#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lmu s ARG 2 N 0.00 0.83 -0.03 2.12 0.52 -0.09 -1.57 118.95 120.74 3lmu s ARG 2 Ca 0.00 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 3lmu s ARG 2 Cb 0.00 -0.80 0.01 0.00 0.52 0.00 0.00 34.95 34.67 3lmu s ARG 2 CO 0.00 0.02 -0.08 0.54 0.02 0.00 0.00 175.30 175.79 3lmu s VAL 3 N 0.51 0.74 -0.24 3.52 0.11 -0.43 0.44 120.40 125.05 3lmu s VAL 3 Ca -0.07 -0.32 -0.07 0.00 -2.93 0.00 0.00 61.98 58.59 3lmu s VAL 3 Cb -0.11 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3lmu s VAL 3 CO 0.00 0.24 0.06 -0.69 -3.33 0.00 0.00 175.10 171.39 3lmu s VAL 4 N 0.31 4.27 -0.16 2.04 1.01 -0.80 -1.57 120.40 125.51 3lmu s VAL 4 Ca -0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 3lmu s VAL 4 Cb -0.09 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3lmu s VAL 4 CO 0.01 0.35 -0.01 -0.63 0.00 0.00 0.00 175.10 174.82 3lmu s ILE 5 N 1.54 4.16 -0.14 2.22 1.01 0.10 -1.40 121.20 128.69 3lmu s ILE 5 Ca 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.46 3lmu s ILE 5 Cb -0.15 -2.84 0.02 0.00 0.01 0.00 0.00 42.46 39.50 3lmu s ILE 5 CO 0.03 0.49 -0.17 -1.10 0.00 0.00 0.00 174.94 174.18 3lmu s GLN 6 N 0.35 2.55 0.12 2.79 -1.52 -0.45 -0.81 119.66 122.69 3lmu s GLN 6 Ca -0.02 -0.67 -0.30 0.00 -1.95 0.00 0.00 55.36 52.41 3lmu s GLN 6 Cb -0.14 -2.18 -0.07 0.00 -0.22 0.00 0.00 33.01 30.41 3lmu s GLN 6 CO 0.02 -0.11 1.21 0.50 -0.25 0.00 0.00 175.29 176.66 3lmu s ARG 7 N 1.11 4.45 0.06 2.91 3.52 -0.87 -0.99 118.95 129.13 3lmu s ARG 7 Ca -0.02 1.83 0.02 0.00 -0.13 0.00 0.00 55.73 57.43 3lmu s ARG 7 Cb -0.14 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 3lmu s ARG 7 CO -0.05 -0.20 -0.07 0.14 -0.81 0.00 0.00 175.30 174.31 3lmu s VAL 8 N 0.61 0.53 -0.14 7.11 -7.23 0.03 -0.92 120.40 120.41 3lmu s VAL 8 Ca 0.57 -1.32 0.15 0.00 -1.81 0.00 0.00 61.98 59.57 3lmu s VAL 8 Cb -0.31 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.71 3lmu s VAL 8 CO 0.32 -0.54 1.22 0.11 -0.31 0.00 0.00 175.10 175.89 3lmu h LYS 9 N 4.06 0.00 -1.33 4.82 1.79 -0.94 -2.08 116.57 122.89 3lmu h LYS 9 Ca -0.35 0.00 0.31 0.00 -2.18 0.00 0.00 60.65 58.42 3lmu h LYS 9 Cb 1.19 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.67 3lmu h LYS 9 CO 0.48 0.44 0.87 0.20 -1.08 0.00 0.00 179.45 180.36 3lmu s GLY 10 N -4.58 -0.34 -0.01 3.86 0.00 -1.22 -1.14 107.32 103.89 3lmu s GLY 10 Ca 0.01 1.31 -0.11 0.00 0.00 0.00 0.00 44.72 45.94 3lmu s GLY 10 CO 0.77 0.39 0.23 0.00 0.00 0.00 0.00 173.10 174.49 3lmu s ALA 11 N -2.30 -0.56 -0.35 3.20 0.00 0.39 -1.27 121.76 120.86 3lmu s ALA 11 Ca 0.12 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.22 3lmu s ALA 11 Cb 0.02 0.06 0.14 0.00 0.00 0.00 0.00 23.12 23.33 3lmu s ALA 11 CO -0.04 -0.23 0.20 0.42 0.00 0.00 0.00 175.76 176.12 3lmu s ILE 12 N -1.25 0.21 -0.01 0.00 1.01 -0.82 -0.67 121.20 119.68 3lmu s ILE 12 Ca -0.13 -1.68 -0.29 0.00 0.00 0.00 0.00 60.65 58.55 3lmu s ILE 12 Cb -0.06 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 3lmu s ILE 12 CO 0.03 -0.96 0.94 -0.22 0.00 0.00 0.00 174.94 174.72 3lmu s LEU 13 N 1.12 4.37 0.20 2.97 0.20 -0.25 -2.65 118.68 124.64 3lmu s LEU 13 Ca 0.17 1.59 0.02 0.00 0.69 0.00 0.00 54.13 56.60 3lmu s LEU 13 Cb -0.22 -3.49 -0.05 0.00 -0.43 0.00 0.00 46.19 41.99 3lmu s LEU 13 CO -0.02 -0.23 0.01 -0.44 -0.29 0.00 0.00 176.35 175.38 3lmu s SER 14 N 0.95 1.40 -0.00 3.68 0.01 -0.37 -1.89 113.70 117.48 3lmu s SER 14 Ca 0.50 -1.22 0.01 0.00 1.31 0.00 0.00 55.95 56.54 3lmu s SER 14 Cb -0.21 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.12 3lmu s SER 14 CO 0.27 -0.57 0.66 1.33 0.41 0.00 0.00 173.24 175.33 3lmu n VAL 15 N -0.33 0.21 -3.44 3.43 0.24 -1.26 -1.25 118.33 115.93 3lmu n VAL 15 Ca -0.05 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.34 61.60 3lmu n VAL 15 Cb 0.64 0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 33.76 3lmu n VAL 15 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3lmu s LEU 27 N -0.24 5.86 -0.06 1.34 1.98 -1.26 -4.88 118.68 121.43 3lmu s LEU 27 Ca 0.01 -1.77 0.05 0.00 -2.89 0.00 0.00 54.13 49.53 3lmu s LEU 27 Cb 0.01 -2.11 -0.01 0.00 0.66 0.00 0.00 46.19 44.73 3lmu s LEU 27 CO 0.00 -0.75 -0.23 -1.83 -1.89 0.00 0.00 176.35 171.65 3lmu s GLU 28 N 1.50 2.59 0.18 1.98 -1.05 -1.26 -5.09 118.70 117.54 3lmu s GLU 28 Ca 0.04 -0.86 -0.30 0.00 -0.15 0.00 0.00 54.97 53.70 3lmu s GLU 28 Cb -0.27 -2.22 -0.08 0.00 -0.44 0.00 0.00 34.13 31.11 3lmu s GLU 28 CO 0.02 0.41 1.27 0.42 0.95 0.00 0.00 175.26 178.33 3lmu s ILE 29 N -0.22 3.39 0.00 1.83 1.01 -1.26 -4.21 121.20 121.74 3lmu s ILE 29 Ca -0.01 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.76 3lmu s ILE 29 Cb -0.13 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3lmu s ILE 29 CO 0.03 0.16 0.13 2.30 0.00 0.00 0.00 174.94 177.57 3lmu n ILE 30 N 2.80 0.00 -3.64 2.92 -5.35 -0.79 -4.95 119.36 110.35 3lmu n ILE 30 Ca 0.06 -0.47 -0.05 0.00 -0.27 0.00 0.00 62.75 62.03 3lmu n ILE 30 Cb 0.44 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 39.29 3lmu n ILE 30 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3lmu s SER 31 N -0.67 -0.56 -0.13 7.28 0.15 -1.17 -4.99 113.70 113.61 3lmu s SER 31 Ca 0.00 0.93 -0.17 0.00 0.70 0.00 0.00 55.95 57.42 3lmu s SER 31 Cb 0.00 1.17 0.04 0.00 -1.71 0.00 0.00 66.02 65.52 3lmu s SER 31 CO 0.00 -0.15 0.44 -0.70 1.20 0.00 0.00 173.24 174.03 3lmu s GLU 32 N 1.15 0.59 0.05 5.44 2.12 -1.26 -1.08 118.70 125.70 3lmu s GLU 32 Ca -0.07 0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.71 3lmu s GLU 32 Cb -0.04 0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.60 3lmu s GLU 32 CO -0.14 -0.11 -0.05 0.96 -0.54 0.00 0.00 175.26 175.39 3lmu s ILE 33 N -0.17 0.35 0.00 -3.70 -4.36 0.15 -4.98 121.20 108.49 3lmu s ILE 33 Ca -0.03 -1.32 0.00 0.00 -0.26 0.00 0.00 60.65 59.04 3lmu s ILE 33 Cb -0.03 -0.86 0.00 0.00 1.25 0.00 0.00 42.46 42.82 3lmu s ILE 33 CO 0.02 -0.64 0.00 2.29 0.24 0.00 0.00 174.94 176.85 3lmu n LYS 34 N 0.97 2.07 -1.68 0.37 -0.00 -1.26 -0.46 118.16 118.16 3lmu n LYS 34 Ca -0.20 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.72 3lmu n LYS 34 Cb 0.57 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.63 3lmu n LYS 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3lmu n ASN 35 N 0.00 2.04 0.00 -5.58 4.13 -0.29 -3.37 115.26 112.19 3lmu n ASN 35 Ca 0.00 1.00 0.00 0.00 1.68 0.00 0.00 54.58 57.26 3lmu n ASN 35 Cb 0.00 -1.48 0.00 0.00 -1.54 0.00 0.00 39.78 36.76 3lmu n ASN 35 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3lmu n GLY 36 N 0.95 0.20 3.57 7.41 0.00 -0.78 -2.15 105.19 114.39 3lmu n GLY 36 Ca 0.09 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 3lmu n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lmu s LEU 37 N 0.00 3.04 -0.18 0.99 1.43 -0.47 -0.79 118.68 122.70 3lmu s LEU 37 Ca 0.00 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3lmu s LEU 37 Cb 0.00 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 3lmu s LEU 37 CO 0.00 0.20 -0.09 -0.51 0.23 0.00 0.00 176.35 176.18 3lmu s ILE 38 N -1.16 3.12 -0.27 -0.59 2.07 -0.16 -1.02 121.20 123.19 3lmu s ILE 38 Ca 0.20 -0.60 -0.01 0.00 -1.41 0.00 0.00 60.65 58.83 3lmu s ILE 38 Cb -0.11 -2.36 0.04 0.00 0.13 0.00 0.00 42.46 40.15 3lmu s ILE 38 CO 0.12 0.48 -0.04 0.00 -1.91 0.00 0.00 174.94 173.59 3lmu s PHE 40 N 1.27 3.05 -0.24 0.00 0.08 -0.49 -1.40 117.98 120.26 3lmu s PHE 40 Ca -0.03 0.45 -0.08 0.00 0.12 0.00 0.00 56.93 57.38 3lmu s PHE 40 Cb -0.18 -3.56 -0.04 0.00 -0.57 0.00 0.00 43.02 38.67 3lmu s PHE 40 CO -0.03 -0.85 0.10 -1.17 -0.10 0.00 0.00 175.22 173.17 3lmu s LEU 41 N 3.26 3.70 -0.32 -0.37 2.96 0.48 -1.90 118.68 126.49 3lmu s LEU 41 Ca 0.32 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 54.09 3lmu s LEU 41 Cb -0.12 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.61 3lmu s LEU 41 CO 0.20 0.01 0.10 -0.83 -1.32 0.00 0.00 176.35 174.51 3lmu s GLY 42 N 1.34 1.82 -0.25 7.98 0.00 0.17 0.65 107.32 119.04 3lmu s GLY 42 Ca 0.06 -1.64 -0.20 0.00 0.00 0.00 0.00 44.72 42.93 3lmu s GLY 42 CO 0.05 0.73 0.63 -0.42 0.00 0.00 0.00 173.10 174.09 3lmu s ILE 43 N 1.44 4.98 0.28 0.90 -1.09 -1.26 -0.91 121.20 125.54 3lmu s ILE 43 Ca 0.00 1.14 -0.18 0.00 -2.23 0.00 0.00 60.65 59.38 3lmu s ILE 43 Cb -0.19 -3.94 -0.09 0.00 -1.58 0.00 0.00 42.46 36.67 3lmu s ILE 43 CO 0.03 0.03 0.76 -2.28 -1.23 0.00 0.00 174.94 172.24 3lmu s HIS 44 N 2.49 3.52 0.21 3.97 2.46 -1.26 -1.76 115.29 124.91 3lmu s HIS 44 Ca 0.26 1.36 -0.09 0.00 0.47 0.00 0.00 55.06 57.07 3lmu s HIS 44 Cb -0.15 -2.62 0.29 0.00 -0.13 0.00 0.00 32.58 29.96 3lmu s HIS 44 CO 0.08 0.21 1.74 1.57 -2.47 0.00 0.00 174.74 175.87 3lmu h LYS 45 N 2.86 0.40 -0.96 2.88 -0.00 -1.56 -0.54 116.57 119.65 3lmu h LYS 45 Ca -0.48 -0.02 -0.17 0.00 -0.00 0.00 0.00 60.65 59.98 3lmu h LYS 45 Cb 1.18 -0.09 -0.10 0.00 -0.00 0.00 0.00 32.23 33.22 3lmu h LYS 45 CO 0.65 0.27 0.22 0.27 -0.00 0.00 0.00 179.45 180.85 3lmu n ASN 46 N -4.99 3.24 -4.73 7.07 6.94 -1.26 -4.91 115.26 116.61 3lmu n ASN 46 Ca 0.09 -2.61 -0.41 0.00 -0.02 0.00 0.00 54.58 51.63 3lmu n ASN 46 Cb 0.28 -0.63 -0.04 0.00 -2.36 0.00 0.00 39.78 37.04 3lmu n ASN 46 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3lmu s ASP 47 N -0.03 7.19 0.35 0.53 1.11 -0.21 -5.02 116.67 120.59 3lmu s ASP 47 Ca 0.23 2.09 0.07 0.00 0.18 0.00 0.00 52.55 55.13 3lmu s ASP 47 Cb 0.19 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.57 3lmu s ASP 47 CO 0.05 -0.31 0.42 0.42 1.18 0.00 0.00 175.17 176.94 3lmu s THR 48 N 0.10 3.66 -0.33 -1.27 -4.23 -1.26 -5.00 115.64 107.32 3lmu s THR 48 Ca 0.52 -1.13 0.26 0.00 -1.18 0.00 0.00 61.69 60.16 3lmu s THR 48 Cb -0.30 -3.26 0.29 0.00 1.34 0.00 0.00 72.50 70.57 3lmu s THR 48 CO 0.34 -0.13 1.79 -0.25 -0.54 0.00 0.00 174.62 175.83 3lmu h TRP 49 N 0.97 0.00 -0.13 3.99 2.91 -2.00 -1.53 115.95 120.16 3lmu h TRP 49 Ca -0.44 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.43 3lmu h TRP 49 Cb 1.26 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.90 3lmu h TRP 49 CO 0.46 0.00 -0.56 0.93 -1.03 0.00 0.00 178.44 178.24 3lmu h GLU 50 N 0.00 0.40 -0.09 2.65 4.39 -1.99 -1.77 114.58 118.16 3lmu h GLU 50 Ca 0.00 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.46 3lmu h GLU 50 Cb 0.41 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3lmu h GLU 50 CO 0.00 0.85 -0.01 -0.44 -1.16 0.00 0.00 179.01 178.25 3lmu h ASP 51 N 0.31 -0.06 -0.35 1.42 3.32 -1.67 -2.02 116.42 117.36 3lmu h ASP 51 Ca 0.00 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.13 3lmu h ASP 51 Cb 1.07 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 3lmu h ASP 51 CO 0.10 -0.02 0.08 0.00 -1.72 0.00 0.00 179.24 177.68 3lmu h ALA 52 N 1.08 0.38 -0.62 3.45 0.00 -1.39 -2.59 119.26 119.57 3lmu h ALA 52 Ca 0.04 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3lmu h ALA 52 Cb 0.06 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3lmu h ALA 52 CO -0.08 -0.32 0.30 -0.07 0.00 0.00 0.00 179.25 179.08 3lmu h LEU 53 N 0.21 0.40 0.10 0.00 3.38 -1.09 -1.02 115.31 117.30 3lmu h LEU 53 Ca 0.16 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3lmu h LEU 53 Cb 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3lmu h LEU 53 CO -0.20 0.25 -0.13 0.22 0.09 0.00 0.00 178.44 178.67 3lmu h TYR 54 N 0.55 -0.33 -0.37 1.13 3.20 -0.99 0.25 116.97 120.41 3lmu h TYR 54 Ca 0.29 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.25 3lmu h TYR 54 Cb 0.27 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.59 3lmu h TYR 54 CO -0.11 -0.19 -0.16 0.82 -1.64 0.00 0.00 178.16 176.87 3lmu h ILE 55 N -0.27 0.50 -0.26 1.81 1.08 -1.15 -0.73 117.51 118.48 3lmu h ILE 55 Ca 0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.51 3lmu h ILE 55 Cb 0.27 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 3lmu h ILE 55 CO -0.05 0.00 0.09 0.40 -0.69 0.00 0.00 178.15 177.90 3lmu h ILE 56 N -0.09 0.93 -0.73 -0.67 2.04 -0.26 0.37 117.51 119.10 3lmu h ILE 56 Ca 0.18 -0.07 0.16 0.00 1.00 0.00 0.00 64.86 66.13 3lmu h ILE 56 Cb 0.37 0.70 -0.13 0.00 -0.74 0.00 0.00 36.82 37.03 3lmu h ILE 56 CO -0.43 0.04 -0.04 0.03 0.00 0.00 0.00 178.15 177.75 3lmu h ARG 57 N 0.21 0.07 0.19 2.37 2.47 0.22 -2.26 114.38 117.66 3lmu h ARG 57 Ca 0.12 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 3lmu h ARG 57 Cb 0.08 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 3lmu h ARG 57 CO -0.12 0.05 -0.09 0.87 0.56 0.00 0.00 179.97 181.24 3lmu h LYS 58 N 0.08 -0.25 -0.65 0.04 1.79 0.36 -1.96 116.57 115.98 3lmu h LYS 58 Ca 0.38 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 59.01 3lmu h LYS 58 Cb 0.65 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.32 3lmu h LYS 58 CO -0.67 0.15 0.44 0.00 -1.08 0.00 0.00 179.45 178.30 3lmu h LEU 60 N 0.27 0.00 0.00 0.00 3.38 -1.37 -3.42 115.31 114.17 3lmu h LEU 60 Ca 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3lmu h LEU 60 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3lmu h LEU 60 CO -0.07 0.06 -0.66 0.59 0.09 0.00 0.00 178.44 178.45 3lmu n ASN 61 N -2.40 3.30 -4.72 -0.43 3.02 -0.32 -4.11 115.26 109.60 3lmu n ASN 61 Ca 0.02 -0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.05 3lmu n ASN 61 Cb 0.48 0.86 -0.02 0.00 -0.61 0.00 0.00 39.78 40.50 3lmu n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3lmu n LEU 62 N -1.19 3.84 -4.43 3.41 4.77 -0.27 -4.75 117.00 118.38 3lmu n LEU 62 Ca 0.00 1.17 -0.44 0.00 -0.03 0.00 0.00 56.01 56.71 3lmu n LEU 62 Cb 0.00 -1.52 -0.05 0.00 -2.33 0.00 0.00 43.42 39.52 3lmu n LEU 62 CO 0.00 -0.18 0.47 -0.13 -1.33 0.00 0.00 177.39 176.22 3lmu s ARG 63 N -0.92 3.12 0.00 3.23 0.52 -1.26 -4.14 118.95 119.49 3lmu s ARG 63 Ca 0.62 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 3lmu s ARG 63 Cb -0.56 -4.17 0.00 0.00 0.52 0.00 0.00 34.95 30.74 3lmu s ARG 63 CO 0.53 -1.45 0.44 1.28 0.02 0.00 0.00 175.30 176.12 3lmu n LEU 64 N 6.62 0.77 -4.30 2.53 4.77 -0.94 -4.23 117.00 122.21 3lmu n LEU 64 Ca -0.06 -0.77 -0.29 0.00 -0.03 0.00 0.00 56.01 54.86 3lmu n LEU 64 Cb 0.45 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.38 3lmu n LEU 64 CO 0.58 0.19 -0.56 0.26 -1.33 0.00 0.00 177.39 176.54 3lmu s TRP 65 N -0.17 2.16 0.00 -1.77 0.51 -0.85 -4.89 118.94 113.93 3lmu s TRP 65 Ca 0.00 -0.40 0.00 0.00 -2.12 0.00 0.00 56.10 53.58 3lmu s TRP 65 Cb 0.00 -1.34 0.00 0.00 -0.81 0.00 0.00 33.47 31.32 3lmu s TRP 65 CO 0.00 0.04 0.00 0.09 -0.51 0.00 0.00 176.95 176.57 3lmu n ASN 66 N 2.13 -0.20 0.02 2.95 3.02 -1.26 -0.93 115.26 120.98 3lmu n ASN 66 Ca -0.16 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3lmu n ASN 66 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3lmu n ASN 66 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3lmu n ASN 67 N -2.84 -0.34 -1.32 6.41 5.15 -1.26 -4.50 115.26 116.56 3lmu n ASN 67 Ca 0.00 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 3lmu n ASN 67 Cb 0.00 0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.84 3lmu n ASN 67 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 3lmu n LYS 70 N -2.42 -2.17 -3.68 1.20 -0.00 -1.26 -5.14 118.16 104.68 3lmu n LYS 70 Ca 0.00 1.62 -0.34 0.00 -0.00 0.00 0.00 58.31 59.59 3lmu n LYS 70 Cb 0.00 -2.11 -0.05 0.00 -0.00 0.00 0.00 35.03 32.86 3lmu n LYS 70 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3lmu s THR 71 N -3.29 5.21 -1.31 0.58 -4.23 -1.26 -4.25 115.64 107.08 3lmu s THR 71 Ca 0.00 0.27 -0.04 0.00 -1.18 0.00 0.00 61.69 60.74 3lmu s THR 71 Cb 0.00 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.25 3lmu s THR 71 CO 0.00 0.31 0.97 0.79 -0.54 0.00 0.00 174.62 176.15 3lmu n TRP 72 N 0.95 -2.31 0.00 3.99 7.02 -1.26 -4.97 117.44 120.86 3lmu n TRP 72 Ca -0.09 0.93 0.00 0.00 -1.02 0.00 0.00 57.50 57.32 3lmu n TRP 72 Cb 0.52 -4.77 0.00 0.00 -2.42 0.00 0.00 31.31 24.65 3lmu n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3lmu n ASP 73 N -3.05 0.00 -4.85 -0.99 2.03 -0.11 -4.60 116.55 104.99 3lmu n ASP 73 Ca -0.18 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.81 3lmu n ASP 73 Cb 0.63 -0.16 -0.06 0.00 -0.72 0.00 0.00 41.12 40.81 3lmu n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3lmu s LYS 74 N -0.32 4.01 0.01 -0.67 -0.14 -0.92 -4.71 119.74 117.01 3lmu s LYS 74 Ca 0.00 0.75 0.00 0.00 -1.36 0.00 0.00 55.97 55.36 3lmu s LYS 74 Cb 0.00 -2.35 0.00 0.00 -1.68 0.00 0.00 37.83 33.80 3lmu s LYS 74 CO 0.00 0.06 0.01 0.27 -0.76 0.00 0.00 175.35 174.93 3lmu n ASN 75 N -0.65 0.80 0.02 2.83 6.94 -1.26 -2.02 115.26 121.92 3lmu n ASN 75 Ca 0.04 -1.03 -0.06 0.00 -0.02 0.00 0.00 54.58 53.52 3lmu n ASN 75 Cb 0.53 -0.00 0.13 0.00 -2.36 0.00 0.00 39.78 38.09 3lmu n ASN 75 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 3lmu h VAL 76 N 0.39 1.30 0.00 3.53 3.04 -1.74 -2.90 116.25 119.88 3lmu h VAL 76 Ca -0.01 -1.56 -0.18 0.00 -1.01 0.00 0.00 66.70 63.94 3lmu h VAL 76 Cb 0.02 1.59 -0.02 0.00 -2.01 0.00 0.00 31.29 30.87 3lmu h VAL 76 CO 0.01 0.49 -0.84 0.11 -1.01 0.00 0.00 177.57 176.33 3lmu h LYS 77 N 0.40 0.11 0.80 4.17 1.57 -1.88 -0.76 116.57 120.97 3lmu h LYS 77 Ca 0.03 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3lmu h LYS 77 Cb 0.88 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.24 3lmu h LYS 77 CO 0.07 0.88 -0.38 -0.44 -0.57 0.00 0.00 179.45 179.01 3lmu h ASP 78 N 0.06 -0.91 0.52 0.86 3.32 -1.86 -2.63 116.42 115.79 3lmu h ASP 78 Ca -0.03 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3lmu h ASP 78 Cb 1.46 0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.24 3lmu h ASP 78 CO 0.12 -0.65 0.00 0.18 -1.72 0.00 0.00 179.24 177.17 3lmu n LEU 79 N -5.55 0.05 -2.65 1.55 4.77 -1.17 -4.91 117.00 109.09 3lmu n LEU 79 Ca -0.15 0.51 -0.05 0.00 -0.03 0.00 0.00 56.01 56.29 3lmu n LEU 79 Cb 0.43 -0.51 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3lmu n LEU 79 CO 0.39 -0.27 0.13 -3.20 -1.33 0.00 0.00 177.39 173.11 3lmu n ASN 80 N -1.56 -5.61 -4.79 -1.43 2.85 -0.99 -5.06 115.26 98.67 3lmu n ASN 80 Ca 0.03 -0.28 -0.29 0.00 -0.11 0.00 0.00 54.58 53.94 3lmu n ASN 80 Cb 0.18 -3.87 -0.06 0.00 1.24 0.00 0.00 39.78 37.27 3lmu n ASN 80 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3lmu s TYR 81 N -3.14 1.98 0.21 1.20 2.02 -0.31 -5.04 117.35 114.28 3lmu s TYR 81 Ca 0.16 -0.83 0.05 0.00 -0.37 0.00 0.00 57.07 56.09 3lmu s TYR 81 Cb -0.02 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3lmu s TYR 81 CO 0.52 0.02 0.26 -1.21 -1.57 0.00 0.00 175.55 173.57 3lmu s GLU 82 N -3.99 3.21 0.05 -0.62 2.02 -0.91 -4.82 118.70 113.63 3lmu s GLU 82 Ca 0.23 -0.82 0.09 0.00 0.02 0.00 0.00 54.97 54.49 3lmu s GLU 82 Cb 0.01 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 3lmu s GLU 82 CO 0.13 0.45 -0.26 -0.51 0.02 0.00 0.00 175.26 175.10 3lmu s LEU 83 N -3.62 2.18 -0.21 1.80 1.02 -0.73 -1.37 118.68 117.74 3lmu s LEU 83 Ca 0.33 -0.59 0.00 0.00 0.02 0.00 0.00 54.13 53.90 3lmu s LEU 83 Cb -0.09 -1.23 0.03 0.00 0.02 0.00 0.00 46.19 44.91 3lmu s LEU 83 CO 0.27 0.24 -0.14 -0.22 0.02 0.00 0.00 176.35 176.52 3lmu s LEU 84 N -1.28 2.67 -0.22 1.79 2.96 -0.19 -1.68 118.68 122.73 3lmu s LEU 84 Ca 0.11 -0.82 -0.09 0.00 -0.22 0.00 0.00 54.13 53.11 3lmu s LEU 84 Cb -0.10 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 3lmu s LEU 84 CO 0.02 -0.06 0.12 -0.63 -1.32 0.00 0.00 176.35 174.48 3lmu s ILE 85 N 1.28 5.10 -0.10 6.68 -1.09 0.01 -0.36 121.20 132.71 3lmu s ILE 85 Ca 0.01 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 3lmu s ILE 85 Cb -0.15 -3.35 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 3lmu s ILE 85 CO -0.09 0.39 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.23 3lmu s VAL 86 N 0.83 1.05 0.18 2.92 1.01 -0.49 -3.39 120.40 122.51 3lmu s VAL 86 Ca 0.06 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.40 3lmu s VAL 86 Cb -0.13 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 3lmu s VAL 86 CO 0.02 0.36 1.46 -0.55 0.00 0.00 0.00 175.10 176.40 3lmu s SER 87 N 1.41 6.69 -0.29 3.32 0.15 -1.26 -0.38 113.70 123.34 3lmu s SER 87 Ca -0.01 2.54 -0.02 0.00 0.70 0.00 0.00 55.95 59.17 3lmu s SER 87 Cb -0.13 -2.60 0.12 0.00 -1.71 0.00 0.00 66.02 61.70 3lmu s SER 87 CO -0.05 -0.72 0.24 -1.58 1.20 0.00 0.00 173.24 172.33 3lmu s GLN 88 N 0.56 0.29 0.25 5.44 2.00 0.21 -4.81 119.66 123.61 3lmu s GLN 88 Ca 0.64 -0.34 0.25 0.00 -2.00 0.00 0.00 55.36 53.92 3lmu s GLN 88 Cb -0.41 -0.85 0.67 0.00 0.80 0.00 0.00 33.01 33.22 3lmu s GLN 88 CO 0.35 -1.04 1.70 0.27 -0.50 0.00 0.00 175.29 176.08 3lmu h PHE 89 N 8.24 0.00 0.00 1.67 -5.15 -1.94 -3.22 116.94 116.54 3lmu h PHE 89 Ca -0.14 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.63 3lmu h PHE 89 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.22 3lmu h PHE 89 CO 0.29 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 176.85 3lmu n THR 90 N -2.44 0.92 -0.30 0.88 -2.24 -1.26 -0.64 114.28 109.20 3lmu n THR 90 Ca 0.05 0.43 0.02 0.00 -2.27 0.00 0.00 64.05 62.28 3lmu n THR 90 Cb 0.45 -1.39 0.15 0.00 -2.10 0.00 0.00 70.33 67.44 3lmu n THR 90 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3lmu h LEU 91 N 0.00 0.77 -1.37 3.22 3.38 -1.94 0.06 115.31 119.43 3lmu h LEU 91 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3lmu h LEU 91 Cb 0.22 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3lmu h LEU 91 CO 0.00 0.48 0.01 0.49 0.09 0.00 0.00 178.44 179.50 3lmu n PHE 92 N -4.67 0.14 -2.80 1.13 3.72 0.19 -4.75 117.46 110.42 3lmu n PHE 92 Ca 0.13 -0.16 -0.43 0.00 -0.05 0.00 0.00 57.45 56.94 3lmu n PHE 92 Cb 0.22 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 3lmu n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3lmu s GLY 93 N 0.16 1.35 0.14 1.37 0.00 0.01 -4.27 107.32 106.07 3lmu s GLY 93 Ca 0.03 -1.90 -0.31 0.00 0.00 0.00 0.00 44.72 42.54 3lmu s GLY 93 CO 0.01 2.19 1.56 0.21 0.00 0.00 0.00 173.10 177.06 3lmu s ASN 94 N 3.76 6.62 0.00 1.64 3.84 -0.25 -4.73 114.94 125.83 3lmu s ASN 94 Ca 0.27 2.55 0.03 0.00 0.21 0.00 0.00 52.86 55.92 3lmu s ASN 94 Cb -0.13 -2.59 -0.01 0.00 -0.55 0.00 0.00 41.25 37.97 3lmu s ASN 94 CO 0.08 -0.81 0.26 0.35 -2.79 0.00 0.00 177.10 174.19 3lmu n THR 95 N 4.10 0.00 -0.17 -5.21 -2.24 -1.26 -1.72 114.28 107.78 3lmu n THR 95 Ca 0.14 -0.45 -0.01 0.00 -2.27 0.00 0.00 64.05 61.46 3lmu n THR 95 Cb 0.39 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 3lmu n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3lmu n LYS 96 N -0.70 0.34 -0.01 -0.78 4.01 -1.26 -4.70 118.16 115.06 3lmu n LYS 96 Ca 0.01 -0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 3lmu n LYS 96 Cb 0.06 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 3lmu n LYS 96 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3lmu n GLY 98 N 2.24 0.00 0.65 0.72 0.00 -1.26 -5.13 105.19 102.42 3lmu n GLY 98 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 3lmu n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lmu n ASN 99 N 0.03 2.74 -4.12 1.61 4.13 -1.26 -4.87 115.26 113.51 3lmu n ASN 99 Ca 0.00 -1.85 -0.32 0.00 1.68 0.00 0.00 54.58 54.09 3lmu n ASN 99 Cb 0.00 -0.18 -0.16 0.00 -1.54 0.00 0.00 39.78 37.90 3lmu n ASN 99 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3lmu s LYS 100 N -1.01 2.80 1.22 3.52 3.01 -1.26 -5.13 119.74 122.88 3lmu s LYS 100 Ca 0.23 -0.77 -0.19 0.00 -1.01 0.00 0.00 55.97 54.23 3lmu s LYS 100 Cb 0.13 -2.34 0.30 0.00 -1.01 0.00 0.00 37.83 34.90 3lmu s LYS 100 CO 0.17 -0.10 0.67 -2.30 0.51 0.00 0.00 175.35 174.30 3lmu n PRO 101 N 4.32 -3.58 -3.34 -1.68 -0.02 -1.26 -5.02 135.00 124.41 3lmu n PRO 101 Ca -0.20 -1.12 -0.06 0.00 -2.02 0.00 0.00 63.50 60.10 3lmu n PRO 101 Cb 0.51 -1.62 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 3lmu n PRO 101 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3lmu s ASP 102 N -2.67 -0.25 -1.04 2.55 2.15 -0.70 -4.95 116.67 111.77 3lmu s ASP 102 Ca 0.52 0.51 -0.02 0.00 0.43 0.00 0.00 52.55 53.98 3lmu s ASP 102 Cb -0.09 1.43 0.31 0.00 -0.30 0.00 0.00 42.92 44.27 3lmu s ASP 102 CO 0.43 -0.28 1.64 0.49 -0.17 0.00 0.00 175.17 177.28 3lmu n PHE 103 N 5.39 2.56 0.15 -5.34 3.72 -1.26 -1.09 117.46 121.58 3lmu n PHE 103 Ca -0.04 -2.62 0.10 0.00 -0.05 0.00 0.00 57.45 54.84 3lmu n PHE 103 Cb 0.50 -1.20 0.06 0.00 -0.94 0.00 0.00 39.48 37.91 3lmu n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3lmu h HIS 104 N 4.73 0.00 -0.01 1.38 3.86 -1.98 -3.31 115.15 119.82 3lmu h HIS 104 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 3lmu h HIS 104 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 3lmu h HIS 104 CO 1.17 0.10 -0.56 1.28 0.86 0.00 0.00 177.93 180.78 3lmu n LEU 105 N -2.91 1.47 -4.68 2.43 4.32 -1.26 -4.97 117.00 111.39 3lmu n LEU 105 Ca 0.01 -0.67 -0.42 0.00 -0.02 0.00 0.00 56.01 54.91 3lmu n LEU 105 Cb 0.58 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.36 3lmu n LEU 105 CO 0.38 0.30 1.15 0.00 -1.22 0.00 0.00 177.39 178.00 3lmu s ALA 106 N -2.35 3.60 0.46 -1.18 0.00 -1.25 -1.58 121.76 119.47 3lmu s ALA 106 Ca 0.12 0.88 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 3lmu s ALA 106 Cb 0.15 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3lmu s ALA 106 CO 0.57 -0.99 1.20 1.17 0.00 0.00 0.00 175.76 177.72 3lmu n LYS 107 N 5.62 1.68 -1.88 0.00 4.81 -0.73 -4.68 118.16 122.98 3lmu n LYS 107 Ca 0.14 0.60 -0.42 0.00 -0.87 0.00 0.00 58.31 57.77 3lmu n LYS 107 Cb 0.43 -2.33 -0.02 0.00 0.02 0.00 0.00 35.03 33.13 3lmu n LYS 107 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3lmu s GLU 108 N -2.34 4.19 0.34 1.64 -6.30 -1.26 -4.64 118.70 110.34 3lmu s GLU 108 Ca 0.65 2.45 0.13 0.00 -2.50 0.00 0.00 54.97 55.69 3lmu s GLU 108 Cb -0.49 -3.08 1.09 0.00 0.00 0.00 0.00 34.13 31.65 3lmu s GLU 108 CO 0.55 -0.57 1.58 -1.35 0.02 0.00 0.00 175.26 175.49 3lmu h PRO 109 N 5.45 0.01 -0.01 4.30 0.11 -1.97 0.28 132.00 140.16 3lmu h PRO 109 Ca -0.45 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 3lmu h PRO 109 Cb 1.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3lmu h PRO 109 CO 0.83 0.01 -0.87 -0.91 -0.21 0.00 0.00 178.00 176.84 3lmu h ASN 110 N 0.01 0.41 0.15 -2.05 2.35 -2.01 -1.80 115.58 112.65 3lmu h ASN 110 Ca 0.74 -0.32 -0.24 0.00 -0.55 0.00 0.00 56.30 55.93 3lmu h ASN 110 Cb 1.81 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 40.07 3lmu h ASN 110 CO -0.83 1.10 -1.14 1.05 -1.65 0.00 0.00 177.43 175.96 3lmu h GLU 111 N 0.19 0.31 -0.50 0.81 9.09 -1.69 -3.36 114.58 119.43 3lmu h GLU 111 Ca -0.06 -0.54 0.10 0.00 0.05 0.00 0.00 59.36 58.92 3lmu h GLU 111 Cb 1.49 0.20 -0.09 0.00 -1.65 0.00 0.00 28.75 28.69 3lmu h GLU 111 CO 0.14 1.26 -0.11 0.00 0.05 0.00 0.00 179.01 180.35 3lmu h ALA 112 N 0.04 0.34 -0.79 1.06 0.00 -0.52 -1.79 119.26 117.61 3lmu h ALA 112 Ca -0.22 0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.03 3lmu h ALA 112 Cb 1.77 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 19.83 3lmu h ALA 112 CO 0.14 -0.44 0.35 1.25 0.00 0.00 0.00 179.25 180.55 3lmu h LEU 113 N 0.01 0.37 0.02 0.00 5.85 -1.48 0.31 115.31 120.39 3lmu h LEU 113 Ca 0.24 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 3lmu h LEU 113 Cb 0.37 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3lmu h LEU 113 CO -0.51 0.14 -0.01 0.40 -0.34 0.00 0.00 178.44 178.12 3lmu h ILE 114 N 0.51 1.32 -0.69 4.05 2.04 -1.50 -0.48 117.51 122.75 3lmu h ILE 114 Ca 0.44 -1.08 0.15 0.00 1.00 0.00 0.00 64.86 65.37 3lmu h ILE 114 Cb 0.65 2.03 -0.12 0.00 -0.74 0.00 0.00 36.82 38.65 3lmu h ILE 114 CO -0.39 0.27 -0.01 0.15 0.00 0.00 0.00 178.15 178.17 3lmu h PHE 115 N -0.50 -0.07 0.54 1.37 3.04 -0.94 0.96 116.94 121.34 3lmu h PHE 115 Ca -0.00 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 3lmu h PHE 115 Cb 0.47 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.12 3lmu h PHE 115 CO 0.09 -0.21 -0.28 -0.92 -2.02 0.00 0.00 178.31 174.97 3lmu h TYR 116 N 0.10 -0.72 -0.92 0.41 3.20 -0.13 -0.68 116.97 118.23 3lmu h TYR 116 Ca 0.37 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.37 3lmu h TYR 116 Cb 0.62 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 39.05 3lmu h TYR 116 CO -0.41 -0.44 0.59 -0.91 -1.64 0.00 0.00 178.16 175.35 3lmu h ASN 117 N -0.75 0.69 -0.44 -2.11 2.35 -0.55 -0.58 115.58 114.19 3lmu h ASN 117 Ca -0.07 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3lmu h ASN 117 Cb 0.59 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 3lmu h ASN 117 CO 0.11 0.34 0.26 0.11 -1.65 0.00 0.00 177.43 176.60 3lmu h LYS 118 N 0.72 0.59 0.04 0.81 6.56 -0.04 -1.32 116.57 123.93 3lmu h LYS 118 Ca 0.47 -0.05 0.02 0.00 -1.06 0.00 0.00 60.65 60.02 3lmu h LYS 118 Cb 0.74 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.25 3lmu h LYS 118 CO -0.23 0.44 -0.13 0.82 -2.06 0.00 0.00 179.45 178.28 3lmu h ILE 119 N 0.58 0.68 -1.00 1.86 2.04 0.33 -1.95 117.51 120.04 3lmu h ILE 119 Ca 0.16 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.14 3lmu h ILE 119 Cb -0.00 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 3lmu h ILE 119 CO -0.03 0.00 0.63 0.40 0.00 0.00 0.00 178.15 179.15 3lmu h ILE 120 N -0.24 0.92 0.06 -0.67 1.08 -1.02 0.85 117.51 118.49 3lmu h ILE 120 Ca 0.03 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3lmu h ILE 120 Cb 0.28 -0.16 0.00 0.00 -3.07 0.00 0.00 36.82 33.87 3lmu h ILE 120 CO -0.10 0.18 -0.03 0.44 -0.69 0.00 0.00 178.15 177.95 3lmu h ASP 121 N 0.99 -0.07 -0.37 1.72 3.32 -0.93 -2.39 116.42 118.69 3lmu h ASP 121 Ca 0.50 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.59 3lmu h ASP 121 Cb 0.50 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.00 3lmu h ASP 121 CO -0.26 -0.02 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.12 3lmu h GLU 122 N -0.12 0.06 -0.66 3.56 4.57 -0.40 -0.21 114.58 121.38 3lmu h GLU 122 Ca -0.01 -0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.30 3lmu h GLU 122 Cb 0.10 -0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 28.55 3lmu h GLU 122 CO 0.01 0.04 -0.19 0.74 -1.18 0.00 0.00 179.01 178.43 3lmu h PHE 123 N 0.06 -0.44 -0.54 0.92 0.04 -0.66 0.20 116.94 116.53 3lmu h PHE 123 Ca 0.18 0.06 -0.11 0.00 2.80 0.00 0.00 57.97 60.90 3lmu h PHE 123 Cb 0.26 0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 3lmu h PHE 123 CO -0.28 -0.30 -0.09 0.87 -0.60 0.00 0.00 178.31 177.90 3lmu h LYS 124 N -0.03 0.99 0.69 1.51 1.57 -0.71 0.94 116.57 121.54 3lmu h LYS 124 Ca 0.31 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3lmu h LYS 124 Cb 0.50 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3lmu h LYS 124 CO -0.69 1.03 -0.45 0.87 -0.57 0.00 0.00 179.45 179.63 3lmu h LYS 125 N 0.89 -1.05 -0.86 3.15 1.79 0.48 -2.62 116.57 118.36 3lmu h LYS 125 Ca 0.14 0.07 0.06 0.00 -2.18 0.00 0.00 60.65 58.74 3lmu h LYS 125 Cb 0.64 0.24 -0.05 0.00 -1.58 0.00 0.00 32.23 31.47 3lmu h LYS 125 CO 0.04 -0.70 0.56 1.96 -1.08 0.00 0.00 179.45 180.24 3lmu h GLN 126 N -1.09 0.95 0.00 3.15 4.20 -0.55 -3.42 115.11 118.35 3lmu h GLN 126 Ca -0.09 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3lmu h GLN 126 Cb 0.88 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.45 3lmu h GLN 126 CO 0.07 0.63 0.00 0.98 -0.67 0.00 0.00 178.83 179.84 3lmu n TYR 127 N -4.48 0.00 -3.78 2.96 9.36 0.31 -5.10 117.16 116.44 3lmu n TYR 127 Ca 0.13 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.22 3lmu n TYR 127 Cb 0.19 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.77 3lmu n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3lmu s ASN 128 N -0.24 -0.17 0.54 2.98 2.47 -1.00 -4.92 114.94 114.58 3lmu s ASN 128 Ca 0.00 0.36 0.32 0.00 0.42 0.00 0.00 52.86 53.96 3lmu s ASN 128 Cb 0.00 0.32 1.49 0.00 -1.45 0.00 0.00 41.25 41.61 3lmu s ASN 128 CO 0.00 -0.10 1.88 -0.78 -3.72 0.00 0.00 177.10 174.38 3lmu h ASP 129 N 6.45 0.00 0.24 -4.21 -0.00 -1.92 -1.03 116.42 115.95 3lmu h ASP 129 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.71 3lmu h ASP 129 Cb 1.18 -0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.51 3lmu h ASP 129 CO 0.40 0.00 -0.34 -0.67 -0.00 0.00 0.00 179.24 178.63 3lmu n ASP 130 N -4.26 1.06 -0.00 2.28 2.03 -1.26 -4.10 116.55 112.30 3lmu n ASP 130 Ca 0.19 -0.87 0.08 0.00 0.52 0.00 0.00 54.79 54.72 3lmu n ASP 130 Cb 1.00 0.22 -0.12 0.00 -0.72 0.00 0.00 41.12 41.50 3lmu n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3lmu n LYS 131 N -0.73 0.91 -3.48 -0.67 4.76 -0.40 -4.91 118.16 113.64 3lmu n LYS 131 Ca 0.11 -0.09 -0.37 0.00 -2.87 0.00 0.00 58.31 55.09 3lmu n LYS 131 Cb 0.36 -1.37 -0.08 0.00 -1.84 0.00 0.00 35.03 32.11 3lmu n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3lmu s ILE 132 N -2.94 5.26 0.17 -0.18 -1.09 -1.21 -1.77 121.20 119.44 3lmu s ILE 132 Ca -0.01 0.57 0.09 0.00 -2.23 0.00 0.00 60.65 59.07 3lmu s ILE 132 Cb 0.12 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 3lmu s ILE 132 CO 0.72 0.32 -0.19 -0.54 -1.23 0.00 0.00 174.94 174.02 3lmu s LYS 133 N 0.96 1.29 0.26 2.79 -0.14 -0.68 -5.00 119.74 119.22 3lmu s LYS 133 Ca 0.16 -1.41 0.05 0.00 -1.36 0.00 0.00 55.97 53.42 3lmu s LYS 133 Cb -0.14 -1.38 -0.02 0.00 -1.68 0.00 0.00 37.83 34.61 3lmu s LYS 133 CO 0.06 0.28 0.19 0.44 -0.76 0.00 0.00 175.35 175.57 3lmu n ILE 134 N 0.32 0.00 -3.22 2.17 -5.35 -1.26 -0.81 119.36 111.21 3lmu n ILE 134 Ca -0.13 -1.84 0.00 0.00 -0.27 0.00 0.00 62.75 60.50 3lmu n ILE 134 Cb 0.57 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 3lmu n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3lmu n GLY 135 N -0.40 2.79 3.38 3.28 0.00 -1.22 -4.73 105.19 108.29 3lmu n GLY 135 Ca 0.04 -2.14 -0.44 0.00 0.00 0.00 0.00 46.02 43.47 3lmu n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3lmu s LYS 136 N -1.56 2.95 0.17 1.61 2.20 -1.26 -5.04 119.74 118.81 3lmu s LYS 136 Ca 0.00 -1.36 -0.33 0.00 -0.36 0.00 0.00 55.97 53.93 3lmu s LYS 136 Cb 0.00 -4.11 -0.16 0.00 -1.51 0.00 0.00 37.83 32.05 3lmu s LYS 136 CO 0.00 -1.02 1.07 0.34 -0.36 0.00 0.00 175.35 175.38 3lmu n PHE 137 N 5.18 1.02 -0.31 4.03 7.35 -1.26 -1.77 117.46 131.71 3lmu n PHE 137 Ca -0.12 0.75 0.00 0.00 -0.76 0.00 0.00 57.45 57.32 3lmu n PHE 137 Cb 0.44 -2.22 0.00 0.00 0.35 0.00 0.00 39.48 38.05 3lmu n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3lmu n GLY 138 N 1.89 0.75 3.90 7.13 0.00 -1.26 -4.96 105.19 112.63 3lmu n GLY 138 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3lmu n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3lmu s ASN 139 N -2.55 6.46 -0.05 1.61 -0.87 -0.73 -5.03 114.94 113.78 3lmu s ASN 139 Ca 0.00 0.86 -0.30 0.00 -1.57 0.00 0.00 52.86 51.85 3lmu s ASN 139 Cb 0.00 -2.21 -0.04 0.00 -0.02 0.00 0.00 41.25 38.98 3lmu s ASN 139 CO 0.00 -0.28 1.32 -0.47 -2.57 0.00 0.00 177.10 175.10 3lmu s TYR 140 N -2.21 2.92 0.33 2.20 5.04 -1.26 -4.91 117.35 119.46 3lmu s TYR 140 Ca 0.47 0.95 0.09 0.00 -2.44 0.00 0.00 57.07 56.14 3lmu s TYR 140 Cb -0.10 -3.57 -0.05 0.00 0.35 0.00 0.00 41.96 38.59 3lmu s TYR 140 CO 0.31 -2.01 0.04 -1.64 -1.34 0.00 0.00 175.55 170.91 3lmu s MET 141 N 2.60 2.16 -0.19 4.97 -1.94 -1.26 -4.62 119.30 121.01 3lmu s MET 141 Ca 0.60 -1.68 -0.03 0.00 -1.71 0.00 0.00 55.69 52.87 3lmu s MET 141 Cb -0.28 -2.00 0.06 0.00 2.01 0.00 0.00 34.83 34.62 3lmu s MET 141 CO 0.23 0.15 0.04 1.21 -0.01 0.00 0.00 175.02 176.64 3lmu s ASN 142 N -3.74 2.88 -0.17 3.03 2.47 -0.38 -4.97 114.94 114.06 3lmu s ASN 142 Ca 0.35 -0.81 -0.02 0.00 0.42 0.00 0.00 52.86 52.80 3lmu s ASN 142 Cb -0.01 -0.58 -0.01 0.00 -1.45 0.00 0.00 41.25 39.20 3lmu s ASN 142 CO 0.20 -0.31 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.56 3lmu s ILE 143 N 1.87 3.30 -0.54 -5.21 1.01 -1.26 -1.23 121.20 119.14 3lmu s ILE 143 Ca -0.01 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 3lmu s ILE 143 Cb -0.17 -2.45 0.13 0.00 0.01 0.00 0.00 42.46 39.98 3lmu s ILE 143 CO -0.08 0.48 0.48 -1.81 0.00 0.00 0.00 174.94 174.01 3lmu s ASP 144 N 0.85 6.11 -0.12 3.58 1.01 -1.08 -4.93 116.67 122.08 3lmu s ASP 144 Ca -0.02 -1.87 -0.06 0.00 0.71 0.00 0.00 52.55 51.31 3lmu s ASP 144 Cb -0.15 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 3lmu s ASP 144 CO 0.01 -0.81 0.10 -0.69 0.21 0.00 0.00 175.17 173.99 3lmu s VAL 145 N 1.46 5.12 -0.57 -1.27 1.01 -1.26 -1.94 120.40 122.96 3lmu s VAL 145 Ca 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 3lmu s VAL 145 Cb -0.28 -3.23 0.15 0.00 0.00 0.00 0.00 36.38 33.02 3lmu s VAL 145 CO 0.02 0.59 0.39 -0.89 0.00 0.00 0.00 175.10 175.20 3lmu s THR 146 N -0.74 3.78 0.14 3.92 2.01 -0.39 -5.01 115.64 119.35 3lmu s THR 146 Ca 0.13 -2.58 -0.31 0.00 0.31 0.00 0.00 61.69 59.24 3lmu s THR 146 Cb -0.12 -3.49 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 3lmu s THR 146 CO 0.03 -0.83 1.39 0.20 -0.69 0.00 0.00 174.62 174.71 3lmu s ASN 147 N 1.27 6.82 -0.87 3.53 0.01 -1.26 -0.33 114.94 124.11 3lmu s ASN 147 Ca 0.14 2.38 -0.05 0.00 -0.71 0.00 0.00 52.86 54.61 3lmu s ASN 147 Cb -0.21 -2.59 0.22 0.00 0.41 0.00 0.00 41.25 39.08 3lmu s ASN 147 CO -0.04 -0.64 0.77 -0.62 -1.51 0.00 0.00 177.10 175.06 3lmu s ASP 148 N 0.90 6.19 0.00 -1.22 2.15 -0.09 -4.74 116.67 119.86 3lmu s ASP 148 Ca 0.63 -3.37 0.00 0.00 0.43 0.00 0.00 52.55 50.24 3lmu s ASP 148 Cb -0.37 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 3lmu s ASP 148 CO 0.33 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 3lmu n GLY 149 N 2.88 -0.52 3.89 2.66 0.00 -1.26 -3.95 105.19 108.89 3lmu n GLY 149 Ca 0.18 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 3lmu n GLY 149 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3lmu s PRO 150 N 0.00 2.60 -0.19 1.61 0.02 -1.26 -5.16 135.00 132.61 3lmu s PRO 150 Ca 0.00 0.27 -0.01 0.00 0.02 0.00 0.00 61.00 61.29 3lmu s PRO 150 Cb 0.00 -2.04 0.05 0.00 0.02 0.00 0.00 34.50 32.53 3lmu s PRO 150 CO 0.00 -1.15 -0.03 0.08 -0.33 0.00 0.00 177.00 175.57 3lmu s VAL 151 N -3.37 1.06 -0.14 3.83 1.01 -1.25 -5.04 120.40 116.50 3lmu s VAL 151 Ca 0.59 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3lmu s VAL 151 Cb -0.11 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 3lmu s VAL 151 CO 0.50 -0.03 -0.17 -0.89 0.00 0.00 0.00 175.10 174.51 3lmu s THR 152 N 1.63 2.54 -0.09 3.92 2.01 -1.26 -2.04 115.64 122.35 3lmu s THR 152 Ca -0.02 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.20 3lmu s THR 152 Cb -0.17 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.29 3lmu s THR 152 CO -0.07 0.53 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.53 3lmu s ILE 153 N 0.72 1.95 -0.07 1.82 -1.09 0.01 -4.94 121.20 119.59 3lmu s ILE 153 Ca -0.07 -0.97 0.04 0.00 -2.23 0.00 0.00 60.65 57.42 3lmu s ILE 153 Cb -0.16 -1.68 -0.02 0.00 -1.58 0.00 0.00 42.46 39.03 3lmu s ILE 153 CO 0.01 0.54 -0.18 -0.47 -1.23 0.00 0.00 174.94 173.61 3lmu s TYR 154 N 0.26 2.63 -0.04 3.97 5.04 -1.26 0.03 117.35 127.98 3lmu s TYR 154 Ca -0.15 -0.48 0.00 0.00 -2.44 0.00 0.00 57.07 54.00 3lmu s TYR 154 Cb -0.17 -1.67 0.02 0.00 0.35 0.00 0.00 41.96 40.50 3lmu s TYR 154 CO 0.07 -0.06 -0.02 0.42 -1.34 0.00 0.00 175.55 174.63 3lmu s ILE 155 N -0.26 0.36 -0.62 3.14 1.01 -0.61 -5.00 121.20 119.22 3lmu s ILE 155 Ca 0.01 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.69 3lmu s ILE 155 Cb -0.13 -0.44 0.15 0.00 0.01 0.00 0.00 42.46 42.05 3lmu s ILE 155 CO 0.03 0.20 0.40 -0.62 0.00 0.00 0.00 174.94 174.95 3lmu s ASP 156 N 1.16 4.74 0.17 3.58 2.15 -1.26 -1.31 116.67 125.89 3lmu s ASP 156 Ca -0.08 -3.31 0.12 0.00 0.43 0.00 0.00 52.55 49.71 3lmu s ASP 156 Cb -0.14 -1.69 0.57 0.00 -0.30 0.00 0.00 42.92 41.36 3lmu s ASP 156 CO -0.02 -0.20 0.60 0.35 -0.17 0.00 0.00 175.17 175.74 3lmu n THR 157 N 2.74 -0.11 -0.17 1.71 -2.24 -0.61 -2.49 114.28 113.12 3lmu n THR 157 Ca 0.11 0.71 -0.01 0.00 -2.27 0.00 0.00 64.05 62.59 3lmu n THR 157 Cb 0.34 -1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 67.39 3lmu n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3lmu n HIS 158 N -3.49 0.00 -1.14 4.78 8.25 -1.26 -4.95 115.22 117.40 3lmu n HIS 158 Ca 0.15 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3lmu n HIS 158 Cb 0.59 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3lmu n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73