#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 0.38 -0.01 2.12 0.52 -0.01 -1.30 118.95 120.66 3lmu s ARG 2 Ca 0.00 -0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.17 3lmu s ARG 2 Cb 0.00 -0.44 -0.00 0.00 0.52 0.00 0.00 34.95 35.03 3lmu s ARG 2 CO 0.00 -0.01 -0.08 0.54 0.02 0.00 0.00 175.30 175.77 3lmu s VAL 3 N 0.42 0.64 -0.22 3.52 0.11 -0.26 0.37 120.40 124.97 3lmu s VAL 3 Ca -0.04 -0.31 -0.05 0.00 -2.93 0.00 0.00 61.98 58.64 3lmu s VAL 3 Cb -0.07 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 3lmu s VAL 3 CO -0.01 0.19 0.01 -0.69 -3.33 0.00 0.00 175.10 171.28 3lmu s VAL 4 N 0.03 3.97 -0.15 2.04 1.01 -0.77 -1.35 120.40 125.17 3lmu s VAL 4 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 3lmu s VAL 4 Cb -0.06 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3lmu s VAL 4 CO -0.00 0.40 -0.03 -0.63 0.00 0.00 0.00 175.10 174.84 3lmu s ILE 5 N 1.22 3.92 -0.13 2.22 1.01 0.17 -1.24 121.20 128.38 3lmu s ILE 5 Ca 0.03 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3lmu s ILE 5 Cb -0.15 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.63 3lmu s ILE 5 CO 0.01 0.50 -0.17 -1.10 0.00 0.00 0.00 174.94 174.19 3lmu s GLN 6 N 0.27 2.45 0.05 2.79 -1.52 -0.39 -0.88 119.66 122.43 3lmu s GLN 6 Ca -0.03 -0.64 -0.31 0.00 -1.95 0.00 0.00 55.36 52.44 3lmu s GLN 6 Cb -0.14 -2.09 -0.05 0.00 -0.22 0.00 0.00 33.01 30.51 3lmu s GLN 6 CO 0.03 -0.10 1.17 0.50 -0.25 0.00 0.00 175.29 176.64 3lmu s ARG 7 N 1.07 4.45 0.06 2.91 3.52 -0.86 -0.87 118.95 129.23 3lmu s ARG 7 Ca -0.04 1.73 0.02 0.00 -0.13 0.00 0.00 55.73 57.31 3lmu s ARG 7 Cb -0.14 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 3lmu s ARG 7 CO -0.04 -0.23 -0.08 0.14 -0.81 0.00 0.00 175.30 174.28 3lmu s VAL 8 N 1.07 0.61 -0.24 7.11 -7.23 0.20 -0.47 120.40 121.45 3lmu s VAL 8 Ca 0.58 -1.39 0.18 0.00 -1.81 0.00 0.00 61.98 59.54 3lmu s VAL 8 Cb -0.28 -1.00 0.11 0.00 0.56 0.00 0.00 36.38 35.77 3lmu s VAL 8 CO 0.29 -0.55 1.38 0.11 -0.31 0.00 0.00 175.10 176.02 3lmu h LYS 9 N 3.95 0.00 0.00 4.82 1.79 -1.11 -1.63 116.57 124.39 3lmu h LYS 9 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 3lmu h LYS 9 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3lmu h LYS 9 CO 0.49 0.29 0.00 0.41 -1.08 0.00 0.00 179.45 179.56 3lmu n GLY 10 N 1.21 0.72 3.56 3.86 0.00 -1.18 -1.17 105.19 112.19 3lmu n GLY 10 Ca 0.01 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 3lmu n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lmu s ALA 11 N -2.00 -1.62 -0.08 4.61 0.00 0.17 -1.37 121.76 121.47 3lmu s ALA 11 Ca 0.00 1.90 0.01 0.00 0.00 0.00 0.00 51.96 53.87 3lmu s ALA 11 Cb 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 22.03 3lmu s ALA 11 CO 0.00 -0.32 -0.10 0.42 0.00 0.00 0.00 175.76 175.77 3lmu s ILE 12 N 0.55 1.05 -0.16 0.00 1.01 -0.49 -0.66 121.20 122.51 3lmu s ILE 12 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 3lmu s ILE 12 Cb -0.05 -1.01 -0.00 0.00 0.01 0.00 0.00 42.46 41.41 3lmu s ILE 12 CO -0.02 0.35 -0.13 -0.22 0.00 0.00 0.00 174.94 174.91 3lmu s LEU 13 N 1.07 2.57 0.43 2.97 0.20 0.12 -0.67 118.68 125.37 3lmu s LEU 13 Ca -0.07 -0.44 0.05 0.00 0.69 0.00 0.00 54.13 54.36 3lmu s LEU 13 Cb -0.14 -1.60 -0.06 0.00 -0.43 0.00 0.00 46.19 43.96 3lmu s LEU 13 CO -0.01 0.08 0.02 -0.44 -0.29 0.00 0.00 176.35 175.71 3lmu s SER 14 N 0.87 3.73 0.00 3.68 0.01 -0.43 -0.63 113.70 120.94 3lmu s SER 14 Ca -0.04 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 55.76 3lmu s SER 14 Cb -0.15 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.01 3lmu s SER 14 CO -0.00 -0.60 0.00 1.33 0.41 0.00 0.00 173.24 174.37 3lmu n VAL 15 N -1.02 0.00 -2.07 3.43 0.24 -1.26 -2.75 118.33 114.90 3lmu n VAL 15 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3lmu n VAL 15 Cb 0.67 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 3lmu n VAL 15 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3lmu n GLU 28 N 0.00 -4.88 -0.81 7.34 0.28 -1.26 -5.04 120.64 116.27 3lmu n GLU 28 Ca 0.00 3.55 -0.33 0.00 -0.16 0.00 0.00 57.16 60.22 3lmu n GLU 28 Cb 0.00 -4.09 0.12 0.00 1.43 0.00 0.00 31.44 28.90 3lmu n GLU 28 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3lmu n ILE 29 N 1.69 0.11 -0.74 3.84 5.41 -1.26 -4.94 119.36 123.46 3lmu n ILE 29 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.56 3lmu n ILE 29 Cb 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.27 3lmu n ILE 29 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3lmu n ILE 30 N -3.59 0.00 -3.64 1.39 -5.35 0.20 -4.89 119.36 103.47 3lmu n ILE 30 Ca 0.07 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.52 3lmu n ILE 30 Cb 0.53 0.57 -0.07 0.00 -1.74 0.00 0.00 39.64 38.94 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 0.00 -0.55 -0.12 7.28 0.15 -1.19 -4.99 113.70 114.27 3lmu s SER 31 Ca 0.00 0.90 -0.14 0.00 0.70 0.00 0.00 55.95 57.41 3lmu s SER 31 Cb 0.00 1.19 0.04 0.00 -1.71 0.00 0.00 66.02 65.54 3lmu s SER 31 CO 0.00 -0.14 0.39 -0.70 1.20 0.00 0.00 173.24 173.98 3lmu s GLU 32 N 1.26 0.52 0.05 5.44 2.12 -1.26 0.13 118.70 126.96 3lmu s GLU 32 Ca -0.08 0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.66 3lmu s GLU 32 Cb -0.04 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 3lmu s GLU 32 CO -0.15 -0.09 -0.05 0.96 -0.54 0.00 0.00 175.26 175.40 3lmu s ILE 33 N -0.12 0.38 0.00 -3.70 -4.36 0.17 -4.99 121.20 108.58 3lmu s ILE 33 Ca -0.03 -1.38 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 3lmu s ILE 33 Cb -0.03 -0.94 0.00 0.00 1.25 0.00 0.00 42.46 42.73 3lmu s ILE 33 CO 0.02 -0.66 0.00 2.29 0.24 0.00 0.00 174.94 176.83 3lmu n LYS 34 N 0.88 2.23 -1.67 0.37 -0.00 -1.26 -0.65 118.16 118.05 3lmu n LYS 34 Ca -0.19 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.74 3lmu n LYS 34 Cb 0.57 0.00 0.05 0.00 -0.00 0.00 0.00 35.03 35.66 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 1.55 0.00 -5.58 4.13 -0.32 -3.10 115.26 111.94 3lmu n ASN 35 Ca 0.00 0.87 0.00 0.00 1.68 0.00 0.00 54.58 57.13 3lmu n ASN 35 Cb 0.00 -1.47 0.00 0.00 -1.54 0.00 0.00 39.78 36.77 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 1.07 0.23 3.55 7.41 0.00 -0.61 -2.27 105.19 114.58 3lmu n GLY 36 Ca 0.13 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 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 2.92 -0.16 0.99 1.43 -0.55 -0.63 118.68 122.69 3lmu s LEU 37 Ca 0.00 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3lmu s LEU 37 Cb 0.00 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3lmu s LEU 37 CO 0.00 0.15 -0.13 -0.51 0.23 0.00 0.00 176.35 176.09 3lmu s ILE 38 N -1.38 2.94 -0.27 -0.59 2.07 -0.05 -1.12 121.20 122.79 3lmu s ILE 38 Ca 0.22 -0.68 -0.01 0.00 -1.41 0.00 0.00 60.65 58.77 3lmu s ILE 38 Cb -0.10 -2.26 0.04 0.00 0.13 0.00 0.00 42.46 40.27 3lmu s ILE 38 CO 0.13 0.50 -0.05 0.00 -1.91 0.00 0.00 174.94 173.62 3lmu s PHE 40 N 1.27 2.96 -0.24 0.00 0.08 -0.37 -1.24 117.98 120.43 3lmu s PHE 40 Ca -0.03 0.45 -0.08 0.00 0.12 0.00 0.00 56.93 57.39 3lmu s PHE 40 Cb -0.18 -3.89 -0.04 0.00 -0.57 0.00 0.00 43.02 38.34 3lmu s PHE 40 CO -0.03 -1.04 0.10 -1.17 -0.10 0.00 0.00 175.22 172.98 3lmu s LEU 41 N 3.67 3.71 -0.33 -0.37 2.96 0.50 -1.85 118.68 126.97 3lmu s LEU 41 Ca 0.37 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.17 3lmu s LEU 41 Cb -0.11 -1.99 0.05 0.00 0.50 0.00 0.00 46.19 44.64 3lmu s LEU 41 CO 0.25 0.02 0.07 -0.83 -1.32 0.00 0.00 176.35 174.54 3lmu s GLY 42 N 1.29 1.82 -0.26 7.98 0.00 0.16 0.71 107.32 119.01 3lmu s GLY 42 Ca 0.06 -1.81 -0.24 0.00 0.00 0.00 0.00 44.72 42.73 3lmu s GLY 42 CO 0.05 0.76 0.78 -0.42 0.00 0.00 0.00 173.10 174.27 3lmu s ILE 43 N 1.32 4.85 0.29 0.90 -1.09 -1.26 -0.83 121.20 125.38 3lmu s ILE 43 Ca -0.02 1.39 -0.20 0.00 -2.23 0.00 0.00 60.65 59.59 3lmu s ILE 43 Cb -0.20 -4.09 -0.09 0.00 -1.58 0.00 0.00 42.46 36.50 3lmu s ILE 43 CO 0.01 -0.10 0.79 -2.28 -1.23 0.00 0.00 174.94 172.12 3lmu s HIS 44 N 2.82 3.55 0.21 3.97 2.46 -1.26 -2.85 115.29 124.18 3lmu s HIS 44 Ca 0.33 1.44 -0.10 0.00 0.47 0.00 0.00 55.06 57.19 3lmu s HIS 44 Cb -0.15 -2.67 0.26 0.00 -0.13 0.00 0.00 32.58 29.89 3lmu s HIS 44 CO 0.09 0.21 1.75 1.57 -2.47 0.00 0.00 174.74 175.89 3lmu h LYS 45 N 2.92 0.42 -0.97 2.88 2.10 -1.62 -0.85 116.57 121.45 3lmu h LYS 45 Ca -0.48 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.02 3lmu h LYS 45 Cb 1.19 -0.09 -0.07 0.00 -0.90 0.00 0.00 32.23 32.35 3lmu h LYS 45 CO 0.65 0.28 0.15 0.09 -2.00 0.00 0.00 179.45 178.62 3lmu n ASN 46 N -4.97 3.05 -4.73 7.07 3.02 -1.26 -4.88 115.26 112.56 3lmu n ASN 46 Ca 0.08 -2.45 -0.41 0.00 -0.03 0.00 0.00 54.58 51.77 3lmu n ASN 46 Cb 0.25 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.79 3lmu n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3lmu s ASP 47 N 0.17 7.27 0.36 6.41 1.01 -0.32 -5.01 116.67 126.56 3lmu s ASP 47 Ca 0.17 2.04 0.07 0.00 0.71 0.00 0.00 52.55 55.55 3lmu s ASP 47 Cb 0.14 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 3lmu s ASP 47 CO 0.04 -0.23 0.46 0.42 0.21 0.00 0.00 175.17 176.06 3lmu s THR 48 N -0.05 3.62 -0.25 -1.27 -4.23 -1.26 -5.01 115.64 107.20 3lmu s THR 48 Ca 0.50 -1.09 0.28 0.00 -1.18 0.00 0.00 61.69 60.20 3lmu s THR 48 Cb -0.29 -3.24 0.32 0.00 1.34 0.00 0.00 72.50 70.63 3lmu s THR 48 CO 0.34 -0.11 1.83 -0.25 -0.54 0.00 0.00 174.62 175.88 3lmu h TRP 49 N 0.90 0.00 -0.29 3.99 2.91 -2.00 -1.95 115.95 119.51 3lmu h TRP 49 Ca -0.44 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.45 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 0.44 0.00 -0.36 0.93 -1.03 0.00 0.00 178.44 178.42 3lmu h GLU 50 N 0.00 0.67 -0.16 2.65 4.39 -1.99 -1.53 114.58 118.61 3lmu h GLU 50 Ca 0.00 -0.33 0.03 0.00 0.34 0.00 0.00 59.36 59.40 3lmu h GLU 50 Cb 0.48 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 3lmu h GLU 50 CO 0.00 0.93 -0.03 -0.44 -1.16 0.00 0.00 179.01 178.31 3lmu h ASP 51 N 0.56 -0.13 -0.18 1.42 3.32 -1.75 -2.03 116.42 117.64 3lmu h ASP 51 Ca 0.05 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.18 3lmu h ASP 51 Cb 0.88 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 3lmu h ASP 51 CO 0.08 -0.04 -0.04 0.00 -1.72 0.00 0.00 179.24 177.52 3lmu h ALA 52 N 1.15 0.12 -0.54 3.45 0.00 -1.40 -2.49 119.26 119.56 3lmu h ALA 52 Ca 0.08 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3lmu h ALA 52 Cb 0.11 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 3lmu h ALA 52 CO -0.16 -0.47 0.07 -0.07 0.00 0.00 0.00 179.25 178.62 3lmu h LEU 53 N 0.01 -0.08 -0.15 0.00 3.38 -1.08 -0.65 115.31 116.73 3lmu h LEU 53 Ca 0.09 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3lmu h LEU 53 Cb 0.13 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3lmu h LEU 53 CO -0.18 -0.02 -0.06 0.22 0.09 0.00 0.00 178.44 178.49 3lmu h TYR 54 N 0.20 -0.14 0.37 1.13 3.20 -0.93 0.34 116.97 121.14 3lmu h TYR 54 Ca 0.28 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3lmu h TYR 54 Cb 0.40 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3lmu h TYR 54 CO -0.27 -0.10 -0.38 0.82 -1.64 0.00 0.00 178.16 176.59 3lmu h ILE 55 N -0.04 0.00 -1.19 1.81 1.08 -1.11 0.21 117.51 118.28 3lmu h ILE 55 Ca 0.08 0.00 0.34 0.00 -0.39 0.00 0.00 64.86 64.89 3lmu h ILE 55 Cb 0.16 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.83 3lmu h ILE 55 CO -0.18 0.00 0.81 0.40 -0.69 0.00 0.00 178.15 178.49 3lmu h ILE 56 N -0.76 0.39 0.40 -0.67 2.04 -0.76 0.64 117.51 118.80 3lmu h ILE 56 Ca -0.05 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3lmu h ILE 56 Cb 0.66 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3lmu h ILE 56 CO -0.05 0.03 -0.19 0.03 0.00 0.00 0.00 178.15 177.96 3lmu h ARG 57 N 0.16 -0.52 -0.23 2.37 3.08 0.42 -2.54 114.38 117.12 3lmu h ARG 57 Ca 0.63 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.78 3lmu h ARG 57 Cb 2.09 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 32.25 3lmu h ARG 57 CO -0.17 -0.35 0.18 0.87 -1.07 0.00 0.00 179.97 179.44 3lmu h LYS 58 N -0.69 0.00 0.18 0.04 1.79 0.20 0.15 116.57 118.25 3lmu h LYS 58 Ca -0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3lmu h LYS 58 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3lmu h LYS 58 CO 0.09 0.00 -0.09 0.00 -1.08 0.00 0.00 179.45 178.37 3lmu n LEU 60 N -3.04 0.39 0.00 0.00 4.77 -0.78 -3.27 117.00 115.08 3lmu n LEU 60 Ca -0.03 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3lmu n LEU 60 Cb 0.10 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3lmu n LEU 60 CO 0.07 -0.64 0.28 0.59 -1.33 0.00 0.00 177.39 176.37 3lmu n ASN 61 N -1.98 0.91 -4.68 -1.43 3.02 0.47 -4.02 115.26 107.54 3lmu n ASN 61 Ca 0.01 -1.32 -0.41 0.00 -0.03 0.00 0.00 54.58 52.82 3lmu n ASN 61 Cb 0.10 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 3lmu n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3lmu s LEU 62 N -0.32 4.22 -0.57 3.41 1.43 -0.87 -4.86 118.68 121.11 3lmu s LEU 62 Ca 0.00 1.27 -0.27 0.00 -1.03 0.00 0.00 54.13 54.10 3lmu s LEU 62 Cb 0.00 -3.29 0.03 0.00 0.03 0.00 0.00 46.19 42.97 3lmu s LEU 62 CO 0.00 -0.35 1.11 0.00 0.23 0.00 0.00 176.35 177.34 3lmu s ARG 63 N 1.83 3.45 0.00 1.70 1.04 -1.26 -4.25 118.95 121.45 3lmu s ARG 63 Ca 0.41 0.07 0.00 0.00 -1.04 0.00 0.00 55.73 55.17 3lmu s ARG 63 Cb -0.17 -4.03 0.00 0.00 -2.04 0.00 0.00 34.95 28.71 3lmu s ARG 63 CO 0.15 -1.62 0.20 1.28 -0.04 0.00 0.00 175.30 175.27 3lmu n LEU 64 N 8.13 0.40 -4.89 -1.89 4.77 -1.22 -4.30 117.00 117.99 3lmu n LEU 64 Ca 0.06 -0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 55.21 3lmu n LEU 64 Cb 0.48 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3lmu n LEU 64 CO 0.69 0.10 0.04 0.26 -1.33 0.00 0.00 177.39 177.15 3lmu s TRP 65 N -0.38 1.94 0.48 -1.77 0.51 -1.09 -4.86 118.94 113.77 3lmu s TRP 65 Ca 0.00 -0.74 0.07 0.00 -2.12 0.00 0.00 56.10 53.31 3lmu s TRP 65 Cb 0.00 -1.99 0.00 0.00 -0.81 0.00 0.00 33.47 30.67 3lmu s TRP 65 CO 0.00 -0.38 0.36 -0.80 -0.51 0.00 0.00 176.95 175.62 3lmu s ASN 66 N -4.24 4.75 0.00 2.95 -0.87 -1.26 -0.83 114.94 115.44 3lmu s ASN 66 Ca 0.39 -1.03 0.00 0.00 -1.57 0.00 0.00 52.86 50.65 3lmu s ASN 66 Cb -0.02 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.11 3lmu s ASN 66 CO 0.24 -0.85 0.00 0.29 -2.57 0.00 0.00 177.10 174.21 3lmu n LYS 70 N -1.60 0.00 -3.99 -0.60 5.02 -1.26 -4.75 118.16 110.98 3lmu n LYS 70 Ca 0.01 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.04 3lmu n LYS 70 Cb 0.63 -0.27 -0.04 0.00 -0.02 0.00 0.00 35.03 35.34 3lmu n LYS 70 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3lmu s THR 71 N -0.42 5.05 -0.87 -0.18 -4.23 -1.26 -4.61 115.64 109.13 3lmu s THR 71 Ca 0.00 -0.83 -0.04 0.00 -1.18 0.00 0.00 61.69 59.64 3lmu s THR 71 Cb 0.00 -3.60 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 3lmu s THR 71 CO 0.00 -0.11 0.73 0.79 -0.54 0.00 0.00 174.62 175.49 3lmu n TRP 72 N -0.53 -2.57 0.00 3.99 7.02 -1.17 -5.00 117.44 119.19 3lmu n TRP 72 Ca -0.07 0.93 0.00 0.00 -1.02 0.00 0.00 57.50 57.34 3lmu n TRP 72 Cb 0.54 -3.77 0.00 0.00 -2.42 0.00 0.00 31.31 25.66 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 -2.30 0.00 -4.65 -0.99 2.03 -0.01 -4.85 116.55 105.78 3lmu n ASP 73 Ca -0.08 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.83 3lmu n ASP 73 Cb 0.57 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.70 4.18 0.76 -0.67 -0.14 -1.22 -4.70 119.74 117.26 3lmu s LYS 74 Ca 0.00 0.51 -0.11 0.00 -1.36 0.00 0.00 55.97 55.01 3lmu s LYS 74 Cb 0.00 -3.58 0.05 0.00 -1.68 0.00 0.00 37.83 32.62 3lmu s LYS 74 CO 0.00 -0.23 1.14 0.54 -0.76 0.00 0.00 175.35 176.04 3lmu s ASN 75 N 1.24 4.87 0.42 2.83 2.20 -1.26 -2.67 114.94 122.56 3lmu s ASN 75 Ca 0.26 0.88 0.11 0.00 -0.94 0.00 0.00 52.86 53.17 3lmu s ASN 75 Cb -0.16 -1.50 0.94 0.00 -2.00 0.00 0.00 41.25 38.53 3lmu s ASN 75 CO 0.10 -1.67 2.01 1.62 -2.94 0.00 0.00 177.10 176.21 3lmu h VAL 76 N -0.87 0.99 0.07 3.54 3.04 -1.77 0.18 116.25 121.42 3lmu h VAL 76 Ca -0.46 -0.17 -0.00 0.00 -1.01 0.00 0.00 66.70 65.06 3lmu h VAL 76 Cb 1.30 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3lmu h VAL 76 CO 0.65 0.09 -0.03 0.11 -1.01 0.00 0.00 177.57 177.38 3lmu h LYS 77 N 0.50 -0.09 -0.93 4.17 6.56 -1.87 -0.93 116.57 123.98 3lmu h LYS 77 Ca 0.23 0.01 0.11 0.00 -1.06 0.00 0.00 60.65 59.94 3lmu h LYS 77 Cb 0.29 0.02 -0.13 0.00 -0.57 0.00 0.00 32.23 31.84 3lmu h LYS 77 CO -0.06 -0.03 -0.50 -0.44 -2.06 0.00 0.00 179.45 176.36 3lmu h ASP 78 N -0.13 -1.81 -0.30 0.86 5.19 -1.27 -0.18 116.42 118.79 3lmu h ASP 78 Ca -0.01 0.31 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 3lmu h ASP 78 Cb 0.10 0.85 0.00 0.00 0.18 0.00 0.00 39.33 40.46 3lmu h ASP 78 CO 0.02 -0.27 0.00 0.18 -3.12 0.00 0.00 179.24 176.05 3lmu n LEU 79 N -5.36 2.53 -2.61 1.55 4.77 -1.16 -4.88 117.00 111.84 3lmu n LEU 79 Ca 0.05 -1.27 -0.21 0.00 -0.03 0.00 0.00 56.01 54.55 3lmu n LEU 79 Cb 0.33 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3lmu n LEU 79 CO -0.13 0.43 -0.18 -3.20 -1.33 0.00 0.00 177.39 172.99 3lmu n ASN 80 N 0.38 -5.77 -4.76 -1.43 4.05 -0.08 -4.97 115.26 102.68 3lmu n ASN 80 Ca 0.12 -0.09 -0.26 0.00 0.45 0.00 0.00 54.58 54.81 3lmu n ASN 80 Cb 0.50 -4.76 0.09 0.00 1.23 0.00 0.00 39.78 36.84 3lmu n ASN 80 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3lmu s TYR 81 N -3.04 2.44 0.23 1.20 2.02 -0.37 -5.04 117.35 114.79 3lmu s TYR 81 Ca 0.10 0.24 0.05 0.00 -0.37 0.00 0.00 57.07 57.09 3lmu s TYR 81 Cb -0.04 -3.27 -0.03 0.00 -0.40 0.00 0.00 41.96 38.22 3lmu s TYR 81 CO 0.12 -1.62 0.34 -1.21 -1.57 0.00 0.00 175.55 171.61 3lmu s GLU 82 N -5.29 3.41 0.05 -0.62 2.02 -0.96 -4.78 118.70 112.54 3lmu s GLU 82 Ca 0.63 -0.76 0.09 0.00 0.02 0.00 0.00 54.97 54.95 3lmu s GLU 82 Cb -0.09 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.24 3lmu s GLU 82 CO 0.45 0.44 -0.25 -0.51 0.02 0.00 0.00 175.26 175.41 3lmu s LEU 83 N -3.90 2.19 -0.20 1.80 1.02 -0.67 -1.48 118.68 117.42 3lmu s LEU 83 Ca 0.34 -0.59 -0.00 0.00 0.02 0.00 0.00 54.13 53.89 3lmu s LEU 83 Cb -0.09 -1.20 0.02 0.00 0.02 0.00 0.00 46.19 44.93 3lmu s LEU 83 CO 0.29 0.22 -0.14 -0.22 0.02 0.00 0.00 176.35 176.53 3lmu s LEU 84 N -1.33 2.54 -0.22 1.79 2.96 -0.28 -1.56 118.68 122.59 3lmu s LEU 84 Ca 0.11 -0.65 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 3lmu s LEU 84 Cb -0.10 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3lmu s LEU 84 CO 0.02 -0.03 0.07 -0.63 -1.32 0.00 0.00 176.35 174.46 3lmu s ILE 85 N 1.33 4.62 -0.11 6.68 -1.09 0.25 -0.27 121.20 132.61 3lmu s ILE 85 Ca 0.04 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.38 3lmu s ILE 85 Cb -0.14 -3.12 0.02 0.00 -1.58 0.00 0.00 42.46 37.64 3lmu s ILE 85 CO -0.09 0.39 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.22 3lmu s VAL 86 N 0.98 1.22 0.13 2.92 1.01 -0.37 -3.31 120.40 122.97 3lmu s VAL 86 Ca 0.04 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.27 3lmu s VAL 86 Cb -0.14 -1.17 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 3lmu s VAL 86 CO 0.03 0.39 1.50 -0.55 0.00 0.00 0.00 175.10 176.47 3lmu s SER 87 N 1.33 6.69 -0.31 3.32 0.15 -1.26 -0.37 113.70 123.26 3lmu s SER 87 Ca -0.01 2.47 -0.02 0.00 0.70 0.00 0.00 55.95 59.10 3lmu s SER 87 Cb -0.14 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 61.71 3lmu s SER 87 CO -0.05 -0.75 0.21 -1.58 1.20 0.00 0.00 173.24 172.27 3lmu s GLN 88 N 1.26 0.33 0.19 5.44 2.00 0.22 -4.81 119.66 124.29 3lmu s GLN 88 Ca 0.68 -0.58 0.26 0.00 -2.00 0.00 0.00 55.36 53.71 3lmu s GLN 88 Cb -0.40 -1.00 0.89 0.00 0.80 0.00 0.00 33.01 33.30 3lmu s GLN 88 CO 0.31 -1.07 1.77 1.97 -0.50 0.00 0.00 175.29 177.77 3lmu n PHE 89 N 4.97 0.76 0.35 1.67 1.16 -1.26 -3.34 117.46 121.76 3lmu n PHE 89 Ca -0.00 0.24 0.12 0.00 -1.87 0.00 0.00 57.45 55.93 3lmu n PHE 89 Cb 0.43 -0.89 0.51 0.00 -1.61 0.00 0.00 39.48 37.92 3lmu n PHE 89 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3lmu n THR 90 N -2.14 0.87 -0.30 1.97 -2.24 -1.26 -1.59 114.28 109.59 3lmu n THR 90 Ca 0.05 0.33 0.05 0.00 -2.27 0.00 0.00 64.05 62.21 3lmu n THR 90 Cb 0.37 -1.28 0.19 0.00 -2.10 0.00 0.00 70.33 67.51 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 0.67 -0.22 3.22 3.38 -1.95 0.17 115.31 120.59 3lmu h LEU 91 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3lmu h LEU 91 Cb 0.29 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3lmu h LEU 91 CO 0.00 0.36 0.00 0.49 0.09 0.00 0.00 178.44 179.38 3lmu n PHE 92 N -4.76 0.00 -1.61 1.13 3.72 -0.62 -4.81 117.46 110.51 3lmu n PHE 92 Ca 0.15 -0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 57.07 3lmu n PHE 92 Cb 0.33 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 3lmu n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3lmu n GLY 93 N 1.02 1.13 3.77 1.37 0.00 0.60 -4.49 105.19 108.59 3lmu n GLY 93 Ca 0.22 0.87 -0.39 0.00 0.00 0.00 0.00 46.02 46.72 3lmu n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3lmu s ASN 94 N 5.68 7.27 0.00 1.61 2.47 0.51 -4.74 114.94 127.74 3lmu s ASN 94 Ca 0.99 1.51 0.00 0.00 0.42 0.00 0.00 52.86 55.78 3lmu s ASN 94 Cb -0.68 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 36.66 3lmu s ASN 94 CO 0.48 0.16 0.01 0.41 -3.72 0.00 0.00 177.10 174.45 3lmu n THR 95 N 2.00 0.00 0.19 -5.21 -1.04 -1.26 -2.13 114.28 106.83 3lmu n THR 95 Ca -0.06 -0.41 0.11 0.00 -2.04 0.00 0.00 64.05 61.66 3lmu n THR 95 Cb 0.49 1.01 0.60 0.00 -1.82 0.00 0.00 70.33 70.61 3lmu n THR 95 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3lmu h LYS 96 N 0.00 0.00 0.00 -2.82 1.57 -1.93 -3.38 116.57 110.00 3lmu h LYS 96 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3lmu h LYS 96 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3lmu h LYS 96 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 3lmu n LYS 97 N -2.31 0.00 -1.18 3.15 4.76 -1.26 -5.08 118.16 116.24 3lmu n LYS 97 Ca -0.01 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.19 3lmu n LYS 97 Cb 0.11 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 33.48 3lmu n LYS 97 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3lmu n GLY 98 N 5.00 -2.01 1.21 0.72 0.00 -1.26 -4.96 105.19 103.89 3lmu n GLY 98 Ca 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 46.02 44.46 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 -4.03 3.47 -4.45 1.61 3.02 -1.26 -4.76 115.26 108.85 3lmu n ASN 99 Ca 0.12 -2.45 -0.31 0.00 -0.03 0.00 0.00 54.58 51.91 3lmu n ASN 99 Cb 0.45 -0.56 -0.13 0.00 -0.61 0.00 0.00 39.78 38.93 3lmu n ASN 99 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3lmu s LYS 100 N -1.92 2.22 0.91 3.52 3.01 -1.26 -5.15 119.74 121.08 3lmu s LYS 100 Ca 0.30 -0.88 -0.15 0.00 -1.01 0.00 0.00 55.97 54.23 3lmu s LYS 100 Cb 0.22 -2.24 0.23 0.00 -1.01 0.00 0.00 37.83 35.03 3lmu s LYS 100 CO 0.10 0.57 0.75 -2.30 0.51 0.00 0.00 175.35 174.98 3lmu n PRO 101 N 1.89 -2.83 -3.32 -1.68 -0.02 -1.26 -4.82 135.00 122.96 3lmu n PRO 101 Ca -0.16 -1.21 0.03 0.00 -2.02 0.00 0.00 63.50 60.13 3lmu n PRO 101 Cb 0.52 -1.21 -0.03 0.00 -0.02 0.00 0.00 33.50 32.77 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 -3.46 -0.82 -0.67 2.55 2.15 -0.91 -4.84 116.67 110.67 3lmu s ASP 102 Ca 0.50 0.81 0.00 0.00 0.43 0.00 0.00 52.55 54.29 3lmu s ASP 102 Cb -0.06 1.81 0.40 0.00 -0.30 0.00 0.00 42.92 44.77 3lmu s ASP 102 CO 0.39 -0.16 1.75 0.49 -0.17 0.00 0.00 175.17 177.47 3lmu n PHE 103 N 5.28 3.11 0.06 -5.34 3.72 -1.26 0.19 117.46 123.22 3lmu n PHE 103 Ca -0.07 -2.63 -0.13 0.00 -0.05 0.00 0.00 57.45 54.57 3lmu n PHE 103 Cb 0.52 -0.92 -0.08 0.00 -0.94 0.00 0.00 39.48 38.06 3lmu n PHE 103 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3lmu h HIS 104 N 2.63 -0.10 0.00 1.38 2.76 -1.98 -1.99 115.15 117.86 3lmu h HIS 104 Ca 0.50 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 3lmu h HIS 104 Cb 0.52 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.51 3lmu h HIS 104 CO 1.12 0.10 0.00 1.28 -1.30 0.00 0.00 177.93 179.13 3lmu n LEU 105 N -5.05 0.00 -4.62 0.26 4.32 -1.26 -4.72 117.00 105.93 3lmu n LEU 105 Ca -0.08 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.48 3lmu n LEU 105 Cb 0.14 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.92 3lmu n LEU 105 CO 0.33 0.00 1.25 0.00 -1.22 0.00 0.00 177.39 177.76 3lmu s ALA 106 N -2.00 3.26 -0.26 -1.18 0.00 -0.75 -1.82 121.76 119.01 3lmu s ALA 106 Ca 0.00 0.20 -0.37 0.00 0.00 0.00 0.00 51.96 51.80 3lmu s ALA 106 Cb 0.00 -3.84 -0.13 0.00 0.00 0.00 0.00 23.12 19.15 3lmu s ALA 106 CO 0.00 -1.97 1.93 1.17 0.00 0.00 0.00 175.76 176.89 3lmu n LYS 107 N 7.61 1.38 -1.12 0.00 4.81 -1.13 -4.63 118.16 125.07 3lmu n LYS 107 Ca 0.17 0.47 -0.42 0.00 -0.87 0.00 0.00 58.31 57.66 3lmu n LYS 107 Cb 0.46 -2.35 -0.05 0.00 0.02 0.00 0.00 35.03 33.11 3lmu n LYS 107 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3lmu n GLU 108 N 6.66 0.00 -0.16 1.64 0.00 -1.26 -4.47 120.64 123.05 3lmu n GLU 108 Ca 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.40 3lmu n GLU 108 Cb 0.20 -1.02 -0.05 0.00 0.00 0.00 0.00 31.44 30.57 3lmu n GLU 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3lmu h PRO 109 N 1.78 -0.09 -0.78 5.31 0.11 -1.98 -0.37 132.00 135.99 3lmu h PRO 109 Ca -0.33 0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.95 3lmu h PRO 109 Cb 1.10 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.08 3lmu h PRO 109 CO 0.48 -0.06 -0.13 -0.91 -0.21 0.00 0.00 178.00 177.17 3lmu h ASN 110 N -0.10 -0.61 -0.19 -2.05 2.35 -2.00 0.66 115.58 113.64 3lmu h ASN 110 Ca 0.07 0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.98 3lmu h ASN 110 Cb 0.27 0.44 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 3lmu h ASN 110 CO -0.43 -0.24 -0.10 -0.33 -1.65 0.00 0.00 177.43 174.68 3lmu h GLU 111 N 0.03 0.41 -0.50 0.81 5.08 -1.86 -3.20 114.58 115.33 3lmu h GLU 111 Ca 0.39 -0.18 0.10 0.00 -1.00 0.00 0.00 59.36 58.67 3lmu h GLU 111 Cb 0.64 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.79 3lmu h GLU 111 CO -0.77 0.71 -0.10 0.00 -1.00 0.00 0.00 179.01 177.85 3lmu h ALA 112 N 0.69 0.37 -0.65 3.43 0.00 0.12 -1.97 119.26 121.24 3lmu h ALA 112 Ca 0.04 0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.26 3lmu h ALA 112 Cb 0.59 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 3lmu h ALA 112 CO 0.03 -0.43 0.16 1.25 0.00 0.00 0.00 179.25 180.25 3lmu h LEU 113 N 0.02 0.03 0.14 0.00 5.85 0.15 0.38 115.31 121.88 3lmu h LEU 113 Ca 0.24 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 3lmu h LEU 113 Cb 0.37 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3lmu h LEU 113 CO -0.50 0.01 -0.07 0.40 -0.34 0.00 0.00 178.44 177.95 3lmu h ILE 114 N 0.28 1.02 -0.67 4.05 2.04 -1.48 -0.16 117.51 122.59 3lmu h ILE 114 Ca 0.35 -0.74 0.13 0.00 1.00 0.00 0.00 64.86 65.60 3lmu h ILE 114 Cb 0.54 1.47 -0.13 0.00 -0.74 0.00 0.00 36.82 37.96 3lmu h ILE 114 CO -0.43 0.17 -0.18 0.15 0.00 0.00 0.00 178.15 177.87 3lmu h PHE 115 N -0.54 -0.38 0.32 1.37 3.04 -1.06 0.84 116.94 120.52 3lmu h PHE 115 Ca -0.02 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3lmu h PHE 115 Cb 0.42 0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.19 3lmu h PHE 115 CO 0.04 -0.30 -0.32 -0.92 -2.02 0.00 0.00 178.31 174.79 3lmu h TYR 116 N -0.01 -0.87 -0.89 0.41 3.20 -0.04 -0.85 116.97 117.91 3lmu h TYR 116 Ca 0.32 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.33 3lmu h TYR 116 Cb 0.50 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.04 3lmu h TYR 116 CO -0.55 -0.46 0.58 -0.91 -1.64 0.00 0.00 178.16 175.17 3lmu h ASN 117 N -0.67 0.70 -0.35 -2.11 2.35 -0.38 -1.08 115.58 114.04 3lmu h ASN 117 Ca -0.02 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3lmu h ASN 117 Cb 0.61 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3lmu h ASN 117 CO -0.07 0.36 0.22 0.11 -1.65 0.00 0.00 177.43 176.40 3lmu h LYS 118 N 0.74 0.46 -0.02 0.81 6.56 -0.19 -1.03 116.57 123.91 3lmu h LYS 118 Ca 0.44 -0.04 0.03 0.00 -1.06 0.00 0.00 60.65 60.03 3lmu h LYS 118 Cb 0.64 -0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 32.17 3lmu h LYS 118 CO -0.20 0.34 -0.20 0.82 -2.06 0.00 0.00 179.45 178.14 3lmu h ILE 119 N 0.46 0.53 -0.95 1.86 2.04 -0.01 -1.65 117.51 119.79 3lmu h ILE 119 Ca 0.12 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.10 3lmu h ILE 119 Cb -0.02 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 36.52 3lmu h ILE 119 CO -0.02 0.00 0.61 0.40 0.00 0.00 0.00 178.15 179.13 3lmu h ILE 120 N -0.31 0.93 0.07 -0.67 1.08 -0.99 0.25 117.51 117.87 3lmu h ILE 120 Ca 0.06 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3lmu h ILE 120 Cb 0.39 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 3lmu h ILE 120 CO -0.20 0.17 -0.03 0.44 -0.69 0.00 0.00 178.15 177.84 3lmu h ASP 121 N 0.92 -0.07 -0.49 1.72 3.32 -0.87 -2.51 116.42 118.44 3lmu h ASP 121 Ca 0.46 -0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.51 3lmu h ASP 121 Cb 0.49 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.98 3lmu h ASP 121 CO -0.22 0.05 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.26 3lmu h GLU 122 N -0.19 0.11 -0.57 3.56 4.57 -0.29 -0.82 114.58 120.95 3lmu h GLU 122 Ca -0.01 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.28 3lmu h GLU 122 Cb 0.16 -0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.62 3lmu h GLU 122 CO 0.01 0.07 -0.17 0.74 -1.18 0.00 0.00 179.01 178.48 3lmu h PHE 123 N 0.11 -0.40 -0.61 0.92 0.04 -0.80 0.22 116.94 116.42 3lmu h PHE 123 Ca 0.25 0.05 -0.08 0.00 2.80 0.00 0.00 57.97 61.00 3lmu h PHE 123 Cb 0.37 0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 3lmu h PHE 123 CO -0.31 -0.27 0.08 0.87 -0.60 0.00 0.00 178.31 178.07 3lmu h LYS 124 N -0.03 1.02 0.68 1.51 1.57 -0.83 0.26 116.57 120.75 3lmu h LYS 124 Ca 0.27 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3lmu h LYS 124 Cb 0.45 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3lmu h LYS 124 CO -0.61 0.97 -0.50 0.87 -0.57 0.00 0.00 179.45 179.61 3lmu h LYS 125 N 0.92 -1.09 -0.90 3.15 1.79 -0.16 -2.38 116.57 117.89 3lmu h LYS 125 Ca 0.18 0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.80 3lmu h LYS 125 Cb 0.46 0.25 -0.06 0.00 -1.58 0.00 0.00 32.23 31.29 3lmu h LYS 125 CO 0.02 -0.73 0.59 1.96 -1.08 0.00 0.00 179.45 180.20 3lmu h GLN 126 N -1.13 0.95 0.00 3.15 4.20 -0.47 -3.42 115.11 118.39 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 0.94 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3lmu h GLN 126 CO 0.04 0.63 0.00 0.98 -0.67 0.00 0.00 178.83 179.81 3lmu n TYR 127 N -4.51 0.00 -3.78 2.96 9.36 0.89 -5.09 117.16 116.99 3lmu n TYR 127 Ca 0.14 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.23 3lmu n TYR 127 Cb 0.24 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.81 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 -0.23 -0.15 0.45 2.98 2.47 -0.92 -4.92 114.94 114.61 3lmu s ASN 128 Ca 0.00 0.33 0.25 0.00 0.42 0.00 0.00 52.86 53.87 3lmu s ASN 128 Cb 0.00 0.28 1.28 0.00 -1.45 0.00 0.00 41.25 41.36 3lmu s ASN 128 CO 0.00 -0.10 1.76 -2.24 -3.72 0.00 0.00 177.10 172.79 3lmu h ASP 129 N 6.55 0.29 0.38 -4.21 -0.00 -1.92 -1.11 116.42 116.40 3lmu h ASP 129 Ca -0.34 0.07 0.00 0.00 -0.00 0.00 0.00 57.03 56.76 3lmu h ASP 129 Cb 1.17 0.03 0.00 0.00 -0.00 0.00 0.00 39.33 40.53 3lmu h ASP 129 CO 0.41 0.02 -0.33 -0.67 -0.00 0.00 0.00 179.24 178.68 3lmu n ASP 130 N -4.51 0.72 -0.01 4.15 2.03 -1.26 -3.98 116.55 113.70 3lmu n ASP 130 Ca 0.27 -0.56 0.10 0.00 0.52 0.00 0.00 54.79 55.12 3lmu n ASP 130 Cb 1.07 0.13 -0.14 0.00 -0.72 0.00 0.00 41.12 41.47 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 -1.04 0.64 -3.38 -0.67 4.76 -0.42 -4.90 118.16 113.15 3lmu n LYS 131 Ca 0.10 -0.12 -0.38 0.00 -2.87 0.00 0.00 58.31 55.04 3lmu n LYS 131 Cb 0.34 -1.44 -0.07 0.00 -1.84 0.00 0.00 35.03 32.02 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 -3.17 5.21 0.15 -0.18 -1.09 -1.20 -1.68 121.20 119.24 3lmu s ILE 132 Ca -0.03 0.81 0.08 0.00 -2.23 0.00 0.00 60.65 59.29 3lmu s ILE 132 Cb 0.13 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 3lmu s ILE 132 CO 0.80 0.32 -0.19 -0.54 -1.23 0.00 0.00 174.94 174.10 3lmu s LYS 133 N 0.79 1.25 0.32 2.79 -0.14 -0.60 -5.00 119.74 119.15 3lmu s LYS 133 Ca 0.22 -1.36 0.06 0.00 -1.36 0.00 0.00 55.97 53.53 3lmu s LYS 133 Cb -0.15 -1.35 -0.02 0.00 -1.68 0.00 0.00 37.83 34.63 3lmu s LYS 133 CO 0.08 0.28 0.22 0.44 -0.76 0.00 0.00 175.35 175.61 3lmu n ILE 134 N 0.45 0.00 -3.00 2.17 -5.35 -1.26 -0.58 119.36 111.79 3lmu n ILE 134 Ca -0.14 -2.20 0.00 0.00 -0.27 0.00 0.00 62.75 60.13 3lmu n ILE 134 Cb 0.56 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 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 -0.57 2.32 3.36 3.28 0.00 -1.21 -4.72 105.19 107.65 3lmu n GLY 135 Ca 0.03 -2.13 -0.45 0.00 0.00 0.00 0.00 46.02 43.48 3lmu n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lmu s LYS 136 N -1.33 2.99 0.10 1.61 -0.14 -1.26 -5.05 119.74 116.66 3lmu s LYS 136 Ca 0.00 -1.47 -0.35 0.00 -1.36 0.00 0.00 55.97 52.80 3lmu s LYS 136 Cb 0.00 -4.20 -0.18 0.00 -1.68 0.00 0.00 37.83 31.77 3lmu s LYS 136 CO 0.00 -1.17 0.87 0.34 -0.76 0.00 0.00 175.35 174.63 3lmu n PHE 137 N 5.30 0.29 -0.49 3.18 7.35 -1.26 -1.59 117.46 130.23 3lmu n PHE 137 Ca -0.13 0.98 0.00 0.00 -0.76 0.00 0.00 57.45 57.55 3lmu n PHE 137 Cb 0.42 -2.06 0.00 0.00 0.35 0.00 0.00 39.48 38.19 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 1.75 0.23 3.89 7.13 0.00 -1.26 -4.95 105.19 111.98 3lmu n GLY 138 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.21 6.51 -0.05 1.61 -0.87 -0.62 -5.03 114.94 114.28 3lmu s ASN 139 Ca 0.00 0.93 -0.30 0.00 -1.57 0.00 0.00 52.86 51.92 3lmu s ASN 139 Cb 0.00 -2.24 -0.04 0.00 -0.02 0.00 0.00 41.25 38.95 3lmu s ASN 139 CO 0.00 -0.26 1.40 -0.47 -2.57 0.00 0.00 177.10 175.19 3lmu s TYR 140 N -2.17 2.72 0.38 2.20 5.04 -1.26 -4.92 117.35 119.34 3lmu s TYR 140 Ca 0.48 0.78 0.08 0.00 -2.44 0.00 0.00 57.07 55.97 3lmu s TYR 140 Cb -0.11 -3.65 -0.05 0.00 0.35 0.00 0.00 41.96 38.51 3lmu s TYR 140 CO 0.29 -2.42 0.17 -1.64 -1.34 0.00 0.00 175.55 170.61 3lmu s MET 141 N 2.94 2.30 -0.17 4.97 -1.94 -1.26 -4.56 119.30 121.57 3lmu s MET 141 Ca 0.63 -1.69 -0.03 0.00 -1.71 0.00 0.00 55.69 52.88 3lmu s MET 141 Cb -0.29 -2.10 0.06 0.00 2.01 0.00 0.00 34.83 34.51 3lmu s MET 141 CO 0.24 -0.02 0.05 1.21 -0.01 0.00 0.00 175.02 176.50 3lmu s ASN 142 N -3.89 2.59 -0.20 3.03 2.47 -1.11 -4.97 114.94 112.86 3lmu s ASN 142 Ca 0.40 -0.68 -0.02 0.00 0.42 0.00 0.00 52.86 52.98 3lmu s ASN 142 Cb 0.00 -0.45 -0.00 0.00 -1.45 0.00 0.00 41.25 39.35 3lmu s ASN 142 CO 0.23 -0.31 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.57 3lmu s ILE 143 N 1.97 3.00 -0.56 -5.21 1.01 -1.26 -1.31 121.20 118.84 3lmu s ILE 143 Ca 0.01 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.85 3lmu s ILE 143 Cb -0.16 -2.33 0.11 0.00 0.01 0.00 0.00 42.46 40.09 3lmu s ILE 143 CO -0.08 0.46 0.59 -1.81 0.00 0.00 0.00 174.94 174.11 3lmu s ASP 144 N 1.30 6.19 -0.12 3.58 1.01 0.15 -4.93 116.67 123.85 3lmu s ASP 144 Ca 0.04 -1.56 -0.08 0.00 0.71 0.00 0.00 52.55 51.65 3lmu s ASP 144 Cb -0.14 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 3lmu s ASP 144 CO -0.05 -0.97 0.17 -0.69 0.21 0.00 0.00 175.17 173.84 3lmu s VAL 145 N 2.15 5.45 -0.55 -1.27 1.01 -1.26 -1.39 120.40 124.54 3lmu s VAL 145 Ca 0.07 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 3lmu s VAL 145 Cb -0.27 -3.45 0.14 0.00 0.00 0.00 0.00 36.38 32.81 3lmu s VAL 145 CO 0.05 0.58 0.38 -0.89 0.00 0.00 0.00 175.10 175.22 3lmu s THR 146 N -0.76 3.84 0.15 3.92 2.01 -0.47 -5.01 115.64 119.32 3lmu s THR 146 Ca 0.15 -2.42 -0.31 0.00 0.31 0.00 0.00 61.69 59.42 3lmu s THR 146 Cb -0.12 -3.53 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 3lmu s THR 146 CO 0.04 -0.82 1.38 0.20 -0.69 0.00 0.00 174.62 174.73 3lmu s ASN 147 N 1.54 6.82 -0.89 3.53 0.01 -1.26 -0.61 114.94 124.07 3lmu s ASN 147 Ca 0.12 2.39 -0.05 0.00 -0.71 0.00 0.00 52.86 54.61 3lmu s ASN 147 Cb -0.21 -2.60 0.22 0.00 0.41 0.00 0.00 41.25 39.07 3lmu s ASN 147 CO -0.04 -0.63 0.80 -0.62 -1.51 0.00 0.00 177.10 175.10 3lmu s ASP 148 N 0.85 6.24 0.00 -1.22 2.15 0.38 -4.74 116.67 120.34 3lmu s ASP 148 Ca 0.62 -3.47 0.00 0.00 0.43 0.00 0.00 52.55 50.14 3lmu s ASP 148 Cb -0.37 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 3lmu s ASP 148 CO 0.33 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.67 3lmu n GLY 149 N 2.74 -0.38 3.88 2.66 0.00 -1.26 -3.99 105.19 108.83 3lmu n GLY 149 Ca 0.19 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 2.52 -0.18 1.61 0.02 -1.26 -5.16 135.00 132.54 3lmu s PRO 150 Ca 0.00 0.37 -0.01 0.00 0.02 0.00 0.00 61.00 61.38 3lmu s PRO 150 Cb 0.00 -1.99 0.05 0.00 0.02 0.00 0.00 34.50 32.58 3lmu s PRO 150 CO 0.00 -1.26 -0.04 0.08 -0.33 0.00 0.00 177.00 175.45 3lmu s VAL 151 N -3.41 1.09 -0.14 3.83 1.01 -1.26 -5.04 120.40 116.48 3lmu s VAL 151 Ca 0.60 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3lmu s VAL 151 Cb -0.11 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3lmu s VAL 151 CO 0.51 0.02 -0.21 -0.89 0.00 0.00 0.00 175.10 174.54 3lmu s THR 152 N 1.62 2.17 -0.10 3.92 2.01 -1.26 -2.02 115.64 121.98 3lmu s THR 152 Ca -0.01 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.08 3lmu s THR 152 Cb -0.16 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.47 3lmu s THR 152 CO -0.07 0.54 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.56 3lmu s ILE 153 N 0.84 1.88 -0.07 1.82 -1.09 -0.06 -4.95 121.20 119.58 3lmu s ILE 153 Ca -0.06 -0.90 0.03 0.00 -2.23 0.00 0.00 60.65 57.49 3lmu s ILE 153 Cb -0.15 -1.64 -0.02 0.00 -1.58 0.00 0.00 42.46 39.06 3lmu s ILE 153 CO -0.02 0.52 -0.15 -0.47 -1.23 0.00 0.00 174.94 173.59 3lmu s TYR 154 N 0.52 2.70 0.01 3.97 5.04 -1.26 0.46 117.35 128.79 3lmu s TYR 154 Ca -0.15 -0.31 0.01 0.00 -2.44 0.00 0.00 57.07 54.17 3lmu s TYR 154 Cb -0.17 -1.67 -0.01 0.00 0.35 0.00 0.00 41.96 40.46 3lmu s TYR 154 CO 0.06 0.06 -0.03 0.42 -1.34 0.00 0.00 175.55 174.72 3lmu s ILE 155 N -0.44 0.18 -0.39 3.14 1.01 -0.46 -5.00 121.20 119.24 3lmu s ILE 155 Ca 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.41 3lmu s ILE 155 Cb -0.12 -0.20 0.14 0.00 0.01 0.00 0.00 42.46 42.30 3lmu s ILE 155 CO 0.02 -0.08 0.24 -0.62 0.00 0.00 0.00 174.94 174.50 3lmu s ASP 156 N -0.40 2.96 0.21 3.58 -1.08 -1.26 -1.10 116.67 119.57 3lmu s ASP 156 Ca -0.03 -2.45 0.11 0.00 -0.52 0.00 0.00 52.55 49.66 3lmu s ASP 156 Cb -0.03 -0.58 0.61 0.00 -1.46 0.00 0.00 42.92 41.46 3lmu s ASP 156 CO -0.00 -0.28 1.28 0.35 0.52 0.00 0.00 175.17 177.04 3lmu n THR 157 N 3.71 1.12 0.62 1.71 -2.24 -0.42 -1.49 114.28 117.30 3lmu n THR 157 Ca 0.14 0.65 0.00 0.00 -2.27 0.00 0.00 64.05 62.57 3lmu n THR 157 Cb 0.38 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 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 -1.89 0.00 0.28 4.78 8.25 -1.26 -4.90 115.22 120.49 3lmu n HIS 158 Ca -0.01 -0.39 0.03 0.00 -0.26 0.00 0.00 57.72 57.09 3lmu n HIS 158 Cb 0.14 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 31.05 3lmu n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73