#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 0.66 -0.01 0.03 0.52 -0.12 -1.26 118.95 118.78 3lmu s ARG 2 Ca 0.00 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.05 3lmu s ARG 2 Cb 0.00 -0.66 -0.00 0.00 0.52 0.00 0.00 34.95 34.81 3lmu s ARG 2 CO 0.00 0.06 -0.08 0.54 0.02 0.00 0.00 175.30 175.83 3lmu s VAL 3 N 0.28 0.68 -0.20 3.52 0.11 -0.32 0.57 120.40 125.05 3lmu s VAL 3 Ca -0.03 -0.34 -0.04 0.00 -2.93 0.00 0.00 61.98 58.64 3lmu s VAL 3 Cb -0.08 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 3lmu s VAL 3 CO -0.00 0.20 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.25 3lmu s VAL 4 N -0.02 3.58 -0.16 2.04 1.01 -0.84 -1.46 120.40 124.55 3lmu s VAL 4 Ca 0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3lmu s VAL 4 Cb -0.05 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3lmu s VAL 4 CO -0.00 0.44 -0.08 -0.63 0.00 0.00 0.00 175.10 174.83 3lmu s ILE 5 N 1.12 3.42 -0.16 2.22 1.01 0.11 -1.42 121.20 127.49 3lmu s ILE 5 Ca 0.02 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3lmu s ILE 5 Cb -0.15 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.84 3lmu s ILE 5 CO 0.00 0.49 -0.19 -1.10 0.00 0.00 0.00 174.94 174.14 3lmu s GLN 6 N 0.66 3.06 0.10 2.79 -1.52 -0.48 -0.85 119.66 123.42 3lmu s GLN 6 Ca -0.04 -0.82 -0.30 0.00 -1.95 0.00 0.00 55.36 52.25 3lmu s GLN 6 Cb -0.15 -2.55 -0.06 0.00 -0.22 0.00 0.00 33.01 30.03 3lmu s GLN 6 CO 0.02 -0.09 1.13 0.50 -0.25 0.00 0.00 175.29 176.61 3lmu s ARG 7 N 1.03 4.51 0.07 2.91 3.52 -0.90 -1.06 118.95 129.03 3lmu s ARG 7 Ca -0.02 1.71 0.02 0.00 -0.13 0.00 0.00 55.73 57.31 3lmu s ARG 7 Cb -0.14 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 3lmu s ARG 7 CO -0.06 -0.11 -0.07 0.14 -0.81 0.00 0.00 175.30 174.39 3lmu s VAL 8 N 0.57 0.58 -0.23 7.11 -7.23 -0.03 -0.74 120.40 120.43 3lmu s VAL 8 Ca 0.54 -1.48 0.19 0.00 -1.81 0.00 0.00 61.98 59.43 3lmu s VAL 8 Cb -0.28 -1.10 0.05 0.00 0.56 0.00 0.00 36.38 35.60 3lmu s VAL 8 CO 0.31 -0.63 1.22 0.11 -0.31 0.00 0.00 175.10 175.80 3lmu h LYS 9 N 3.78 0.00 0.00 4.82 1.79 -0.89 -2.35 116.57 123.71 3lmu h LYS 9 Ca -0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 3lmu h LYS 9 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3lmu h LYS 9 CO 0.52 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 179.52 3lmu n GLY 10 N 1.23 0.46 3.32 3.86 0.00 -1.19 -1.69 105.19 111.19 3lmu n GLY 10 Ca -0.01 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.05 -0.30 4.61 0.00 0.32 -1.17 121.76 122.16 3lmu s ALA 11 Ca 0.00 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 3lmu s ALA 11 Cb 0.00 -0.61 0.10 0.00 0.00 0.00 0.00 23.12 22.61 3lmu s ALA 11 CO 0.00 -0.21 0.09 0.42 0.00 0.00 0.00 175.76 176.06 3lmu s ILE 12 N 0.04 0.77 -0.15 0.00 1.01 -0.31 -1.10 121.20 121.46 3lmu s ILE 12 Ca -0.02 -1.26 -0.17 0.00 0.00 0.00 0.00 60.65 59.20 3lmu s ILE 12 Cb -0.03 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 3lmu s ILE 12 CO 0.01 -0.63 0.43 -0.22 0.00 0.00 0.00 174.94 174.54 3lmu s LEU 13 N 1.68 4.23 0.21 2.97 0.20 0.13 -2.42 118.68 125.69 3lmu s LEU 13 Ca 0.08 0.68 0.08 0.00 0.69 0.00 0.00 54.13 55.67 3lmu s LEU 13 Cb -0.17 -2.60 -0.05 0.00 -0.43 0.00 0.00 46.19 42.94 3lmu s LEU 13 CO -0.24 -0.02 -0.15 -0.44 -0.29 0.00 0.00 176.35 175.20 3lmu s SER 14 N 0.75 2.74 0.07 3.68 0.01 -0.49 -0.64 113.70 119.82 3lmu s SER 14 Ca 0.23 -1.01 0.01 0.00 1.31 0.00 0.00 55.95 56.48 3lmu s SER 14 Cb -0.15 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 3lmu s SER 14 CO 0.09 -0.13 -0.05 0.68 0.41 0.00 0.00 173.24 174.23 3lmu s VAL 15 N -2.85 0.47 0.00 3.43 -7.23 0.28 -1.18 120.40 113.32 3lmu s VAL 15 Ca 0.23 -1.69 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 3lmu s VAL 15 Cb -0.02 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 3lmu s VAL 15 CO 0.08 -0.81 0.95 0.00 -0.31 0.00 0.00 175.10 175.01 3lmu s ARG 16 N -3.34 4.56 0.66 4.82 1.70 -1.05 -1.25 118.95 125.05 3lmu s ARG 16 Ca 0.05 1.37 -0.12 0.00 -0.47 0.00 0.00 55.73 56.56 3lmu s ARG 16 Cb 0.03 -3.45 -0.01 0.00 -0.57 0.00 0.00 34.95 30.95 3lmu s ARG 16 CO -0.05 -0.01 1.05 -1.59 -1.08 0.00 0.00 175.30 173.62 3lmu s LYS 17 N 0.88 3.10 0.00 3.89 -2.85 -0.84 -4.92 119.74 119.01 3lmu s LYS 17 Ca 0.50 1.00 0.00 0.00 -1.00 0.00 0.00 55.97 56.47 3lmu s LYS 17 Cb -0.21 -2.01 0.00 0.00 -2.06 0.00 0.00 37.83 33.55 3lmu s LYS 17 CO 0.27 -0.97 0.16 -0.85 0.10 0.00 0.00 175.35 174.06 3lmu n GLU 18 N -2.80 0.00 -2.69 1.78 0.28 -1.26 -4.26 120.64 111.69 3lmu n GLU 18 Ca 0.08 0.17 -0.43 0.00 -0.16 0.00 0.00 57.16 56.82 3lmu n GLU 18 Cb 0.53 -0.79 -0.01 0.00 1.43 0.00 0.00 31.44 32.60 3lmu n GLU 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3lmu s ASN 19 N -1.75 6.75 0.23 -1.84 4.22 -1.26 -4.97 114.94 116.33 3lmu s ASN 19 Ca 0.00 -2.19 -0.08 0.00 -2.14 0.00 0.00 52.86 48.44 3lmu s ASN 19 Cb 0.00 -2.52 -0.07 0.00 1.28 0.00 0.00 41.25 39.94 3lmu s ASN 19 CO 0.00 -1.18 0.54 -0.63 -2.04 0.00 0.00 177.10 173.79 3lmu s ILE 20 N 3.76 4.96 -0.39 0.54 1.09 -1.26 -5.07 121.20 124.83 3lmu s ILE 20 Ca 0.47 0.37 0.05 0.00 -1.10 0.00 0.00 60.65 60.44 3lmu s ILE 20 Cb 0.00 -3.64 0.31 0.00 -1.06 0.00 0.00 42.46 38.08 3lmu s ILE 20 CO -0.01 -0.11 1.25 0.61 -0.10 0.00 0.00 174.94 176.58 3lmu n GLY 21 N -0.26 -0.27 2.19 6.18 0.00 -1.26 -5.17 105.19 106.60 3lmu n GLY 21 Ca -0.00 0.34 -0.06 0.00 0.00 0.00 0.00 46.02 46.30 3lmu n GLY 21 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3lmu n GLU 22 N 0.27 -1.27 -1.95 1.61 0.28 -1.26 -5.26 120.64 113.07 3lmu n GLU 22 Ca -0.02 0.36 -0.37 0.00 -0.16 0.00 0.00 57.16 56.98 3lmu n GLU 22 Cb 0.73 -3.42 0.04 0.00 1.43 0.00 0.00 31.44 30.22 3lmu n GLU 22 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 3lmu s LYS 25 N -3.76 2.97 -0.06 3.44 0.00 -1.26 -5.29 119.74 115.78 3lmu s LYS 25 Ca 0.16 1.93 0.21 0.00 0.00 0.00 0.00 55.97 58.26 3lmu s LYS 25 Cb -0.02 -1.99 -0.32 0.00 0.00 0.00 0.00 37.83 35.50 3lmu s LYS 25 CO 0.31 -1.23 0.39 -1.91 0.00 0.00 0.00 175.35 172.91 3lmu n GLU 26 N -1.50 0.67 -3.61 1.78 2.13 -1.26 -4.93 120.64 113.91 3lmu n GLU 26 Ca 0.13 -0.16 -0.20 0.00 0.66 0.00 0.00 57.16 57.60 3lmu n GLU 26 Cb 0.49 -1.51 -0.01 0.00 0.27 0.00 0.00 31.44 30.68 3lmu n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3lmu s LEU 27 N -4.67 3.99 -0.28 4.31 1.43 -1.26 -1.98 118.68 120.21 3lmu s LEU 27 Ca -0.08 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 3lmu s LEU 27 Cb 0.12 -2.70 0.12 0.00 0.03 0.00 0.00 46.19 43.76 3lmu s LEU 27 CO 0.87 -0.35 0.61 -0.70 0.23 0.00 0.00 176.35 177.01 3lmu s GLU 28 N -4.11 0.53 -0.13 1.70 2.12 -0.38 -4.84 118.70 113.59 3lmu s GLU 28 Ca 0.42 1.37 -0.29 0.00 0.36 0.00 0.00 54.97 56.83 3lmu s GLU 28 Cb -0.09 0.75 -0.02 0.00 0.26 0.00 0.00 34.13 35.03 3lmu s GLU 28 CO 0.30 -0.21 1.25 0.42 -0.54 0.00 0.00 175.26 176.48 3lmu s ILE 29 N 2.81 4.25 0.00 -3.70 1.01 -1.26 -0.56 121.20 123.75 3lmu s ILE 29 Ca -0.05 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.13 3lmu s ILE 29 Cb -0.12 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3lmu s ILE 29 CO -0.18 -0.09 0.32 2.30 0.00 0.00 0.00 174.94 177.30 3lmu n ILE 30 N 5.12 0.00 -3.64 2.92 -5.35 0.19 -4.96 119.36 113.64 3lmu n ILE 30 Ca 0.13 -0.47 -0.02 0.00 -0.27 0.00 0.00 62.75 62.12 3lmu n ILE 30 Cb 0.45 1.05 -0.07 0.00 -1.74 0.00 0.00 39.64 39.33 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 -0.28 -0.48 -0.11 7.28 0.15 -1.16 -4.99 113.70 114.10 3lmu s SER 31 Ca 0.00 0.77 -0.12 0.00 0.70 0.00 0.00 55.95 57.30 3lmu s SER 31 Cb 0.00 1.19 0.03 0.00 -1.71 0.00 0.00 66.02 65.53 3lmu s SER 31 CO 0.00 -0.12 0.34 -0.70 1.20 0.00 0.00 173.24 173.96 3lmu s GLU 32 N 1.30 0.45 0.07 5.44 2.12 -1.26 0.23 118.70 127.04 3lmu s GLU 32 Ca -0.09 0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.62 3lmu s GLU 32 Cb -0.04 0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.53 3lmu s GLU 32 CO -0.14 -0.07 -0.07 0.96 -0.54 0.00 0.00 175.26 175.40 3lmu s ILE 33 N -0.08 0.56 0.00 -3.70 -4.36 -0.26 -4.99 121.20 108.37 3lmu s ILE 33 Ca -0.02 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 3lmu s ILE 33 Cb -0.03 -1.16 0.00 0.00 1.25 0.00 0.00 42.46 42.52 3lmu s ILE 33 CO 0.01 -0.66 0.00 0.29 0.24 0.00 0.00 174.94 174.82 3lmu n LYS 34 N 0.67 1.15 -1.82 0.37 4.76 -1.26 -0.52 118.16 121.51 3lmu n LYS 34 Ca -0.17 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 54.90 3lmu n LYS 34 Cb 0.58 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.83 3lmu n LYS 34 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3lmu s ASN 35 N -1.00 4.83 0.00 4.39 -0.87 -0.68 -3.16 114.94 118.45 3lmu s ASN 35 Ca 0.00 2.58 0.00 0.00 -1.57 0.00 0.00 52.86 53.87 3lmu s ASN 35 Cb 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 3lmu s ASN 35 CO 0.00 -1.85 0.00 0.61 -2.57 0.00 0.00 177.10 173.29 3lmu n GLY 36 N 0.78 0.40 3.60 0.66 0.00 -0.88 -2.22 105.19 107.52 3lmu n GLY 36 Ca 0.15 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 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 3.10 -0.16 0.99 1.43 -0.47 -0.85 118.68 122.72 3lmu s LEU 37 Ca 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3lmu s LEU 37 Cb 0.00 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3lmu s LEU 37 CO 0.00 0.15 -0.16 -0.51 0.23 0.00 0.00 176.35 176.05 3lmu s ILE 38 N -1.41 2.52 -0.26 -0.59 2.07 -0.22 -1.22 121.20 122.09 3lmu s ILE 38 Ca 0.23 -0.81 -0.01 0.00 -1.41 0.00 0.00 60.65 58.65 3lmu s ILE 38 Cb -0.10 -2.06 0.03 0.00 0.13 0.00 0.00 42.46 40.46 3lmu s ILE 38 CO 0.15 0.52 -0.06 0.00 -1.91 0.00 0.00 174.94 173.64 3lmu s PHE 40 N 1.29 3.07 -0.22 0.00 0.08 -0.51 -1.30 117.98 120.40 3lmu s PHE 40 Ca -0.02 0.67 -0.06 0.00 0.12 0.00 0.00 56.93 57.65 3lmu s PHE 40 Cb -0.17 -3.62 -0.02 0.00 -0.57 0.00 0.00 43.02 38.63 3lmu s PHE 40 CO -0.04 -0.83 0.02 -1.17 -0.10 0.00 0.00 175.22 173.09 3lmu s LEU 41 N 3.41 3.28 -0.32 -0.37 2.96 0.27 -1.98 118.68 125.93 3lmu s LEU 41 Ca 0.36 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.98 3lmu s LEU 41 Cb -0.12 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.75 3lmu s LEU 41 CO 0.19 0.03 0.11 -0.83 -1.32 0.00 0.00 176.35 174.52 3lmu s GLY 42 N 1.23 1.83 -0.28 7.98 0.00 0.19 0.23 107.32 118.50 3lmu s GLY 42 Ca 0.04 -1.61 -0.22 0.00 0.00 0.00 0.00 44.72 42.92 3lmu s GLY 42 CO 0.02 0.73 0.72 -0.26 0.00 0.00 0.00 173.10 174.31 3lmu s ILE 43 N 1.46 4.88 0.29 0.90 -5.25 -1.26 -0.94 121.20 121.28 3lmu s ILE 43 Ca 0.01 1.17 -0.20 0.00 -0.99 0.00 0.00 60.65 60.63 3lmu s ILE 43 Cb -0.18 -4.06 -0.09 0.00 2.95 0.00 0.00 42.46 41.08 3lmu s ILE 43 CO 0.03 -0.13 0.81 -2.28 -1.79 0.00 0.00 174.94 171.58 3lmu s HIS 44 N 2.76 3.56 0.21 1.37 2.46 -1.26 -2.37 115.29 122.01 3lmu s HIS 44 Ca 0.30 1.47 -0.09 0.00 0.47 0.00 0.00 55.06 57.21 3lmu s HIS 44 Cb -0.15 -2.70 0.29 0.00 -0.13 0.00 0.00 32.58 29.89 3lmu s HIS 44 CO 0.10 0.20 1.73 1.57 -2.47 0.00 0.00 174.74 175.87 3lmu h LYS 45 N 2.93 0.35 -1.00 2.88 2.10 -1.26 -1.03 116.57 121.54 3lmu h LYS 45 Ca -0.48 -0.02 -0.19 0.00 -2.00 0.00 0.00 60.65 57.96 3lmu h LYS 45 Cb 1.19 -0.08 -0.12 0.00 -0.90 0.00 0.00 32.23 32.32 3lmu h LYS 45 CO 0.65 0.23 0.25 0.09 -2.00 0.00 0.00 179.45 178.66 3lmu n ASN 46 N -5.04 3.28 -4.74 7.07 5.03 -1.26 -4.87 115.26 114.73 3lmu n ASN 46 Ca 0.09 -2.61 -0.41 0.00 0.87 0.00 0.00 54.58 52.52 3lmu n ASN 46 Cb 0.30 -0.63 -0.05 0.00 -1.02 0.00 0.00 39.78 38.38 3lmu n ASN 46 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3lmu s ASP 47 N 0.12 7.39 0.32 6.41 1.11 -0.39 -5.01 116.67 126.62 3lmu s ASP 47 Ca 0.22 2.02 0.07 0.00 0.18 0.00 0.00 52.55 55.04 3lmu s ASP 47 Cb 0.18 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 3lmu s ASP 47 CO 0.04 -0.10 0.36 0.42 1.18 0.00 0.00 175.17 177.08 3lmu s THR 48 N -0.50 4.03 -0.15 -1.27 -4.23 -1.26 -5.01 115.64 107.25 3lmu s THR 48 Ca 0.46 -1.18 0.29 0.00 -1.18 0.00 0.00 61.69 60.08 3lmu s THR 48 Cb -0.28 -3.37 0.31 0.00 1.34 0.00 0.00 72.50 70.50 3lmu s THR 48 CO 0.34 -0.20 1.86 -0.25 -0.54 0.00 0.00 174.62 175.83 3lmu h TRP 49 N 1.12 0.00 -0.18 3.99 2.91 -2.00 -1.30 115.95 120.48 3lmu h TRP 49 Ca -0.46 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 59.42 3lmu h TRP 49 Cb 1.25 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 3lmu h TRP 49 CO 0.48 0.00 -0.49 0.93 -1.03 0.00 0.00 178.44 178.33 3lmu h GLU 50 N 0.00 0.48 -0.12 2.65 4.39 -1.99 -1.44 114.58 118.55 3lmu h GLU 50 Ca 0.00 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.44 3lmu h GLU 50 Cb 0.35 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3lmu h GLU 50 CO 0.00 0.86 0.02 -0.44 -1.16 0.00 0.00 179.01 178.29 3lmu h ASP 51 N 0.38 0.00 -0.25 1.42 3.32 -1.63 -1.81 116.42 117.85 3lmu h ASP 51 Ca 0.02 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.13 3lmu h ASP 51 Cb 0.99 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 3lmu h ASP 51 CO 0.09 0.02 0.02 0.00 -1.72 0.00 0.00 179.24 177.65 3lmu h ALA 52 N 1.09 0.23 -0.51 3.45 0.00 -1.37 -2.60 119.26 119.55 3lmu h ALA 52 Ca 0.05 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3lmu h ALA 52 Cb 0.05 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3lmu h ALA 52 CO -0.07 -0.40 0.14 -0.07 0.00 0.00 0.00 179.25 178.85 3lmu h LEU 53 N 0.10 0.09 -0.22 0.00 3.38 -0.99 -1.05 115.31 116.61 3lmu h LEU 53 Ca 0.12 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3lmu h LEU 53 Cb 0.14 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3lmu h LEU 53 CO -0.18 0.07 0.01 0.22 0.09 0.00 0.00 178.44 178.65 3lmu h TYR 54 N 0.30 0.00 0.39 1.13 3.20 -0.96 -1.23 116.97 119.80 3lmu h TYR 54 Ca 0.26 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 3lmu h TYR 54 Cb 0.32 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3lmu h TYR 54 CO -0.20 -0.02 -0.29 0.82 -1.64 0.00 0.00 178.16 176.83 3lmu h ILE 55 N 0.08 0.00 -1.35 1.81 1.08 -1.15 -0.04 117.51 117.95 3lmu h ILE 55 Ca 0.10 0.00 0.39 0.00 -0.39 0.00 0.00 64.86 64.97 3lmu h ILE 55 Cb 0.13 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.82 3lmu h ILE 55 CO -0.17 0.00 1.22 0.40 -0.69 0.00 0.00 178.15 178.91 3lmu h ILE 56 N -0.65 0.06 0.00 -0.67 2.04 -1.05 0.50 117.51 117.74 3lmu h ILE 56 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3lmu h ILE 56 Cb 0.53 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3lmu h ILE 56 CO 0.02 0.00 -0.15 0.03 0.00 0.00 0.00 178.15 178.04 3lmu h ARG 57 N 0.00 0.00 -0.99 2.37 3.08 -0.39 -2.95 114.38 115.50 3lmu h ARG 57 Ca 0.64 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.76 3lmu h ARG 57 Cb 3.08 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 33.06 3lmu h ARG 57 CO -0.01 0.00 0.63 1.57 -1.07 0.00 0.00 179.97 181.10 3lmu h LYS 58 N -0.88 1.11 -0.97 0.04 -0.00 -0.19 -0.37 116.57 115.32 3lmu h LYS 58 Ca 0.00 -0.07 0.04 0.00 -0.00 0.00 0.00 60.65 60.62 3lmu h LYS 58 Cb 0.15 -0.25 -0.06 0.00 -0.00 0.00 0.00 32.23 32.08 3lmu h LYS 58 CO 0.00 0.73 0.63 0.00 -0.00 0.00 0.00 179.45 180.82 3lmu n LEU 60 N -4.44 1.98 0.00 0.00 4.77 -0.78 -4.62 117.00 113.91 3lmu n LEU 60 Ca 0.13 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3lmu n LEU 60 Cb 0.10 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3lmu n LEU 60 CO 0.35 0.34 -0.32 0.59 -1.33 0.00 0.00 177.39 177.01 3lmu n ASN 61 N 0.46 3.22 -4.68 -1.43 3.02 -0.22 -4.09 115.26 111.54 3lmu n ASN 61 Ca 0.16 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.27 3lmu n ASN 61 Cb 0.44 0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.98 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 -1.36 3.24 -4.53 3.41 4.77 0.02 -4.58 117.00 117.97 3lmu n LEU 62 Ca 0.00 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.69 3lmu n LEU 62 Cb 0.26 -1.45 -0.01 0.00 -2.33 0.00 0.00 43.42 39.89 3lmu n LEU 62 CO 0.00 -0.43 1.62 -0.13 -1.33 0.00 0.00 177.39 177.12 3lmu s ARG 63 N -0.49 3.92 -0.11 3.23 0.52 -1.26 -4.06 118.95 120.70 3lmu s ARG 63 Ca 0.67 -2.02 0.18 0.00 -0.52 0.00 0.00 55.73 54.04 3lmu s ARG 63 Cb -0.63 -5.30 0.71 0.00 0.52 0.00 0.00 34.95 30.24 3lmu s ARG 63 CO 0.50 -2.05 1.62 1.28 0.02 0.00 0.00 175.30 176.67 3lmu n LEU 64 N 7.43 4.69 -4.20 2.53 4.77 -0.46 -3.04 117.00 128.71 3lmu n LEU 64 Ca 0.40 -2.45 -0.18 0.00 -0.03 0.00 0.00 56.01 53.75 3lmu n LEU 64 Cb 0.46 -0.57 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 3lmu n LEU 64 CO 0.68 0.81 -0.45 0.26 -1.33 0.00 0.00 177.39 177.36 3lmu s TRP 65 N -1.84 1.28 0.30 -1.77 0.51 -0.70 -4.89 118.94 111.82 3lmu s TRP 65 Ca 0.50 -0.50 -0.02 0.00 -2.12 0.00 0.00 56.10 53.97 3lmu s TRP 65 Cb 0.32 -0.70 0.06 0.00 -0.81 0.00 0.00 33.47 32.35 3lmu s TRP 65 CO 0.24 0.08 0.41 0.09 -0.51 0.00 0.00 176.95 177.26 3lmu n ASN 66 N 1.01 0.40 0.00 2.95 3.02 -1.26 -0.21 115.26 121.16 3lmu n ASN 66 Ca -0.19 -1.37 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 3lmu n ASN 66 Cb 0.55 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 3lmu n ASN 66 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lmu n ASN 67 N -3.05 0.00 -0.59 6.41 4.13 -1.26 -4.68 115.26 116.21 3lmu n ASN 67 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 3lmu n ASN 67 Cb 0.22 0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 3lmu n ASN 67 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3lmu n LYS 70 N -1.66 0.00 -3.37 3.52 5.02 -1.26 -5.19 118.16 115.21 3lmu n LYS 70 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 3lmu n LYS 70 Cb 0.00 -0.30 -0.05 0.00 -0.02 0.00 0.00 35.03 34.66 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 -2.23 4.92 -1.10 -0.18 -4.23 -1.26 -4.44 115.64 107.12 3lmu s THR 71 Ca 0.00 0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 60.81 3lmu s THR 71 Cb 0.00 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 3lmu s THR 71 CO 0.00 -0.12 0.83 0.79 -0.54 0.00 0.00 174.62 175.58 3lmu n TRP 72 N -0.27 -2.11 -0.03 3.99 7.02 -1.24 -4.95 117.44 119.85 3lmu n TRP 72 Ca 0.00 0.60 -0.07 0.00 -1.02 0.00 0.00 57.50 57.01 3lmu n TRP 72 Cb 0.53 -3.66 -0.02 0.00 -2.42 0.00 0.00 31.31 25.73 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 -2.82 1.15 -4.68 -0.99 2.03 0.70 -4.72 116.55 107.22 3lmu n ASP 73 Ca -0.08 0.18 -0.31 0.00 0.52 0.00 0.00 54.79 55.09 3lmu n ASP 73 Cb 0.60 -0.42 -0.08 0.00 -0.72 0.00 0.00 41.12 40.49 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 -2.29 2.62 0.60 -0.67 -0.14 -0.85 -4.76 119.74 114.23 3lmu s LYS 74 Ca -0.14 -0.76 0.02 0.00 -1.36 0.00 0.00 55.97 53.74 3lmu s LYS 74 Cb 0.04 -2.57 0.11 0.00 -1.68 0.00 0.00 37.83 33.73 3lmu s LYS 74 CO 0.18 0.57 0.82 0.27 -0.76 0.00 0.00 175.35 176.44 3lmu n ASN 75 N 0.92 1.37 -0.32 2.83 0.23 -1.26 -1.36 115.26 117.67 3lmu n ASN 75 Ca -0.12 -2.09 -0.05 0.00 -0.53 0.00 0.00 54.58 51.79 3lmu n ASN 75 Cb 0.52 -0.51 0.08 0.00 -2.08 0.00 0.00 39.78 37.80 3lmu n ASN 75 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3lmu h VAL 76 N -0.38 1.26 -0.10 3.53 3.04 -1.76 -2.85 116.25 118.98 3lmu h VAL 76 Ca -0.27 -0.72 0.02 0.00 -1.01 0.00 0.00 66.70 64.72 3lmu h VAL 76 Cb 1.07 0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.47 3lmu h VAL 76 CO 0.32 0.31 -0.00 0.11 -1.01 0.00 0.00 177.57 177.30 3lmu h LYS 77 N 1.23 0.03 -0.67 4.17 1.57 -1.87 -1.57 116.57 119.47 3lmu h LYS 77 Ca 0.30 -0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.20 3lmu h LYS 77 Cb 0.10 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.31 3lmu h LYS 77 CO -0.04 0.02 0.22 -0.44 -0.57 0.00 0.00 179.45 178.64 3lmu h ASP 78 N 0.03 0.16 -0.04 0.86 3.32 -1.85 -0.18 116.42 118.72 3lmu h ASP 78 Ca 0.05 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3lmu h ASP 78 Cb 0.06 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3lmu h ASP 78 CO -0.08 0.07 0.00 0.18 -1.72 0.00 0.00 179.24 177.69 3lmu n LEU 79 N -5.05 0.48 -3.60 1.55 4.77 -1.13 -4.92 117.00 109.10 3lmu n LEU 79 Ca 0.11 -0.19 -0.21 0.00 -0.03 0.00 0.00 56.01 55.69 3lmu n LEU 79 Cb 0.35 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.48 3lmu n LEU 79 CO 0.18 0.10 0.08 -3.20 -1.33 0.00 0.00 177.39 173.22 3lmu n ASN 80 N -0.50 -2.85 -5.01 -1.43 2.85 -0.08 -5.00 115.26 103.24 3lmu n ASN 80 Ca 0.16 -0.69 -0.19 0.00 -0.11 0.00 0.00 54.58 53.75 3lmu n ASN 80 Cb 0.15 -4.62 0.03 0.00 1.24 0.00 0.00 39.78 36.58 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 -3.45 1.94 0.28 1.20 2.02 -0.62 -5.05 117.35 113.67 3lmu s TYR 81 Ca 0.18 -0.62 0.07 0.00 -0.37 0.00 0.00 57.07 56.33 3lmu s TYR 81 Cb -0.09 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 3lmu s TYR 81 CO 0.77 -0.80 0.31 -1.21 -1.57 0.00 0.00 175.55 173.04 3lmu s GLU 82 N -4.50 3.05 0.04 -0.62 2.02 -0.94 -4.79 118.70 112.96 3lmu s GLU 82 Ca 0.56 -1.02 0.07 0.00 0.02 0.00 0.00 54.97 54.61 3lmu s GLU 82 Cb -0.07 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.46 3lmu s GLU 82 CO 0.35 0.29 -0.21 -0.51 0.02 0.00 0.00 175.26 175.19 3lmu s LEU 83 N -3.97 2.17 -0.20 1.80 1.02 -0.75 -1.36 118.68 117.38 3lmu s LEU 83 Ca 0.37 -0.53 -0.00 0.00 0.02 0.00 0.00 54.13 53.99 3lmu s LEU 83 Cb -0.08 -1.00 0.02 0.00 0.02 0.00 0.00 46.19 45.15 3lmu s LEU 83 CO 0.27 0.17 -0.14 -0.22 0.02 0.00 0.00 176.35 176.45 3lmu s LEU 84 N -1.20 2.54 -0.21 1.79 2.96 -0.36 -1.72 118.68 122.50 3lmu s LEU 84 Ca 0.08 -0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 53.19 3lmu s LEU 84 Cb -0.09 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3lmu s LEU 84 CO 0.02 -0.04 0.09 -0.63 -1.32 0.00 0.00 176.35 174.46 3lmu s ILE 85 N 1.31 4.85 -0.10 6.68 -1.09 0.60 -0.72 121.20 132.73 3lmu s ILE 85 Ca 0.03 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 3lmu s ILE 85 Cb -0.14 -3.22 0.02 0.00 -1.58 0.00 0.00 42.46 37.54 3lmu s ILE 85 CO -0.09 0.41 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.25 3lmu s VAL 86 N 0.73 1.08 0.13 2.92 1.01 -0.42 -3.31 120.40 122.54 3lmu s VAL 86 Ca 0.05 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 3lmu s VAL 86 Cb -0.13 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.10 3lmu s VAL 86 CO 0.02 0.37 1.48 -0.55 0.00 0.00 0.00 175.10 176.41 3lmu s SER 87 N 1.42 6.71 -0.30 3.32 0.15 -1.26 -0.57 113.70 123.17 3lmu s SER 87 Ca -0.00 2.45 -0.02 0.00 0.70 0.00 0.00 55.95 59.08 3lmu s SER 87 Cb -0.13 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 61.71 3lmu s SER 87 CO -0.05 -0.74 0.20 -1.58 1.20 0.00 0.00 173.24 172.27 3lmu s GLN 88 N 1.25 0.31 0.24 5.44 2.00 0.14 -4.81 119.66 124.22 3lmu s GLN 88 Ca 0.67 -0.58 0.26 0.00 -2.00 0.00 0.00 55.36 53.71 3lmu s GLN 88 Cb -0.40 -1.03 0.82 0.00 0.80 0.00 0.00 33.01 33.20 3lmu s GLN 88 CO 0.31 -1.06 1.76 0.27 -0.50 0.00 0.00 175.29 176.06 3lmu h PHE 89 N 8.07 0.00 0.00 1.67 -5.15 -1.94 -3.22 116.94 116.37 3lmu h PHE 89 Ca -0.13 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.64 3lmu h PHE 89 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.19 3lmu h PHE 89 CO 0.31 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 176.87 3lmu n THR 90 N -2.34 1.34 -0.14 0.88 -2.24 -1.26 -1.65 114.28 108.86 3lmu n THR 90 Ca 0.05 0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 62.12 3lmu n THR 90 Cb 0.40 -1.25 -0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 0.54 -0.04 3.22 3.38 -1.95 0.45 115.31 120.91 3lmu h LEU 91 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3lmu h LEU 91 Cb 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3lmu h LEU 91 CO 0.00 0.51 0.00 0.49 0.09 0.00 0.00 178.44 179.53 3lmu n PHE 92 N -4.69 0.00 -1.64 1.13 3.72 -0.66 -4.71 117.46 110.62 3lmu n PHE 92 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 3lmu n PHE 92 Cb 0.11 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 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 -1.26 -0.25 0.05 1.37 0.00 0.14 -4.52 107.32 102.86 3lmu s GLY 93 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 44.72 44.41 3lmu s GLY 93 CO 0.00 4.00 1.24 0.21 0.00 0.00 0.00 173.10 178.55 3lmu s ASN 94 N 11.17 7.02 -0.02 1.64 3.84 0.67 -4.79 114.94 134.46 3lmu s ASN 94 Ca 0.93 2.05 0.18 0.00 0.21 0.00 0.00 52.86 56.23 3lmu s ASN 94 Cb -0.18 -2.58 0.32 0.00 -0.55 0.00 0.00 41.25 38.27 3lmu s ASN 94 CO 0.26 -0.52 1.13 0.35 -2.79 0.00 0.00 177.10 175.53 3lmu n THR 95 N 4.04 0.27 0.05 -5.21 -2.24 -1.26 -1.82 114.28 108.11 3lmu n THR 95 Ca 0.10 -1.02 -0.11 0.00 -2.27 0.00 0.00 64.05 60.74 3lmu n THR 95 Cb 0.46 0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 69.28 3lmu n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3lmu h LYS 96 N 0.73 0.11 0.00 -0.78 1.57 -1.91 -3.45 116.57 112.85 3lmu h LYS 96 Ca -0.15 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3lmu h LYS 96 Cb 1.67 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.05 3lmu h LYS 96 CO 0.06 0.96 0.00 0.36 -0.57 0.00 0.00 179.45 180.27 3lmu n LYS 97 N -3.34 0.00 -1.25 3.15 0.00 -1.26 -4.94 118.16 110.52 3lmu n LYS 97 Ca -0.09 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.92 3lmu n LYS 97 Cb 1.00 0.00 0.20 0.00 -0.00 0.00 0.00 35.03 36.23 3lmu n LYS 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3lmu s GLY 98 N 0.00 1.59 0.00 2.58 0.00 -1.26 -4.87 107.32 105.36 3lmu s GLY 98 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 44.72 43.99 3lmu s GLY 98 CO 0.00 0.02 2.18 0.70 0.00 0.00 0.00 173.10 176.00 3lmu n ASN 99 N -4.34 4.48 -3.80 1.64 3.02 -1.26 -4.69 115.26 110.31 3lmu n ASN 99 Ca 0.10 -2.24 -0.13 0.00 -0.03 0.00 0.00 54.58 52.28 3lmu n ASN 99 Cb 0.59 -1.04 -0.12 0.00 -0.61 0.00 0.00 39.78 38.60 3lmu n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3lmu s LYS 100 N 0.65 0.20 0.00 3.52 2.20 -1.26 -5.18 119.74 119.87 3lmu s LYS 100 Ca 0.19 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 3lmu s LYS 100 Cb 0.09 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 3lmu s LYS 100 CO 0.00 -0.04 0.00 -2.30 -0.36 0.00 0.00 175.35 172.65 3lmu n PRO 101 N 3.13 0.22 -3.15 4.03 -0.02 -1.26 -4.78 135.00 133.17 3lmu n PRO 101 Ca -0.14 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.40 3lmu n PRO 101 Cb 0.58 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.04 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 -1.32 -0.02 -0.61 2.55 2.15 -0.76 -4.91 116.67 113.75 3lmu s ASP 102 Ca 0.00 0.01 0.01 0.00 0.43 0.00 0.00 52.55 53.01 3lmu s ASP 102 Cb 0.00 1.02 0.41 0.00 -0.30 0.00 0.00 42.92 44.05 3lmu s ASP 102 CO 0.00 -0.00 1.66 0.49 -0.17 0.00 0.00 175.17 177.15 3lmu n PHE 103 N 5.39 3.11 0.06 -5.34 3.72 -1.26 -0.24 117.46 122.91 3lmu n PHE 103 Ca -0.09 -2.67 -0.05 0.00 -0.05 0.00 0.00 57.45 54.58 3lmu n PHE 103 Cb 0.55 -0.83 0.14 0.00 -0.94 0.00 0.00 39.48 38.40 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 2.52 0.40 -0.01 1.38 3.86 -1.98 -2.78 115.15 118.54 3lmu h HIS 104 Ca 0.48 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 3lmu h HIS 104 Cb 0.68 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3lmu h HIS 104 CO 1.10 0.77 0.00 1.28 0.86 0.00 0.00 177.93 181.93 3lmu n LEU 105 N -3.96 0.18 -4.60 2.43 4.32 -1.26 -4.77 117.00 109.34 3lmu n LEU 105 Ca -0.02 -0.07 -0.43 0.00 -0.02 0.00 0.00 56.01 55.48 3lmu n LEU 105 Cb 0.56 -0.01 -0.04 0.00 -1.62 0.00 0.00 43.42 42.31 3lmu n LEU 105 CO 0.44 0.03 0.77 0.00 -1.22 0.00 0.00 177.39 177.42 3lmu s ALA 106 N -1.99 3.36 -0.15 -1.18 0.00 -1.05 -0.81 121.76 119.93 3lmu s ALA 106 Ca 0.39 -0.51 -0.40 0.00 0.00 0.00 0.00 51.96 51.44 3lmu s ALA 106 Cb 0.18 -3.58 -0.17 0.00 0.00 0.00 0.00 23.12 19.55 3lmu s ALA 106 CO 0.30 -1.72 1.52 1.17 0.00 0.00 0.00 175.76 177.02 3lmu n LYS 107 N 6.90 0.87 -1.86 0.00 4.81 -1.00 -4.72 118.16 123.17 3lmu n LYS 107 Ca 0.07 0.32 -0.42 0.00 -0.87 0.00 0.00 58.31 57.41 3lmu n LYS 107 Cb 0.48 -1.94 -0.03 0.00 0.02 0.00 0.00 35.03 33.56 3lmu n LYS 107 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3lmu s GLU 108 N 2.06 4.18 0.00 1.64 -1.05 -1.26 -4.41 118.70 119.85 3lmu s GLU 108 Ca 0.94 2.47 0.00 0.00 -0.15 0.00 0.00 54.97 58.22 3lmu s GLU 108 Cb -1.11 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 29.48 3lmu s GLU 108 CO 0.61 -0.62 0.33 -2.30 0.95 0.00 0.00 175.26 174.22 3lmu n PRO 109 N 3.31 0.00 -0.33 -4.83 -0.02 -1.26 -1.40 135.00 130.48 3lmu n PRO 109 Ca 0.12 0.33 0.19 0.00 -2.02 0.00 0.00 63.50 62.12 3lmu n PRO 109 Cb 0.38 -0.49 0.44 0.00 -0.02 0.00 0.00 33.50 33.81 3lmu n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3lmu h ASN 110 N 0.00 0.56 0.00 2.55 2.35 -1.99 1.10 115.58 120.14 3lmu h ASN 110 Ca 0.00 0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 3lmu h ASN 110 Cb 0.00 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3lmu h ASN 110 CO 0.00 0.14 -0.34 -0.33 -1.65 0.00 0.00 177.43 175.25 3lmu h GLU 111 N 0.51 0.23 -0.56 0.81 5.08 -1.58 -3.29 114.58 115.77 3lmu h GLU 111 Ca 0.59 -0.25 0.11 0.00 -1.00 0.00 0.00 59.36 58.81 3lmu h GLU 111 Cb 1.29 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.52 3lmu h GLU 111 CO -0.34 0.97 0.07 0.00 -1.00 0.00 0.00 179.01 178.72 3lmu h ALA 112 N 0.26 0.62 -0.69 3.43 0.00 0.41 -1.99 119.26 121.30 3lmu h ALA 112 Ca -0.04 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3lmu h ALA 112 Cb 1.09 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 3lmu h ALA 112 CO 0.07 -0.34 0.28 1.25 0.00 0.00 0.00 179.25 180.51 3lmu h LEU 113 N 0.20 0.30 0.11 0.00 5.85 0.89 0.34 115.31 123.00 3lmu h LEU 113 Ca 0.29 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 3lmu h LEU 113 Cb 0.44 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3lmu h LEU 113 CO -0.41 0.15 -0.05 0.40 -0.34 0.00 0.00 178.44 178.18 3lmu h ILE 114 N 0.47 1.08 -0.67 4.05 2.04 -1.45 -0.61 117.51 122.41 3lmu h ILE 114 Ca 0.36 -0.85 0.14 0.00 1.00 0.00 0.00 64.86 65.51 3lmu h ILE 114 Cb 0.47 1.60 -0.12 0.00 -0.74 0.00 0.00 36.82 38.03 3lmu h ILE 114 CO -0.34 0.20 -0.07 0.15 0.00 0.00 0.00 178.15 178.10 3lmu h PHE 115 N -0.56 -0.17 0.43 1.37 3.04 -1.12 0.69 116.94 120.61 3lmu h PHE 115 Ca -0.02 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 3lmu h PHE 115 Cb 0.45 0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.12 3lmu h PHE 115 CO 0.05 -0.24 -0.38 -0.92 -2.02 0.00 0.00 178.31 174.81 3lmu h TYR 116 N 0.06 -1.02 -0.74 0.41 3.20 -0.13 -0.48 116.97 118.28 3lmu h TYR 116 Ca 0.35 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.34 3lmu h TYR 116 Cb 0.57 0.39 -0.05 0.00 1.54 0.00 0.00 36.73 39.18 3lmu h TYR 116 CO -0.45 -0.53 0.49 -0.91 -1.64 0.00 0.00 178.16 175.11 3lmu h ASN 117 N -0.81 0.49 -0.53 -2.11 2.35 -0.28 0.13 115.58 114.82 3lmu h ASN 117 Ca -0.04 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3lmu h ASN 117 Cb 0.71 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 3lmu h ASN 117 CO -0.03 0.28 0.20 0.11 -1.65 0.00 0.00 177.43 176.33 3lmu h LYS 118 N 0.54 0.80 -0.00 0.81 6.56 -0.13 -1.57 116.57 123.58 3lmu h LYS 118 Ca 0.35 -0.15 0.01 0.00 -1.06 0.00 0.00 60.65 59.80 3lmu h LYS 118 Cb 0.63 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.15 3lmu h LYS 118 CO -0.12 0.71 -0.05 0.82 -2.06 0.00 0.00 179.45 178.75 3lmu h ILE 119 N 0.72 0.88 -0.99 1.86 2.04 0.82 -1.98 117.51 120.86 3lmu h ILE 119 Ca 0.17 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.12 3lmu h ILE 119 Cb 0.22 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 3lmu h ILE 119 CO -0.01 0.00 0.64 0.40 0.00 0.00 0.00 178.15 179.17 3lmu h ILE 120 N -0.08 1.02 -0.15 -0.67 1.08 -1.05 -0.07 117.51 117.59 3lmu h ILE 120 Ca 0.02 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.12 3lmu h ILE 120 Cb 0.11 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 33.69 3lmu h ILE 120 CO -0.05 0.20 0.09 0.44 -0.69 0.00 0.00 178.15 178.13 3lmu h ASP 121 N 1.08 0.18 -0.45 1.72 3.32 -0.97 -2.53 116.42 118.76 3lmu h ASP 121 Ca 0.45 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.52 3lmu h ASP 121 Cb 0.31 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 3lmu h ASP 121 CO -0.20 0.18 0.11 -0.08 -1.72 0.00 0.00 179.24 177.53 3lmu h GLU 122 N 0.16 0.25 -0.52 3.56 4.57 -0.49 -0.77 114.58 121.34 3lmu h GLU 122 Ca 0.05 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.32 3lmu h GLU 122 Cb 0.04 -0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 28.46 3lmu h GLU 122 CO -0.01 0.16 -0.25 0.74 -1.18 0.00 0.00 179.01 178.47 3lmu h PHE 123 N 0.25 -0.65 -0.66 0.92 0.04 -0.84 0.26 116.94 116.26 3lmu h PHE 123 Ca 0.22 0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.98 3lmu h PHE 123 Cb 0.27 0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 3lmu h PHE 123 CO -0.20 -0.33 0.15 0.87 -0.60 0.00 0.00 178.31 178.21 3lmu h LYS 124 N -0.13 1.07 0.59 1.51 1.57 -0.93 0.21 116.57 120.47 3lmu h LYS 124 Ca 0.24 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3lmu h LYS 124 Cb 0.50 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3lmu h LYS 124 CO -0.60 0.96 -0.46 0.87 -0.57 0.00 0.00 179.45 179.64 3lmu h LYS 125 N 0.99 -0.98 -0.73 3.15 1.57 -0.12 -2.53 116.57 117.92 3lmu h LYS 125 Ca 0.21 0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.12 3lmu h LYS 125 Cb 0.37 0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 3lmu h LYS 125 CO 0.00 -0.66 0.48 1.96 -0.57 0.00 0.00 179.45 180.67 3lmu h GLN 126 N -1.02 0.72 0.00 3.15 4.20 -0.34 -3.42 115.11 118.40 3lmu h GLN 126 Ca -0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3lmu h GLN 126 Cb 0.85 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3lmu h GLN 126 CO 0.02 0.48 0.00 0.98 -0.67 0.00 0.00 178.83 179.63 3lmu n TYR 127 N -4.48 0.00 -3.79 2.96 9.36 0.72 -5.09 117.16 116.84 3lmu n TYR 127 Ca 0.11 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.20 3lmu n TYR 127 Cb 0.24 0.00 -0.14 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 -0.03 -0.09 0.50 2.98 2.47 -0.98 -4.91 114.94 114.89 3lmu s ASN 128 Ca 0.00 0.23 0.33 0.00 0.42 0.00 0.00 52.86 53.84 3lmu s ASN 128 Cb 0.00 0.16 1.45 0.00 -1.45 0.00 0.00 41.25 41.42 3lmu s ASN 128 CO 0.00 -0.10 1.77 -0.78 -3.72 0.00 0.00 177.10 174.27 3lmu h ASP 129 N 6.76 0.12 0.25 -4.21 -0.00 -1.92 -0.40 116.42 117.01 3lmu h ASP 129 Ca -0.36 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.70 3lmu h ASP 129 Cb 1.16 0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.50 3lmu h ASP 129 CO 0.44 0.01 -0.34 -0.67 -0.00 0.00 0.00 179.24 178.68 3lmu n ASP 130 N -4.30 1.03 -0.00 2.28 2.03 -1.26 -4.03 116.55 112.30 3lmu n ASP 130 Ca 0.27 -0.85 0.09 0.00 0.52 0.00 0.00 54.79 54.82 3lmu n ASP 130 Cb 1.21 0.21 -0.13 0.00 -0.72 0.00 0.00 41.12 41.70 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 -0.76 0.78 -3.59 -0.67 4.76 -0.16 -4.90 118.16 113.61 3lmu n LYS 131 Ca 0.11 -0.10 -0.36 0.00 -2.87 0.00 0.00 58.31 55.09 3lmu n LYS 131 Cb 0.36 -1.40 -0.07 0.00 -1.84 0.00 0.00 35.03 32.07 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 -3.04 5.33 0.14 -0.18 -1.09 -1.21 -1.81 121.20 119.34 3lmu s ILE 132 Ca -0.01 0.45 0.07 0.00 -2.23 0.00 0.00 60.65 58.93 3lmu s ILE 132 Cb 0.13 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 3lmu s ILE 132 CO 0.76 0.40 -0.16 -0.54 -1.23 0.00 0.00 174.94 174.17 3lmu s LYS 133 N 0.45 1.12 0.35 2.79 -0.14 -0.70 -5.00 119.74 118.62 3lmu s LYS 133 Ca 0.14 -1.31 0.07 0.00 -1.36 0.00 0.00 55.97 53.51 3lmu s LYS 133 Cb -0.12 -1.07 -0.02 0.00 -1.68 0.00 0.00 37.83 34.94 3lmu s LYS 133 CO 0.02 0.21 0.24 0.44 -0.76 0.00 0.00 175.35 175.50 3lmu n ILE 134 N 0.43 0.00 -2.92 2.17 -5.35 -1.26 -0.29 119.36 112.14 3lmu n ILE 134 Ca -0.14 -2.38 0.00 0.00 -0.27 0.00 0.00 62.75 59.96 3lmu n ILE 134 Cb 0.57 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 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 -0.67 2.51 3.38 3.28 0.00 -1.21 -4.73 105.19 107.75 3lmu n GLY 135 Ca 0.04 -2.12 -0.44 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.80 2.95 0.15 1.61 2.20 -1.26 -5.05 119.74 119.54 3lmu s LYS 136 Ca 0.00 -1.33 -0.33 0.00 -0.36 0.00 0.00 55.97 53.95 3lmu s LYS 136 Cb 0.00 -4.09 -0.17 0.00 -1.51 0.00 0.00 37.83 32.06 3lmu s LYS 136 CO 0.00 -1.00 1.01 0.34 -0.36 0.00 0.00 175.35 175.34 3lmu n PHE 137 N 5.17 0.81 -0.43 4.03 7.35 -1.26 -1.81 117.46 131.33 3lmu n PHE 137 Ca -0.12 0.82 0.00 0.00 -0.76 0.00 0.00 57.45 57.38 3lmu n PHE 137 Cb 0.44 -2.18 0.00 0.00 0.35 0.00 0.00 39.48 38.09 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 1.87 0.34 3.90 7.13 0.00 -1.26 -4.96 105.19 112.20 3lmu n GLY 138 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.27 6.45 -0.03 1.61 -0.87 -0.75 -5.04 114.94 114.04 3lmu s ASN 139 Ca 0.00 0.82 -0.30 0.00 -1.57 0.00 0.00 52.86 51.81 3lmu s ASN 139 Cb 0.00 -2.19 -0.05 0.00 -0.02 0.00 0.00 41.25 38.99 3lmu s ASN 139 CO 0.00 -0.27 1.34 -0.47 -2.57 0.00 0.00 177.10 175.13 3lmu s TYR 140 N -2.20 2.91 0.34 2.20 5.04 -1.26 -4.91 117.35 119.47 3lmu s TYR 140 Ca 0.46 0.92 0.09 0.00 -2.44 0.00 0.00 57.07 56.10 3lmu s TYR 140 Cb -0.11 -3.59 -0.06 0.00 0.35 0.00 0.00 41.96 38.56 3lmu s TYR 140 CO 0.31 -2.12 -0.01 -1.64 -1.34 0.00 0.00 175.55 170.76 3lmu s MET 141 N 2.50 2.03 -0.17 4.97 -1.94 -1.26 -2.51 119.30 122.91 3lmu s MET 141 Ca 0.61 -1.78 -0.03 0.00 -1.71 0.00 0.00 55.69 52.78 3lmu s MET 141 Cb -0.29 -1.89 0.06 0.00 2.01 0.00 0.00 34.83 34.72 3lmu s MET 141 CO 0.24 0.14 0.04 1.21 -0.01 0.00 0.00 175.02 176.64 3lmu s ASN 142 N -3.70 2.65 -0.20 3.03 2.47 -0.32 -4.97 114.94 113.91 3lmu s ASN 142 Ca 0.34 -0.70 -0.03 0.00 0.42 0.00 0.00 52.86 52.90 3lmu s ASN 142 Cb 0.00 -0.52 -0.01 0.00 -1.45 0.00 0.00 41.25 39.27 3lmu s ASN 142 CO 0.19 -0.30 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.56 3lmu s ILE 143 N 1.91 3.17 -0.55 -5.21 1.01 -1.26 -1.40 121.20 118.88 3lmu s ILE 143 Ca 0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 3lmu s ILE 143 Cb -0.16 -2.41 0.11 0.00 0.01 0.00 0.00 42.46 40.01 3lmu s ILE 143 CO -0.08 0.46 0.55 -1.81 0.00 0.00 0.00 174.94 174.07 3lmu s ASP 144 N 1.20 6.18 -0.14 3.58 1.01 -1.01 -4.91 116.67 122.57 3lmu s ASP 144 Ca 0.02 -1.59 -0.07 0.00 0.71 0.00 0.00 52.55 51.62 3lmu s ASP 144 Cb -0.14 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 3lmu s ASP 144 CO -0.03 -0.91 0.11 -0.69 0.21 0.00 0.00 175.17 173.87 3lmu s VAL 145 N 1.98 5.27 -0.56 -1.27 1.01 -1.26 -1.16 120.40 124.41 3lmu s VAL 145 Ca 0.06 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 3lmu s VAL 145 Cb -0.27 -3.33 0.15 0.00 0.00 0.00 0.00 36.38 32.93 3lmu s VAL 145 CO 0.05 0.55 0.40 -0.89 0.00 0.00 0.00 175.10 175.21 3lmu s THR 146 N -0.48 4.02 0.12 3.92 2.01 -0.32 -5.01 115.64 119.90 3lmu s THR 146 Ca 0.12 -2.35 -0.31 0.00 0.31 0.00 0.00 61.69 59.45 3lmu s THR 146 Cb -0.12 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.68 3lmu s THR 146 CO 0.02 -0.83 1.38 0.20 -0.69 0.00 0.00 174.62 174.70 3lmu s ASN 147 N 1.72 6.84 -0.86 3.53 0.01 -1.26 -0.27 114.94 124.64 3lmu s ASN 147 Ca 0.12 2.33 -0.06 0.00 -0.71 0.00 0.00 52.86 54.54 3lmu s ASN 147 Cb -0.21 -2.59 0.22 0.00 0.41 0.00 0.00 41.25 39.07 3lmu s ASN 147 CO -0.03 -0.64 0.76 -0.62 -1.51 0.00 0.00 177.10 175.06 3lmu s ASP 148 N 1.02 6.20 0.00 -1.22 2.15 0.08 -4.74 116.67 120.16 3lmu s ASP 148 Ca 0.64 -3.32 0.00 0.00 0.43 0.00 0.00 52.55 50.29 3lmu s ASP 148 Cb -0.37 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 3lmu s ASP 148 CO 0.31 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 3lmu n GLY 149 N 2.95 -0.50 3.89 2.66 0.00 -1.26 -3.94 105.19 108.98 3lmu n GLY 149 Ca 0.17 0.21 -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 2.16 -0.18 1.61 0.02 -1.26 -5.16 135.00 132.18 3lmu s PRO 150 Ca 0.00 0.21 -0.01 0.00 0.02 0.00 0.00 61.00 61.21 3lmu s PRO 150 Cb 0.00 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.61 3lmu s PRO 150 CO 0.00 -1.48 -0.01 0.08 -0.33 0.00 0.00 177.00 175.26 3lmu s VAL 151 N -3.51 0.87 -0.14 3.83 1.01 -1.25 -5.03 120.40 116.17 3lmu s VAL 151 Ca 0.61 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3lmu s VAL 151 Cb -0.11 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 3lmu s VAL 151 CO 0.50 -0.06 -0.17 -0.89 0.00 0.00 0.00 175.10 174.48 3lmu s THR 152 N 1.71 2.52 -0.07 3.92 2.01 -1.26 -2.11 115.64 122.36 3lmu s THR 152 Ca -0.01 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.21 3lmu s THR 152 Cb -0.17 -2.04 -0.00 0.00 0.01 0.00 0.00 72.50 70.30 3lmu s THR 152 CO -0.07 0.53 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.54 3lmu s ILE 153 N 0.71 1.82 -0.07 1.82 -1.09 -0.03 -4.94 121.20 119.44 3lmu s ILE 153 Ca -0.08 -0.91 0.04 0.00 -2.23 0.00 0.00 60.65 57.47 3lmu s ILE 153 Cb -0.16 -1.57 -0.02 0.00 -1.58 0.00 0.00 42.46 39.13 3lmu s ILE 153 CO 0.01 0.51 -0.19 -0.47 -1.23 0.00 0.00 174.94 173.57 3lmu s TYR 154 N 0.18 2.60 -0.02 3.97 5.04 -1.26 0.05 117.35 127.91 3lmu s TYR 154 Ca -0.11 -0.50 0.01 0.00 -2.44 0.00 0.00 57.07 54.03 3lmu s TYR 154 Cb -0.15 -1.65 0.01 0.00 0.35 0.00 0.00 41.96 40.52 3lmu s TYR 154 CO 0.05 -0.07 -0.03 0.42 -1.34 0.00 0.00 175.55 174.58 3lmu s ILE 155 N -0.28 0.35 -0.23 3.14 1.01 -0.54 -4.99 121.20 119.65 3lmu s ILE 155 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3lmu s ILE 155 Cb -0.13 -0.35 0.06 0.00 0.01 0.00 0.00 42.46 42.05 3lmu s ILE 155 CO 0.03 0.14 -0.04 -0.62 0.00 0.00 0.00 174.94 174.45 3lmu s ASP 156 N 0.40 3.68 0.00 3.58 -1.08 -1.26 -1.17 116.67 120.81 3lmu s ASP 156 Ca -0.04 -1.11 0.15 0.00 -0.52 0.00 0.00 52.55 51.03 3lmu s ASP 156 Cb -0.08 -1.07 0.91 0.00 -1.46 0.00 0.00 42.92 41.23 3lmu s ASP 156 CO -0.00 -0.25 1.56 0.35 0.52 0.00 0.00 175.17 177.35 3lmu n THR 157 N 4.74 0.00 -1.06 1.71 -2.24 -0.39 -2.10 114.28 114.95 3lmu n THR 157 Ca -0.11 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 3lmu n THR 157 Cb 0.45 -0.26 0.07 0.00 -2.10 0.00 0.00 70.33 68.48 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 -0.75 2.45 -0.17 4.78 8.25 -1.26 -4.80 115.22 123.72 3lmu n HIS 158 Ca 0.11 -2.39 0.00 0.00 -0.26 0.00 0.00 57.72 55.18 3lmu n HIS 158 Cb 0.05 -1.16 0.00 0.00 1.12 0.00 0.00 29.99 30.00 3lmu n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73