00 122.81 3ipm n PRO 94 Ca 0.27 -0.29 -0.33 0.00 -0.04 0.00 0.00 63.50 63.11 3ipm n PRO 94 Cb 0.57 -0.37 -0.15 0.00 -0.04 0.00 0.00 33.50 33.50 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 -1.23 3.04 0.00 0.54 1.51 -1.26 -4.98 117.35 114.97 3ipm s TYR 95 Ca 0.13 -1.97 -0.00 0.00 -1.01 0.00 0.00 57.07 54.22 3ipm s TYR 95 Cb -0.02 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 3ipm s TYR 95 CO 0.11 -0.84 0.51 -1.33 -1.11 0.00 0.00 175.55 172.90 3ipm n MET 96 N 4.53 0.18 -4.14 -0.62 2.81 -1.26 -4.69 117.12 113.93 3ipm n MET 96 Ca -0.17 -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 31.44 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 2.12 1.79 -0.30 2.03 -7.23 -1.26 0.63 120.40 118.17 3ipm s VAL 97 Ca 0.03 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 3ipm s VAL 97 Cb 0.02 -2.45 0.19 0.00 0.56 0.00 0.00 36.38 34.70 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 0.45 0.30 4.82 0.74 -0.92 -4.01 119.66 116.97 3ipm s GLN 98 Ca 0.30 0.39 0.08 0.00 0.05 0.00 0.00 55.36 56.19 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 0.18 -0.83 0.13 -0.48 -0.55 0.00 0.00 175.29 173.74 3ipm s LEU 99 N 2.81 3.41 -0.12 3.68 0.05 -1.12 -3.11 118.68 124.27 3ipm s LEU 99 Ca 0.15 -0.59 0.01 0.00 0.05 0.00 0.00 54.13 53.76 3ipm s LEU 99 Cb -0.07 -1.93 0.02 0.00 -2.05 0.00 0.00 46.19 42.16 3ipm s LEU 99 CO -0.24 -0.17 -0.15 -0.76 -0.55 0.00 0.00 176.35 174.48 3ipm s LEU 100 N -3.82 1.72 -0.37 1.48 1.43 -1.00 -1.70 118.68 116.42 3ipm s LEU 100 Ca 0.35 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 3ipm s LEU 100 Cb -0.05 -1.12 0.07 0.00 0.03 0.00 0.00 46.19 45.11 3ipm s LEU 100 CO 0.23 -0.00 0.16 -0.69 0.23 0.00 0.00 176.35 176.27 3ipm s VAL 101 N 1.11 3.67 0.09 -1.59 1.01 -0.50 -1.42 120.40 122.78 3ipm s VAL 101 Ca -0.04 -1.46 0.09 0.00 0.00 0.00 0.00 61.98 60.57 3ipm s VAL 101 Cb -0.14 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3ipm s VAL 101 CO -0.04 -0.38 -0.24 -0.83 0.00 0.00 0.00 175.10 173.61 3ipm s GLY 102 N 1.69 1.37 0.00 4.51 0.00 -1.08 -1.27 107.32 112.54 3ipm s GLY 102 Ca 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.44 3ipm s GLY 102 CO 0.00 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.46 3ipm n GLY 103 N 1.30 -1.82 2.96 0.20 0.00 -1.00 0.18 105.19 107.01 3ipm n GLY 103 Ca -0.18 -1.13 -0.24 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 -2.22 0.97 0.00 -0.61 1.01 -0.85 -1.00 121.20 118.50 3ipm s ILE 104 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 3ipm s ILE 104 Cb 0.00 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 3ipm s ILE 104 CO 0.00 0.33 -0.05 -0.90 0.00 0.00 0.00 174.94 174.32 3ipm n ASP 105 N 4.16 0.54 0.00 3.58 5.68 -1.26 -4.82 116.55 124.42 3ipm n ASP 105 Ca -0.20 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 3ipm n ASP 105 Cb 0.51 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 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 -3.01 0.00 -3.80 2.12 -2.24 -1.26 -5.05 114.28 101.05 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 0.07 0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.91 -0.47 -0.17 6.98 0.00 -1.26 -5.08 121.76 119.85 3ipm s ALA 107 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 3ipm s ALA 107 Cb 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 3ipm s ALA 107 CO 0.00 -0.48 1.24 -1.25 0.00 0.00 0.00 175.76 175.27 3ipm s PRO 108 N -3.33 4.24 0.34 0.00 0.04 -1.26 -4.41 135.00 130.62 3ipm s PRO 108 Ca 0.01 1.64 0.09 0.00 0.04 0.00 0.00 61.00 62.78 3ipm s PRO 108 Cb 0.02 -3.75 -0.06 0.00 0.04 0.00 0.00 34.50 30.75 3ipm s PRO 108 CO -0.08 -0.69 -0.10 -1.01 0.04 0.00 0.00 177.00 175.16 3ipm s HIS 109 N 3.42 2.36 -0.23 0.56 3.76 -0.17 -4.84 115.29 120.15 3ipm s HIS 109 Ca 0.54 -0.50 -0.08 0.00 -0.15 0.00 0.00 55.06 54.86 3ipm s HIS 109 Cb -0.21 -1.34 0.10 0.00 1.11 0.00 0.00 32.58 32.24 3ipm s HIS 109 CO 0.14 0.57 0.49 0.08 -0.85 0.00 0.00 174.74 175.18 3ipm s VAL 110 N -2.64 -0.72 -0.02 -0.90 1.01 -1.26 -2.38 120.40 113.48 3ipm s VAL 110 Ca 0.32 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.49 3ipm s VAL 110 Cb 0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3ipm s VAL 110 CO 0.16 0.05 -0.25 -0.36 0.00 0.00 0.00 175.10 174.70 3ipm s PHE 111 N 2.64 2.37 -0.24 5.22 0.40 -0.40 -2.25 117.98 125.72 3ipm s PHE 111 Ca -0.03 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.86 3ipm s PHE 111 Cb -0.12 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 41.91 3ipm s PHE 111 CO -0.15 -0.01 -0.04 0.45 0.70 0.00 0.00 175.22 176.17 3ipm s SER 112 N -0.63 4.38 -0.08 1.36 0.15 -0.82 -1.41 113.70 116.66 3ipm s SER 112 Ca 0.10 -0.66 0.03 0.00 0.70 0.00 0.00 55.95 56.12 3ipm s SER 112 Cb -0.10 -1.72 -0.02 0.00 -1.71 0.00 0.00 66.02 62.47 3ipm s SER 112 CO -0.01 -0.09 -0.16 -0.63 1.20 0.00 0.00 173.24 173.55 3ipm s ILE 113 N 1.41 2.83 0.51 6.45 1.01 -0.69 -1.67 121.20 131.04 3ipm s ILE 113 Ca 0.03 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 59.98 3ipm s ILE 113 Cb -0.16 -2.12 0.04 0.00 0.01 0.00 0.00 42.46 40.24 3ipm s ILE 113 CO -0.03 0.57 0.59 1.51 0.00 0.00 0.00 174.94 177.57 3ipm s ASP 114 N -0.26 5.10 0.15 3.58 1.47 -1.11 -2.81 116.67 122.79 3ipm s ASP 114 Ca 0.01 -0.83 0.09 0.00 1.18 0.00 0.00 52.55 53.00 3ipm s ASP 114 Cb -0.13 -0.02 0.51 0.00 -0.34 0.00 0.00 42.92 42.94 3ipm s ASP 114 CO 0.03 -1.05 1.26 0.00 0.68 0.00 0.00 175.17 176.09 3ipm n ALA 115 N -1.93 0.95 0.03 2.11 0.00 -1.26 -1.36 120.51 119.05 3ipm n ALA 115 Ca 0.08 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 3ipm n ALA 115 Cb 0.62 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 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 1.86 0.50 0.00 0.00 0.00 -1.92 -3.43 119.26 116.27 3ipm h ALA 116 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.69 3ipm h ALA 116 Cb 0.09 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ipm h ALA 116 CO 0.00 1.36 0.00 0.41 0.00 0.00 0.00 179.25 181.02 3ipm n GLY 117 N 1.56 0.81 3.61 0.00 0.00 -0.46 -2.69 105.19 108.02 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 -0.59 1.24 -0.20 -0.02 0.00 -1.26 -4.29 107.32 102.20 3ipm s GLY 118 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 44.72 44.46 3ipm s GLY 118 CO 0.00 2.59 0.00 -1.35 0.00 0.00 0.00 173.10 174.35 3ipm s SER 119 N 3.12 4.89 -0.06 1.64 1.04 -1.26 -2.76 113.70 120.30 3ipm s SER 119 Ca 0.55 -0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.84 3ipm s SER 119 Cb -0.12 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.17 3ipm s SER 119 CO 0.30 0.07 -0.17 -0.69 0.98 0.00 0.00 173.24 173.73 3ipm s VAL 120 N 0.94 1.46 0.21 5.02 1.01 -0.67 -4.93 120.40 123.44 3ipm s VAL 120 Ca 0.01 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 3ipm s VAL 120 Cb -0.14 -1.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.88 3ipm s VAL 120 CO 0.02 0.42 0.76 -0.70 0.00 0.00 0.00 175.10 175.60 3ipm s GLU 121 N 0.30 4.37 0.17 2.72 2.12 -1.26 -1.94 118.70 125.18 3ipm s GLU 121 Ca -0.10 0.99 0.00 0.00 0.36 0.00 0.00 54.97 56.22 3ipm s GLU 121 Cb -0.14 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.26 3ipm s GLU 121 CO 0.04 0.44 0.22 -3.47 -0.54 0.00 0.00 175.26 171.94 3ipm n ASP 122 N 0.98 -0.59 -0.04 -1.70 2.03 -0.95 -5.01 116.55 111.26 3ipm n ASP 122 Ca -0.03 -1.94 -0.10 0.00 0.52 0.00 0.00 54.79 53.24 3ipm n ASP 122 Cb 0.50 1.14 -0.09 0.00 -0.72 0.00 0.00 41.12 41.95 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 1.49 1.21 -4.12 5.18 2.04 -1.92 -3.40 117.51 118.00 3ipm h ILE 123 Ca -0.13 -1.80 -0.18 0.00 1.00 0.00 0.00 64.86 63.76 3ipm h ILE 123 Cb 0.57 2.24 -0.15 0.00 -0.74 0.00 0.00 36.82 38.75 3ipm h ILE 123 CO 0.17 0.39 -0.68 -0.72 0.00 0.00 0.00 178.15 177.32 3ipm s TYR 124 N -2.33 0.75 -0.25 1.37 -0.85 -1.26 -1.75 117.35 113.03 3ipm s TYR 124 Ca -0.13 -1.06 -0.13 0.00 -0.52 0.00 0.00 57.07 55.23 3ipm s TYR 124 Cb -0.02 -0.47 0.08 0.00 0.38 0.00 0.00 41.96 41.93 3ipm s TYR 124 CO 0.49 -0.33 0.60 0.00 -1.52 0.00 0.00 175.55 174.79 3ipm s ALA 125 N -3.84 -1.64 -0.29 9.51 0.00 -1.09 -4.98 121.76 119.44 3ipm s ALA 125 Ca 0.13 2.14 -0.02 0.00 0.00 0.00 0.00 51.96 54.21 3ipm s ALA 125 Cb 0.07 -1.31 0.05 0.00 0.00 0.00 0.00 23.12 21.92 3ipm s ALA 125 CO -0.05 -0.41 -0.01 0.45 0.00 0.00 0.00 175.76 175.74 3ipm s SER 126 N 1.71 4.80 -0.13 0.00 0.15 -1.26 -1.61 113.70 117.36 3ipm s SER 126 Ca -0.09 -1.20 -0.09 0.00 0.70 0.00 0.00 55.95 55.26 3ipm s SER 126 Cb -0.07 -1.70 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 3ipm s SER 126 CO -0.18 -0.24 0.17 0.42 1.20 0.00 0.00 173.24 174.62 3ipm s THR 127 N 1.26 5.43 0.00 6.45 -4.23 -0.81 -4.72 115.64 119.03 3ipm s THR 127 Ca -0.04 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 3ipm s THR 127 Cb -0.19 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.19 3ipm s THR 127 CO -0.02 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 3ipm n GLY 128 N 2.44 3.75 0.38 3.99 0.00 -1.26 -0.76 105.19 113.72 3ipm n GLY 128 Ca -0.18 -1.74 0.18 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.15 1.61 4.64 -1.97 0.05 113.55 117.74 3ipm h SER 129 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3ipm h SER 129 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 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 -1.42 4.58 0.15 -0.77 0.00 -1.26 -4.67 105.19 101.80 3ipm n GLY 130 Ca 0.05 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.95 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 0.91 0.00 0.06 1.61 4.64 -1.26 -3.00 113.55 116.52 3ipm h SER 131 Ca 0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3ipm h SER 131 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3ipm h SER 131 CO 0.14 0.57 -0.02 -0.65 -0.87 0.00 0.00 176.83 175.99 3ipm h PRO 132 N 0.00 0.00 0.09 4.77 0.11 -1.83 0.40 132.00 135.54 3ipm h PRO 132 Ca -0.01 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 3ipm h PRO 132 Cb 1.13 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3ipm h PRO 132 CO 0.07 0.02 -0.65 0.74 -0.21 0.00 0.00 178.00 177.97 3ipm h PHE 133 N 0.00 0.35 -0.32 0.65 0.04 -1.90 -2.51 116.94 113.24 3ipm h PHE 133 Ca -0.00 -0.25 0.01 0.00 2.80 0.00 0.00 57.97 60.53 3ipm h PHE 133 Cb 0.06 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3ipm h PHE 133 CO 0.00 1.25 0.21 0.28 -0.60 0.00 0.00 178.31 179.46 3ipm h VAL 134 N -0.58 1.06 0.00 -0.55 2.07 -1.24 0.84 116.25 117.84 3ipm h VAL 134 Ca -0.13 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3ipm h VAL 134 Cb 1.45 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3ipm h VAL 134 CO 0.08 0.07 0.00 -1.22 0.02 0.00 0.00 177.57 176.52 3ipm n TYR 135 N -4.49 0.49 -0.06 1.57 4.01 0.13 -1.72 117.16 117.09 3ipm n TYR 135 Ca 0.02 0.15 -0.19 0.00 -0.16 0.00 0.00 57.90 57.72 3ipm n TYR 135 Cb 0.09 -0.74 -0.13 0.00 -0.31 0.00 0.00 39.34 38.25 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 4.31 0.09 0.94 2.72 0.00 0.11 -3.19 103.07 108.05 3ipm h GLY 136 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3ipm h GLY 136 CO 0.00 0.20 -0.36 -2.08 0.00 0.00 0.00 176.54 174.30 3ipm h VAL 137 N -0.79 0.21 -1.00 4.60 2.07 -0.98 -3.16 116.25 117.21 3ipm h VAL 137 Ca -0.22 -0.10 0.24 0.00 0.82 0.00 0.00 66.70 67.44 3ipm h VAL 137 Cb 1.35 0.24 -0.09 0.00 -1.52 0.00 0.00 31.29 31.26 3ipm h VAL 137 CO -0.06 0.01 0.64 -0.07 0.02 0.00 0.00 177.57 178.11 3ipm h LEU 138 N -1.09 0.50 -0.70 2.57 3.38 -1.52 0.57 115.31 119.04 3ipm h LEU 138 Ca -0.10 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ipm h LEU 138 Cb 0.79 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3ipm h LEU 138 CO 0.17 0.14 0.00 -0.62 0.09 0.00 0.00 178.44 178.22 3ipm n GLU 139 N -4.63 0.87 -0.38 1.13 -0.58 -1.19 -1.91 120.64 113.95 3ipm n GLU 139 Ca 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 3ipm n GLU 139 Cb 0.78 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 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 0.12 -4.96 113.62 113.17 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 0.15 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 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 0.61 -3.22 -1.46 6.02 -0.73 -5.05 117.38 113.55 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 -0.05 -0.06 0.00 1.02 0.00 0.00 30.24 31.67 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 -0.13 1.08 5.04 -0.80 -5.00 117.35 121.21 3ipm s TYR 142 Ca 0.00 1.26 -0.06 0.00 -2.44 0.00 0.00 57.07 55.82 3ipm s TYR 142 Cb 0.00 -2.51 0.05 0.00 0.35 0.00 0.00 41.96 39.85 3ipm s TYR 142 CO 0.00 0.42 0.30 0.45 -1.34 0.00 0.00 175.55 175.38 3ipm s SER 143 N -1.57 -0.29 0.36 4.32 0.15 -1.26 -4.99 113.70 110.41 3ipm s SER 143 Ca 0.38 0.65 0.17 0.00 0.70 0.00 0.00 55.95 57.85 3ipm s SER 143 Cb -0.17 0.56 1.11 0.00 -1.71 0.00 0.00 66.02 65.81 3ipm s SER 143 CO 0.20 -0.18 1.69 -0.33 1.20 0.00 0.00 173.24 175.82 3ipm h GLU 144 N 7.29 0.33 0.20 5.44 5.08 -1.98 -2.26 114.58 128.68 3ipm h GLU 144 Ca -0.37 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3ipm h GLU 144 Cb 1.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3ipm h GLU 144 CO 0.33 0.22 -0.09 0.87 -1.00 0.00 0.00 179.01 179.33 3ipm h LYS 145 N 0.34 -0.25 0.00 2.33 1.57 -1.97 -3.41 116.57 115.17 3ipm h LYS 145 Ca 0.71 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.51 3ipm h LYS 145 Cb 1.70 0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.07 3ipm h LYS 145 CO -0.51 -0.14 0.00 -1.33 -0.57 0.00 0.00 179.45 176.90 3ipm n MET 146 N -5.19 0.00 -2.07 3.15 2.81 -0.85 -4.86 117.12 110.11 3ipm n MET 146 Ca -0.09 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.50 3ipm n MET 146 Cb 0.14 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.66 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 4.67 0.40 2.03 -4.23 -1.26 -4.80 115.64 112.46 3ipm s THR 147 Ca 0.00 0.68 0.15 0.00 -1.18 0.00 0.00 61.69 61.33 3ipm s THR 147 Cb 0.00 -3.84 0.36 0.00 1.34 0.00 0.00 72.50 70.36 3ipm s THR 147 CO 0.00 -1.04 1.86 0.58 -0.54 0.00 0.00 174.62 175.49 3ipm h VAL 148 N -0.20 0.73 0.05 2.29 2.07 -1.96 0.44 116.25 119.67 3ipm h VAL 148 Ca -0.45 -0.17 -0.30 0.00 0.82 0.00 0.00 66.70 66.61 3ipm h VAL 148 Cb 1.20 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3ipm h VAL 148 CO 0.62 0.09 -1.63 0.44 0.02 0.00 0.00 177.57 177.11 3ipm h ASP 149 N 0.49 0.15 0.25 0.57 3.32 -2.00 -3.15 116.42 116.06 3ipm h ASP 149 Ca 0.45 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3ipm h ASP 149 Cb 1.01 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 3ipm h ASP 149 CO -0.19 1.24 -0.16 -0.33 -1.72 0.00 0.00 179.24 178.08 3ipm h GLU 150 N 0.03 0.00 0.35 3.56 5.08 -1.63 -2.29 114.58 119.68 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 0.16 -0.17 0.78 -1.00 0.00 0.00 179.01 178.89 3ipm h GLY 151 N 0.67 -0.49 0.85 -3.84 0.00 -1.02 -1.07 103.07 98.18 3ipm h GLY 151 Ca -0.00 0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.59 3ipm h GLY 151 CO 0.02 -0.18 0.50 -2.08 0.00 0.00 0.00 176.54 174.80 3ipm h VAL 152 N -0.96 0.18 0.00 4.60 2.07 -1.44 0.21 116.25 120.92 3ipm h VAL 152 Ca -0.05 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 3ipm h VAL 152 Cb 0.52 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3ipm h VAL 152 CO 0.08 0.00 -0.53 0.44 0.02 0.00 0.00 177.57 177.58 3ipm h ASP 153 N 0.00 0.00 -0.25 0.57 3.32 -1.30 -3.23 116.42 115.52 3ipm h ASP 153 Ca 0.13 -0.73 0.06 0.00 0.02 0.00 0.00 57.03 56.51 3ipm h ASP 153 Cb 1.12 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.60 3ipm h ASP 153 CO -0.00 1.18 -0.34 0.25 -1.72 0.00 0.00 179.24 178.61 3ipm h LEU 154 N -1.00 -1.08 -0.73 1.55 5.85 0.32 0.10 115.31 120.33 3ipm h LEU 154 Ca -0.14 0.17 0.16 0.00 0.84 0.00 0.00 57.88 58.91 3ipm h LEU 154 Cb 1.08 0.48 -0.11 0.00 0.37 0.00 0.00 40.66 42.47 3ipm h LEU 154 CO -0.09 -0.35 0.14 -0.37 -0.34 0.00 0.00 178.44 177.43 3ipm h VAL 155 N -0.34 0.48 0.06 1.05 -1.51 -1.26 -1.52 116.25 113.21 3ipm h VAL 155 Ca 0.13 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 65.51 3ipm h VAL 155 Cb 0.55 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 3ipm h VAL 155 CO -0.44 0.04 -0.03 0.40 -1.23 0.00 0.00 177.57 176.31 3ipm h ILE 156 N 0.23 1.09 -0.96 7.19 2.04 -1.16 -2.61 117.51 123.32 3ipm h ILE 156 Ca 0.41 -0.48 0.28 0.00 1.00 0.00 0.00 64.86 66.07 3ipm h ILE 156 Cb 0.71 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3ipm h ILE 156 CO -0.53 0.12 0.76 0.03 0.00 0.00 0.00 178.15 178.53 3ipm h ARG 157 N -0.29 0.00 0.00 2.37 3.08 0.14 -0.82 114.38 118.86 3ipm h ARG 157 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3ipm h ARG 157 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3ipm h ARG 157 CO 0.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 3ipm n ALA 158 N -2.63 -0.07 0.12 0.04 0.00 -0.87 -2.94 120.51 114.15 3ipm n ALA 158 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.69 3ipm n ALA 158 Cb 1.09 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.80 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 -1.96 0.80 0.07 0.00 5.41 -1.05 0.46 119.36 123.10 3ipm n ILE 159 Ca 0.00 0.67 0.05 0.00 1.00 0.00 0.00 62.75 64.47 3ipm n ILE 159 Cb 0.00 -1.67 -0.04 0.00 -0.71 0.00 0.00 39.64 37.22 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 0.30 4.38 0.02 -1.24 -2.47 113.55 114.55 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 0.53 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 3ipm h SER 160 CO 0.00 0.35 -1.92 0.00 -1.14 0.00 0.00 176.83 174.12 3ipm n ALA 161 N -2.30 1.35 -0.17 3.77 0.00 0.17 -3.98 120.51 119.36 3ipm n ALA 161 Ca -0.05 -0.83 -0.07 0.00 0.00 0.00 0.00 53.44 52.49 3ipm n ALA 161 Cb 0.72 -0.67 0.02 0.00 0.00 0.00 0.00 19.45 19.52 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 0.72 0.63 0.00 0.00 0.00 -0.82 0.99 119.26 120.79 3ipm h ALA 162 Ca -0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ipm h ALA 162 Cb 2.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3ipm h ALA 162 CO 0.06 0.13 0.00 1.63 0.00 0.00 0.00 179.25 181.08 3ipm n LYS 163 N -4.68 0.04 0.00 0.00 5.02 -0.93 -1.02 118.16 116.59 3ipm n LYS 163 Ca 0.02 0.30 0.12 0.00 -2.02 0.00 0.00 58.31 56.73 3ipm n LYS 163 Cb 0.07 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.34 0.66 0.00 1.97 1.13 0.34 -4.56 117.38 115.58 3ipm n GLN 164 Ca 0.02 -0.49 0.00 0.00 -1.94 0.00 0.00 57.00 54.59 3ipm n GLN 164 Cb 0.03 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.89 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 -0.74 1.22 -2.78 -1.09 5.12 -0.64 -5.00 116.66 112.74 3ipm n ARG 165 Ca 0.08 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.58 3ipm n ARG 165 Cb 0.38 -0.67 -0.03 0.00 -1.16 0.00 0.00 32.46 30.98 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 -1.83 6.35 0.12 0.55 2.15 -0.19 -4.88 116.67 118.94 3ipm s ASP 166 Ca 0.00 -1.28 0.05 0.00 0.43 0.00 0.00 52.55 51.75 3ipm s ASP 166 Cb 0.00 -2.46 0.25 0.00 -0.30 0.00 0.00 42.92 40.41 3ipm s ASP 166 CO 0.00 -1.41 0.98 -1.54 -0.17 0.00 0.00 175.17 173.03 3ipm n SER 167 N 7.83 0.12 0.01 -0.34 3.41 -1.26 -0.94 113.62 122.45 3ipm n SER 167 Ca 0.11 0.39 0.11 0.00 -0.26 0.00 0.00 58.87 59.22 3ipm n SER 167 Cb 0.48 -0.37 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.39 3.64 -2.69 7.33 0.00 -1.26 -4.95 120.51 121.20 3ipm n ALA 168 Ca -0.00 -0.50 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 3ipm n ALA 168 Cb 0.24 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 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 -3.82 5.09 0.00 0.00 0.01 -0.11 -2.56 113.70 112.30 3ipm s SER 169 Ca 0.02 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.20 3ipm s SER 169 Cb 0.15 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 65.09 3ipm s SER 169 CO 0.85 0.24 0.00 0.61 0.41 0.00 0.00 173.24 175.35 3ipm n GLY 170 N 1.05 -1.21 4.14 3.44 0.00 -1.26 -4.77 105.19 106.58 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 -0.48 0.00 -0.02 0.00 -1.26 -2.21 105.19 101.21 3ipm n GLY 171 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 0.20 -3.41 1.61 0.00 -1.26 -4.88 117.12 109.37 3ipm n MET 172 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.70 57.43 3ipm n MET 172 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.11 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 -0.72 0.19 0.17 1.12 1.01 -1.26 -4.10 121.20 117.60 3ipm s ILE 173 Ca 0.00 -2.10 -0.31 0.00 0.00 0.00 0.00 60.65 58.24 3ipm s ILE 173 Cb 0.00 -1.14 -0.10 0.00 0.01 0.00 0.00 42.46 41.23 3ipm s ILE 173 CO 0.00 -1.07 1.52 -1.81 0.00 0.00 0.00 174.94 173.58 3ipm s ASP 174 N 0.62 6.63 0.05 3.58 1.01 -1.21 -4.88 116.67 122.47 3ipm s ASP 174 Ca 0.25 2.58 0.03 0.00 0.71 0.00 0.00 52.55 56.11 3ipm s ASP 174 Cb -0.10 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 3ipm s ASP 174 CO -0.09 -0.78 -0.09 -0.69 0.21 0.00 0.00 175.17 173.73 3ipm s VAL 175 N 0.98 0.63 0.20 -1.27 1.01 -1.26 -1.40 120.40 119.29 3ipm s VAL 175 Ca 0.68 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 3ipm s VAL 175 Cb -0.42 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3ipm s VAL 175 CO 0.33 -0.37 0.21 0.00 0.00 0.00 0.00 175.10 175.26 3ipm s ALA 176 N -1.41 0.72 -0.15 5.51 0.00 -0.98 -1.54 121.76 123.90 3ipm s ALA 176 Ca -0.08 -1.42 -0.06 0.00 0.00 0.00 0.00 51.96 50.40 3ipm s ALA 176 Cb -0.10 1.20 0.07 0.00 0.00 0.00 0.00 23.12 24.29 3ipm s ALA 176 CO 0.01 -0.63 0.33 0.08 0.00 0.00 0.00 175.76 175.54 3ipm s VAL 177 N -4.10 -0.38 -0.33 0.00 1.01 -0.16 -2.91 120.40 113.53 3ipm s VAL 177 Ca 0.31 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.34 3ipm s VAL 177 Cb 0.05 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 3ipm s VAL 177 CO 0.09 0.08 0.36 -0.63 0.00 0.00 0.00 175.10 175.00 3ipm s ILE 178 N 2.18 5.17 -0.05 2.22 1.01 0.65 -2.41 121.20 129.97 3ipm s ILE 178 Ca -0.03 0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.82 3ipm s ILE 178 Cb -0.11 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 3ipm s ILE 178 CO -0.10 -0.05 -0.23 -0.89 0.00 0.00 0.00 174.94 173.66 3ipm s THR 179 N 2.03 2.21 0.55 2.92 2.01 -1.19 -1.59 115.64 122.58 3ipm s THR 179 Ca 0.12 -1.02 0.29 0.00 0.31 0.00 0.00 61.69 61.39 3ipm s THR 179 Cb -0.16 -1.81 0.42 0.00 0.01 0.00 0.00 72.50 70.96 3ipm s THR 179 CO 0.11 0.57 1.93 -0.09 -0.69 0.00 0.00 174.62 176.46 3ipm h ARG 180 N 5.91 0.00 0.00 4.92 9.65 -1.91 1.30 114.38 134.25 3ipm h ARG 180 Ca -0.35 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.51 3ipm h ARG 180 Cb 1.16 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.74 3ipm h ARG 180 CO 0.48 0.00 -0.13 -0.22 2.80 0.00 0.00 179.97 182.90 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 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3ipm h LYS 181 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3ipm h LYS 181 CO -0.00 0.69 -0.27 -0.25 -2.27 0.00 0.00 179.45 177.35 3ipm n ASP 182 N -4.64 1.83 -0.66 4.20 8.00 -0.93 -5.08 116.55 119.27 3ipm n ASP 182 Ca -0.09 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.00 3ipm n ASP 182 Cb 0.36 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.41 3.68 0.44 0.00 0.44 -4.58 105.19 106.12 3ipm n GLY 183 Ca 0.12 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.32 2.41 -3.36 1.61 4.19 -1.07 -3.20 117.16 116.41 3ipm n TYR 184 Ca 0.00 0.21 -0.09 0.00 3.31 0.00 0.00 57.90 61.33 3ipm n TYR 184 Cb 0.00 -2.58 -0.08 0.00 0.49 0.00 0.00 39.34 37.17 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 0.93 -0.61 0.24 2.97 1.01 -1.01 -4.98 120.40 118.95 3ipm s VAL 185 Ca 0.77 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.43 3ipm s VAL 185 Cb -0.63 -0.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.86 3ipm s VAL 185 CO 0.37 -0.11 0.87 -1.58 0.00 0.00 0.00 175.10 174.65 3ipm s GLN 186 N 2.55 4.63 0.50 2.72 0.74 -1.26 -0.99 119.66 128.55 3ipm s GLN 186 Ca 0.12 1.28 -0.18 0.00 0.05 0.00 0.00 55.36 56.64 3ipm s GLN 186 Cb -0.15 -3.08 -0.08 0.00 1.10 0.00 0.00 33.01 30.79 3ipm s GLN 186 CO -0.16 0.45 0.99 -0.51 -0.55 0.00 0.00 175.29 175.51 3ipm s LEU 187 N -1.53 3.69 0.42 3.68 1.43 -0.59 -4.96 118.68 120.81 3ipm s LEU 187 Ca 0.43 1.63 -0.23 0.00 -1.03 0.00 0.00 54.13 54.93 3ipm s LEU 187 Cb -0.22 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.39 3ipm s LEU 187 CO 0.27 -0.60 1.04 -2.84 0.23 0.00 0.00 176.35 174.45 3ipm s PRO 188 N -3.85 4.08 0.15 1.29 0.02 -1.26 -4.81 135.00 130.61 3ipm s PRO 188 Ca 0.60 1.45 -0.24 0.00 0.02 0.00 0.00 61.00 62.83 3ipm s PRO 188 Cb -0.11 -2.41 0.01 0.00 0.02 0.00 0.00 34.50 32.01 3ipm s PRO 188 CO 0.28 -0.21 1.62 1.15 -0.33 0.00 0.00 177.00 179.50 3ipm h THR 189 N 2.02 0.32 -0.62 0.99 2.02 -1.98 -2.16 112.91 113.49 3ipm h THR 189 Ca -0.49 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.82 3ipm h THR 189 Cb 1.21 0.32 -0.12 0.00 -1.74 0.00 0.00 68.15 67.82 3ipm h THR 189 CO 0.61 0.00 -0.17 -2.24 0.37 0.00 0.00 175.52 174.10 3ipm h ASP 190 N -0.32 -0.61 -0.74 4.18 2.03 -2.00 0.41 116.42 119.37 3ipm h ASP 190 Ca 0.12 0.19 0.11 0.00 -0.73 0.00 0.00 57.03 56.72 3ipm h ASP 190 Cb 0.51 0.40 -0.05 0.00 -0.83 0.00 0.00 39.33 39.36 3ipm h ASP 190 CO -0.39 -0.21 0.49 -0.61 -1.03 0.00 0.00 179.24 177.48 3ipm h GLN 191 N -0.01 0.58 -0.26 4.15 4.15 -1.79 -0.23 115.11 121.69 3ipm h GLN 191 Ca 0.30 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.57 3ipm h GLN 191 Cb 0.46 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 3ipm h GLN 191 CO -0.64 0.38 -0.28 0.82 -1.93 0.00 0.00 178.83 177.18 3ipm h ILE 192 N 0.60 1.31 -0.83 2.39 1.08 -0.55 -2.91 117.51 118.59 3ipm h ILE 192 Ca 0.34 -1.45 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 3ipm h ILE 192 Cb 0.54 1.64 -0.04 0.00 -3.07 0.00 0.00 36.82 35.89 3ipm h ILE 192 CO -0.12 0.46 0.53 -0.33 -0.69 0.00 0.00 178.15 178.00 3ipm h GLU 193 N 0.38 1.10 -0.12 2.37 5.08 -0.29 -1.87 114.58 121.24 3ipm h GLU 193 Ca 0.04 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3ipm h GLU 193 Cb 0.85 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 3ipm h GLU 193 CO 0.07 0.75 -0.38 0.77 -1.00 0.00 0.00 179.01 179.22 3ipm h SER 194 N 1.13 -1.18 -0.46 1.42 0.02 -0.92 -0.67 113.55 112.88 3ipm h SER 194 Ca 0.30 0.16 0.09 0.00 -0.84 0.00 0.00 61.79 61.50 3ipm h SER 194 Cb -0.10 0.48 -0.09 0.00 0.14 0.00 0.00 62.40 62.84 3ipm h SER 194 CO -0.06 -0.40 -0.11 0.03 -1.14 0.00 0.00 176.83 175.14 3ipm h ARG 195 N -0.46 0.00 0.00 3.45 2.47 -1.23 -2.71 114.38 115.90 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 0.60 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 3ipm h ARG 195 CO -0.37 0.00 0.00 -0.89 0.56 0.00 0.00 179.97 179.27 3ipm n ILE 196 N -5.34 0.00 -0.27 2.04 5.41 -0.56 -2.56 119.36 118.08 3ipm n ILE 196 Ca 0.04 1.27 0.27 0.00 1.00 0.00 0.00 62.75 65.32 3ipm n ILE 196 Cb 0.25 -2.09 0.49 0.00 -0.71 0.00 0.00 39.64 37.58 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 -1.57 -0.05 -0.06 0.38 1.74 -0.37 0.04 116.66 116.77 3ipm n ARG 197 Ca 0.00 1.18 -0.11 0.00 -0.77 0.00 0.00 57.85 58.14 3ipm n ARG 197 Cb 0.00 -2.11 -0.05 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 0.32 0.55 5.56 2.10 -1.30 -3.26 116.57 120.54 3ipm h LYS 198 Ca 0.72 -0.09 -0.02 0.00 -2.00 0.00 0.00 60.65 59.26 3ipm h LYS 198 Cb 1.88 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 33.17 3ipm h LYS 198 CO -0.66 0.49 -0.41 -0.07 -2.00 0.00 0.00 179.45 176.80 3ipm h LEU 199 N 0.10 -1.09 0.00 7.07 3.38 -0.11 -3.47 115.31 121.19 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 0.33 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3ipm h LEU 199 CO 0.01 -0.59 0.00 0.61 0.09 0.00 0.00 178.44 178.55 3ipm n GLY 200 N -1.49 0.00 3.99 0.83 0.00 -1.00 -5.14 105.19 102.38 3ipm n GLY 200 Ca -0.11 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 3.94 -0.09 0.99 1.43 -1.25 -5.06 118.68 118.64 3ipm s LEU 201 Ca 0.00 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3ipm s LEU 201 Cb 0.00 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.49 3ipm s LEU 201 CO 0.00 -0.47 -0.00 0.27 0.23 0.00 0.00 176.35 176.38 3ipm s ILE 202 N -2.20 0.47 0.00 -0.59 -4.36 -1.26 -4.57 121.20 108.69 3ipm s ILE 202 Ca 0.46 -0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.85 3ipm s ILE 202 Cb -0.10 -0.65 0.00 0.00 1.25 0.00 0.00 42.46 42.96 3ipm s ILE 202 CO 0.31 0.22 0.00 -0.11 0.24 0.00 0.00 174.94 175.61