#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 2.84 0.03 3.17 0.52 0.40 -1.99 118.95 123.92 3lmu s ARG 2 Ca 0.00 -0.50 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 3lmu s ARG 2 Cb 0.00 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 3lmu s ARG 2 CO 0.00 0.68 -0.19 0.54 0.02 0.00 0.00 175.30 176.35 3lmu s VAL 3 N -0.83 1.50 -0.24 3.52 0.11 -0.82 0.23 120.40 123.87 3lmu s VAL 3 Ca 0.13 -1.05 -0.00 0.00 -2.93 0.00 0.00 61.98 58.12 3lmu s VAL 3 Cb -0.11 -1.30 0.03 0.00 -1.53 0.00 0.00 36.38 33.47 3lmu s VAL 3 CO 0.02 0.22 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.22 3lmu s VAL 4 N -0.71 2.59 -0.18 2.04 1.01 -0.66 -2.19 120.40 122.31 3lmu s VAL 4 Ca 0.06 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 60.85 3lmu s VAL 4 Cb -0.08 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 3lmu s VAL 4 CO 0.01 0.24 0.13 -0.63 0.00 0.00 0.00 175.10 174.84 3lmu s ILE 5 N 1.28 5.38 -0.16 2.22 1.01 0.34 -2.53 121.20 128.75 3lmu s ILE 5 Ca -0.00 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.83 3lmu s ILE 5 Cb -0.16 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.88 3lmu s ILE 5 CO -0.06 0.48 -0.16 -1.10 0.00 0.00 0.00 174.94 174.10 3lmu s GLN 6 N 0.03 3.17 -0.09 2.79 -1.52 -0.62 -0.09 119.66 123.33 3lmu s GLN 6 Ca 0.09 -0.77 -0.30 0.00 -1.95 0.00 0.00 55.36 52.44 3lmu s GLN 6 Cb -0.11 -2.60 -0.03 0.00 -0.22 0.00 0.00 33.01 30.05 3lmu s GLN 6 CO -0.00 -0.01 1.34 0.50 -0.25 0.00 0.00 175.29 176.87 3lmu s ARG 7 N 0.86 4.26 0.18 2.91 3.52 0.42 -1.44 118.95 129.66 3lmu s ARG 7 Ca -0.05 1.81 0.06 0.00 -0.13 0.00 0.00 55.73 57.43 3lmu s ARG 7 Cb -0.15 -3.71 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 3lmu s ARG 7 CO -0.01 -0.64 -0.13 0.14 -0.81 0.00 0.00 175.30 173.85 3lmu s VAL 8 N 3.03 1.48 -0.12 7.11 -7.23 -0.46 -1.63 120.40 122.57 3lmu s VAL 8 Ca 0.60 -2.12 0.22 0.00 -1.81 0.00 0.00 61.98 58.87 3lmu s VAL 8 Cb -0.26 -1.93 -0.19 0.00 0.56 0.00 0.00 36.38 34.56 3lmu s VAL 8 CO 0.21 -0.64 0.70 0.29 -0.31 0.00 0.00 175.10 175.35 3lmu n LYS 9 N -0.24 0.64 -3.65 4.82 4.76 0.69 -2.31 118.16 122.87 3lmu n LYS 9 Ca -0.09 -0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.29 3lmu n LYS 9 Cb 0.60 -1.66 -0.05 0.00 -1.84 0.00 0.00 35.03 32.08 3lmu n LYS 9 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3lmu s GLY 10 N -4.53 0.21 -0.03 0.72 0.00 -1.17 -1.20 107.32 101.33 3lmu s GLY 10 Ca -0.05 3.14 -0.01 0.00 0.00 0.00 0.00 44.72 47.80 3lmu s GLY 10 CO 0.85 1.41 0.05 0.00 0.00 0.00 0.00 173.10 175.41 3lmu s ALA 11 N -0.65 0.00 -0.15 3.20 0.00 0.50 -0.25 121.76 124.42 3lmu s ALA 11 Ca 0.09 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.41 3lmu s ALA 11 Cb -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3lmu s ALA 11 CO -0.11 -0.11 -0.19 0.42 0.00 0.00 0.00 175.76 175.77 3lmu s ILE 12 N 0.96 2.28 -0.13 0.00 1.01 0.74 -2.09 121.20 123.97 3lmu s ILE 12 Ca -0.08 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 3lmu s ILE 12 Cb -0.11 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3lmu s ILE 12 CO -0.03 0.54 -0.03 -0.22 0.00 0.00 0.00 174.94 175.20 3lmu s LEU 13 N 0.88 3.34 0.19 2.97 0.20 0.64 0.70 118.68 127.59 3lmu s LEU 13 Ca -0.05 -0.05 -0.05 0.00 0.69 0.00 0.00 54.13 54.67 3lmu s LEU 13 Cb -0.15 -1.79 -0.03 0.00 -0.43 0.00 0.00 46.19 43.79 3lmu s LEU 13 CO -0.03 0.23 0.22 -0.44 -0.29 0.00 0.00 176.35 176.05 3lmu s SER 14 N -0.03 0.10 0.00 3.68 0.01 -1.17 -0.27 113.70 116.03 3lmu s SER 14 Ca 0.02 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.12 3lmu s SER 14 Cb -0.13 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.52 3lmu s SER 14 CO 0.02 -0.90 0.29 1.33 0.41 0.00 0.00 173.24 174.39 3lmu n VAL 15 N -0.26 0.00 -4.05 3.43 0.24 -1.26 -1.01 118.33 115.42 3lmu n VAL 15 Ca -0.02 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.93 3lmu n VAL 15 Cb 0.64 1.01 -0.12 0.00 -1.47 0.00 0.00 33.84 33.89 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 0.00 3.29 -0.02 1.34 0.20 -1.26 -4.92 118.68 117.32 3lmu s LEU 27 Ca 0.00 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.66 3lmu s LEU 27 Cb 0.00 -1.84 -0.00 0.00 -0.43 0.00 0.00 46.19 43.92 3lmu s LEU 27 CO 0.00 0.06 -0.09 -0.70 -0.29 0.00 0.00 176.35 175.33 3lmu s GLU 28 N 1.00 0.84 0.07 1.98 2.12 -1.26 -5.13 118.70 118.32 3lmu s GLU 28 Ca 0.02 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 3lmu s GLU 28 Cb -0.14 -0.80 -0.05 0.00 0.26 0.00 0.00 34.13 33.40 3lmu s GLU 28 CO 0.02 0.16 1.01 0.42 -0.54 0.00 0.00 175.26 176.33 3lmu s ILE 29 N -0.04 4.52 0.00 -3.70 1.01 -1.26 -4.28 121.20 117.45 3lmu s ILE 29 Ca 0.01 1.96 0.00 0.00 0.00 0.00 0.00 60.65 62.62 3lmu s ILE 29 Cb -0.06 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.16 3lmu s ILE 29 CO -0.00 0.24 0.38 2.30 0.00 0.00 0.00 174.94 177.86 3lmu n ILE 30 N 3.25 0.00 -3.64 2.92 -5.35 0.63 -4.96 119.36 112.22 3lmu n ILE 30 Ca 0.04 -0.46 -0.04 0.00 -0.27 0.00 0.00 62.75 62.02 3lmu n ILE 30 Cb 0.49 1.06 -0.06 0.00 -1.74 0.00 0.00 39.64 39.39 3lmu n ILE 30 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3lmu s SER 31 N -0.16 -0.11 -0.14 7.28 1.04 -1.14 -4.97 113.70 115.50 3lmu s SER 31 Ca 0.00 0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.58 3lmu s SER 31 Cb 0.00 0.19 0.07 0.00 0.10 0.00 0.00 66.02 66.38 3lmu s SER 31 CO 0.00 -0.06 0.27 -0.70 0.98 0.00 0.00 173.24 173.74 3lmu s GLU 32 N -0.25 0.16 0.19 4.02 2.12 -1.26 -0.26 118.70 123.42 3lmu s GLU 32 Ca 0.07 0.77 0.08 0.00 0.36 0.00 0.00 54.97 56.24 3lmu s GLU 32 Cb -0.04 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.29 3lmu s GLU 32 CO -0.12 -0.29 -0.00 0.96 -0.54 0.00 0.00 175.26 175.27 3lmu s ILE 33 N 2.44 3.66 0.00 -3.70 -4.36 -0.89 -4.98 121.20 113.36 3lmu s ILE 33 Ca 0.01 -1.53 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 3lmu s ILE 33 Cb -0.12 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.72 3lmu s ILE 33 CO -0.09 -0.17 0.00 2.29 0.24 0.00 0.00 174.94 177.22 3lmu n LYS 34 N -0.28 0.00 -1.67 0.37 -0.00 -1.26 -0.37 118.16 114.94 3lmu n LYS 34 Ca -0.09 0.00 -0.46 0.00 -0.00 0.00 0.00 58.31 57.76 3lmu n LYS 34 Cb 0.56 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.55 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 3.19 0.00 -5.58 3.02 -0.34 -3.02 115.26 112.54 3lmu n ASN 35 Ca 0.00 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 3lmu n ASN 35 Cb 0.00 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.73 3lmu n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lmu n GLY 36 N 3.48 -0.40 3.39 7.41 0.00 -0.98 -1.98 105.19 116.11 3lmu n GLY 36 Ca 0.17 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 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 2.65 -0.22 0.99 1.43 -0.88 -1.36 118.68 121.29 3lmu s LEU 37 Ca 0.00 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 3lmu s LEU 37 Cb 0.00 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 3lmu s LEU 37 CO 0.00 0.23 0.14 -0.51 0.23 0.00 0.00 176.35 176.44 3lmu s ILE 38 N -0.02 5.30 -0.22 -0.59 2.07 -0.52 -0.83 121.20 126.40 3lmu s ILE 38 Ca -0.04 0.16 0.02 0.00 -1.41 0.00 0.00 60.65 59.37 3lmu s ILE 38 Cb -0.14 -3.45 0.04 0.00 0.13 0.00 0.00 42.46 39.04 3lmu s ILE 38 CO 0.04 0.39 -0.14 0.00 -1.91 0.00 0.00 174.94 173.31 3lmu s PHE 40 N 1.24 3.08 -0.20 0.00 0.08 -1.05 0.14 117.98 121.26 3lmu s PHE 40 Ca -0.02 0.31 -0.08 0.00 0.12 0.00 0.00 56.93 57.26 3lmu s PHE 40 Cb -0.16 -3.40 -0.04 0.00 -0.57 0.00 0.00 43.02 38.84 3lmu s PHE 40 CO -0.09 -0.80 0.09 -1.17 -0.10 0.00 0.00 175.22 173.15 3lmu s LEU 41 N 3.02 3.85 -0.44 -0.37 2.96 0.40 -1.65 118.68 126.45 3lmu s LEU 41 Ca 0.28 0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 54.18 3lmu s LEU 41 Cb -0.13 -2.00 0.11 0.00 0.50 0.00 0.00 46.19 44.67 3lmu s LEU 41 CO 0.18 0.12 0.28 -0.83 -1.32 0.00 0.00 176.35 174.79 3lmu s GLY 42 N 0.68 2.01 0.25 7.98 0.00 0.63 1.00 107.32 119.86 3lmu s GLY 42 Ca 0.05 -2.47 -0.30 0.00 0.00 0.00 0.00 44.72 42.00 3lmu s GLY 42 CO 0.02 1.05 0.97 -0.42 0.00 0.00 0.00 173.10 174.72 3lmu s ILE 43 N 1.30 3.97 -0.08 0.90 -1.09 -1.26 -0.46 121.20 124.49 3lmu s ILE 43 Ca 0.06 1.99 0.04 0.00 -2.23 0.00 0.00 60.65 60.51 3lmu s ILE 43 Cb -0.25 -4.27 -0.01 0.00 -1.58 0.00 0.00 42.46 36.36 3lmu s ILE 43 CO -0.01 0.48 -0.21 -2.28 -1.23 0.00 0.00 174.94 171.68 3lmu s HIS 44 N -1.17 2.56 0.11 3.97 5.04 -1.26 -3.09 115.29 121.45 3lmu s HIS 44 Ca 0.42 -0.72 -0.05 0.00 -1.54 0.00 0.00 55.06 53.16 3lmu s HIS 44 Cb -0.27 -1.67 0.15 0.00 0.04 0.00 0.00 32.58 30.82 3lmu s HIS 44 CO 0.33 -0.22 0.65 0.36 -2.34 0.00 0.00 174.74 173.53 3lmu n LYS 45 N 3.11 -0.07 -0.24 2.88 0.00 -0.73 0.17 118.16 123.29 3lmu n LYS 45 Ca -0.18 0.65 0.04 0.00 -0.00 0.00 0.00 58.31 58.82 3lmu n LYS 45 Cb 0.52 -0.97 0.15 0.00 -0.00 0.00 0.00 35.03 34.73 3lmu n LYS 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3lmu n ASN 46 N -4.65 2.14 -4.74 -5.58 3.02 -1.26 -4.91 115.26 99.28 3lmu n ASN 46 Ca 0.05 -2.15 -0.42 0.00 -0.03 0.00 0.00 54.58 52.04 3lmu n ASN 46 Cb 0.19 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 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 -0.73 6.52 0.32 6.41 1.01 0.46 -5.02 116.67 125.63 3lmu s ASP 47 Ca 0.21 2.77 0.07 0.00 0.71 0.00 0.00 52.55 56.30 3lmu s ASP 47 Cb 0.13 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 3lmu s ASP 47 CO 0.11 -0.83 0.39 0.28 0.21 0.00 0.00 175.17 175.33 3lmu s THR 48 N 0.43 4.13 -0.44 -1.27 -1.32 -1.26 -5.00 115.64 110.91 3lmu s THR 48 Ca 0.65 -1.12 0.26 0.00 -1.21 0.00 0.00 61.69 60.27 3lmu s THR 48 Cb -0.45 -3.42 0.29 0.00 -1.51 0.00 0.00 72.50 67.41 3lmu s THR 48 CO 0.40 -0.20 1.77 -0.25 -2.21 0.00 0.00 174.62 174.13 3lmu h TRP 49 N 1.07 0.00 0.03 9.09 2.91 -2.01 -2.46 115.95 124.57 3lmu h TRP 49 Ca -0.47 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.55 3lmu h TRP 49 Cb 1.25 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.90 3lmu h TRP 49 CO 0.46 0.00 -0.02 0.93 -1.03 0.00 0.00 178.44 178.78 3lmu h GLU 50 N 0.00 -0.05 -0.77 2.65 4.39 -2.01 -2.96 114.58 115.83 3lmu h GLU 50 Ca 0.00 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.88 3lmu h GLU 50 Cb 0.53 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.06 3lmu h GLU 50 CO 0.00 -0.04 0.12 -0.44 -1.16 0.00 0.00 179.01 177.50 3lmu h ASP 51 N -0.06 -0.13 0.37 1.42 3.32 -1.85 -2.83 116.42 116.66 3lmu h ASP 51 Ca -0.00 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3lmu h ASP 51 Cb 0.05 0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3lmu h ASP 51 CO -0.00 -0.12 -0.18 0.00 -1.72 0.00 0.00 179.24 177.22 3lmu h ALA 52 N 1.68 -0.50 -0.38 3.45 0.00 -1.57 -2.31 119.26 119.63 3lmu h ALA 52 Ca 0.44 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.33 3lmu h ALA 52 Cb 0.80 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3lmu h ALA 52 CO -0.60 -0.74 0.45 -0.07 0.00 0.00 0.00 179.25 178.29 3lmu h LEU 53 N -0.57 0.00 -0.00 0.00 3.38 -1.34 0.32 115.31 117.10 3lmu h LEU 53 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3lmu h LEU 53 Cb 0.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.18 3lmu h LEU 53 CO 0.08 0.00 -0.25 0.22 0.09 0.00 0.00 178.44 178.58 3lmu h TYR 54 N 0.00 0.25 0.62 1.13 3.20 -1.29 0.11 116.97 120.99 3lmu h TYR 54 Ca 0.18 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3lmu h TYR 54 Cb 1.08 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3lmu h TYR 54 CO 0.00 0.94 -0.47 0.82 -1.64 0.00 0.00 178.16 177.81 3lmu h ILE 55 N -0.50 0.00 -0.96 1.81 1.08 -0.34 0.24 117.51 118.83 3lmu h ILE 55 Ca -0.03 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.63 3lmu h ILE 55 Cb 1.01 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.67 3lmu h ILE 55 CO 0.05 0.00 0.61 0.40 -0.69 0.00 0.00 178.15 178.52 3lmu h ILE 56 N -1.05 0.72 0.33 -0.67 2.04 -0.56 0.22 117.51 118.54 3lmu h ILE 56 Ca -0.08 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3lmu h ILE 56 Cb 0.87 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3lmu h ILE 56 CO 0.02 0.12 -0.16 0.03 0.00 0.00 0.00 178.15 178.16 3lmu h ARG 57 N 0.64 -0.43 0.68 2.37 2.47 -0.53 -2.46 114.38 117.12 3lmu h ARG 57 Ca 0.52 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 59.24 3lmu h ARG 57 Cb 0.96 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 3lmu h ARG 57 CO -0.28 -0.12 -0.34 0.87 0.56 0.00 0.00 179.97 180.67 3lmu h LYS 58 N -0.76 -0.90 -0.88 0.04 1.79 0.49 -1.99 116.57 114.35 3lmu h LYS 58 Ca -0.05 0.06 0.08 0.00 -2.18 0.00 0.00 60.65 58.57 3lmu h LYS 58 Cb 0.51 0.21 -0.11 0.00 -1.58 0.00 0.00 32.23 31.26 3lmu h LYS 58 CO 0.07 -0.60 -0.52 0.00 -1.08 0.00 0.00 179.45 177.32 3lmu n LEU 60 N -5.09 0.39 0.00 0.00 4.77 -0.93 -3.96 117.00 112.19 3lmu n LEU 60 Ca 0.02 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3lmu n LEU 60 Cb 0.23 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3lmu n LEU 60 CO -0.14 -0.33 -0.16 0.59 -1.33 0.00 0.00 177.39 176.02 3lmu n ASN 61 N -1.91 1.59 -4.71 -1.43 3.02 -0.76 -4.01 115.26 107.05 3lmu n ASN 61 Ca 0.04 -0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 53.98 3lmu n ASN 61 Cb 0.26 0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 40.09 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 -1.71 4.37 -0.86 3.41 1.43 0.45 -4.63 118.68 121.14 3lmu s LEU 62 Ca 0.00 2.80 -0.22 0.00 -1.03 0.00 0.00 54.13 55.68 3lmu s LEU 62 Cb 0.00 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.71 3lmu s LEU 62 CO 0.00 -0.95 1.19 -0.13 0.23 0.00 0.00 176.35 176.69 3lmu s ARG 63 N 1.47 3.42 -0.01 1.70 0.52 -1.26 -3.97 118.95 120.82 3lmu s ARG 63 Ca 0.75 -1.16 0.14 0.00 -0.52 0.00 0.00 55.73 54.94 3lmu s ARG 63 Cb -0.48 -4.77 -0.18 0.00 0.52 0.00 0.00 34.95 30.04 3lmu s ARG 63 CO 0.33 -1.95 0.45 1.28 0.02 0.00 0.00 175.30 175.42 3lmu n LEU 64 N 7.85 0.33 -4.70 2.53 4.77 -0.22 -4.16 117.00 123.40 3lmu n LEU 64 Ca 0.17 -0.26 -0.35 0.00 -0.03 0.00 0.00 56.01 55.54 3lmu n LEU 64 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 3lmu n LEU 64 CO 0.61 0.08 -0.20 0.26 -1.33 0.00 0.00 177.39 176.81 3lmu s TRP 65 N -2.61 3.36 0.96 -1.77 0.51 -0.49 -4.65 118.94 114.26 3lmu s TRP 65 Ca 0.00 0.25 -0.12 0.00 -2.12 0.00 0.00 56.10 54.12 3lmu s TRP 65 Cb 0.10 -2.14 0.12 0.00 -0.81 0.00 0.00 33.47 30.73 3lmu s TRP 65 CO 0.57 0.24 0.83 0.27 -0.51 0.00 0.00 176.95 178.35 3lmu n ASN 66 N 3.56 -0.80 -3.82 2.95 0.23 -1.26 -1.56 115.26 114.56 3lmu n ASN 66 Ca -0.16 0.32 -0.30 0.00 -0.53 0.00 0.00 54.58 53.91 3lmu n ASN 66 Cb 0.52 -1.34 -0.15 0.00 -2.08 0.00 0.00 39.78 36.72 3lmu n ASN 66 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3lmu s ASN 67 N -2.37 4.01 1.21 0.53 3.04 0.80 -4.66 114.94 117.50 3lmu s ASN 67 Ca 0.63 -1.57 0.00 0.00 0.04 0.00 0.00 52.86 51.97 3lmu s ASN 67 Cb -0.22 -1.02 0.00 0.00 -1.54 0.00 0.00 41.25 38.47 3lmu s ASN 67 CO 0.62 -0.37 0.00 0.47 -3.04 0.00 0.00 177.10 174.78 3lmu n ASP 68 N 4.74 0.00 -0.06 -4.21 10.43 -1.26 -1.29 116.55 124.90 3lmu n ASP 68 Ca -0.03 0.00 -0.03 0.00 2.57 0.00 0.00 54.79 57.29 3lmu n ASP 68 Cb 0.43 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.36 3lmu n ASP 68 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 177.20 175.00 3lmu h ASN 69 N 0.00 0.00 -3.00 -2.24 -0.73 -2.04 -3.47 115.58 104.10 3lmu h ASN 69 Ca 0.00 -0.22 -0.53 0.00 1.87 0.00 0.00 56.30 57.42 3lmu h ASN 69 Cb 0.00 0.00 0.07 0.00 0.27 0.00 0.00 38.32 38.66 3lmu h ASN 69 CO 0.00 0.62 0.94 0.29 -0.37 0.00 0.00 177.43 178.91 3lmu n LYS 70 N -4.74 2.73 -2.48 6.67 4.76 -0.41 -5.01 118.16 119.69 3lmu n LYS 70 Ca -0.03 0.98 -0.24 0.00 -2.87 0.00 0.00 58.31 56.15 3lmu n LYS 70 Cb 0.12 -2.79 0.10 0.00 -1.84 0.00 0.00 35.03 30.62 3lmu n LYS 70 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3lmu s THR 71 N 0.50 2.20 -1.06 -0.18 -4.23 -1.26 0.28 115.64 111.89 3lmu s THR 71 Ca 0.69 -0.50 -0.10 0.00 -1.18 0.00 0.00 61.69 60.60 3lmu s THR 71 Cb -0.50 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 70.65 3lmu s THR 71 CO 0.41 0.00 0.18 0.79 -0.54 0.00 0.00 174.62 175.47 3lmu n TRP 72 N -2.88 -0.96 -0.05 3.99 7.02 -1.26 -4.67 117.44 118.63 3lmu n TRP 72 Ca 0.13 0.30 -0.06 0.00 -1.02 0.00 0.00 57.50 56.85 3lmu n TRP 72 Cb 0.60 -2.06 -0.07 0.00 -2.42 0.00 0.00 31.31 27.36 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 -1.80 2.69 -4.27 -0.99 2.03 -0.83 -4.77 116.55 108.62 3lmu n ASP 73 Ca -0.19 -0.02 -0.27 0.00 0.52 0.00 0.00 54.79 54.83 3lmu n ASP 73 Cb 0.48 0.46 -0.15 0.00 -0.72 0.00 0.00 41.12 41.19 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 -2.24 1.58 0.51 -0.67 -0.14 -0.60 -4.90 119.74 113.28 3lmu s LYS 74 Ca -0.09 -0.94 0.07 0.00 -1.36 0.00 0.00 55.97 53.66 3lmu s LYS 74 Cb 0.03 -1.66 0.05 0.00 -1.68 0.00 0.00 37.83 34.57 3lmu s LYS 74 CO 0.37 0.43 0.71 0.54 -0.76 0.00 0.00 175.35 176.64 3lmu s ASN 75 N -1.01 5.31 0.25 2.83 2.20 -1.25 -1.05 114.94 122.20 3lmu s ASN 75 Ca 0.09 -0.53 -0.04 0.00 -0.94 0.00 0.00 52.86 51.43 3lmu s ASN 75 Cb -0.09 -0.27 0.39 0.00 -2.00 0.00 0.00 41.25 39.28 3lmu s ASN 75 CO 0.01 -1.10 1.82 1.62 -2.94 0.00 0.00 177.10 176.51 3lmu h VAL 76 N 0.32 0.94 0.03 3.54 3.04 -1.75 -1.79 116.25 120.58 3lmu h VAL 76 Ca -0.36 -0.29 0.01 0.00 -1.01 0.00 0.00 66.70 65.05 3lmu h VAL 76 Cb 1.28 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 3lmu h VAL 76 CO 0.44 0.15 -0.06 0.11 -1.01 0.00 0.00 177.57 177.20 3lmu h LYS 77 N 0.85 -0.12 -0.81 4.17 1.57 -1.83 -1.01 116.57 119.39 3lmu h LYS 77 Ca 0.40 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.31 3lmu h LYS 77 Cb 0.32 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.53 3lmu h LYS 77 CO -0.23 -0.08 -0.31 -0.25 -0.57 0.00 0.00 179.45 178.01 3lmu n ASP 78 N -5.17 -0.52 -0.82 0.86 9.92 -0.68 0.14 116.55 120.28 3lmu n ASP 78 Ca -0.07 1.41 0.08 0.00 -0.53 0.00 0.00 54.79 55.68 3lmu n ASP 78 Cb 0.10 -0.32 0.22 0.00 -0.64 0.00 0.00 41.12 40.48 3lmu n ASP 78 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3lmu n LEU 79 N -5.19 2.37 -3.16 0.64 4.77 -1.13 -4.92 117.00 110.38 3lmu n LEU 79 Ca 0.08 -1.16 -0.23 0.00 -0.03 0.00 0.00 56.01 54.67 3lmu n LEU 79 Cb 0.32 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3lmu n LEU 79 CO -0.11 0.58 0.01 -3.20 -1.33 0.00 0.00 177.39 173.34 3lmu n ASN 80 N 0.79 -5.53 -4.90 -1.43 5.15 0.36 -4.97 115.26 104.74 3lmu n ASN 80 Ca 0.15 -0.34 -0.28 0.00 -0.60 0.00 0.00 54.58 53.51 3lmu n ASN 80 Cb 0.38 -4.47 -0.00 0.00 -0.53 0.00 0.00 39.78 35.16 3lmu n ASN 80 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3lmu s TYR 81 N -3.13 3.57 0.79 1.20 2.02 -0.44 -5.02 117.35 116.35 3lmu s TYR 81 Ca 0.35 0.93 -0.08 0.00 -0.37 0.00 0.00 57.07 57.91 3lmu s TYR 81 Cb -0.17 -2.40 0.13 0.00 -0.40 0.00 0.00 41.96 39.12 3lmu s TYR 81 CO 0.44 -0.36 1.11 -1.21 -1.57 0.00 0.00 175.55 173.95 3lmu s GLU 82 N -4.79 1.53 0.03 -0.62 2.02 -0.84 -4.66 118.70 111.37 3lmu s GLU 82 Ca 0.49 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 54.94 3lmu s GLU 82 Cb -0.10 -2.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 3lmu s GLU 82 CO 0.46 -1.68 -0.12 -0.51 0.02 0.00 0.00 175.26 173.43 3lmu s LEU 83 N -5.42 2.16 -0.21 1.80 1.02 0.90 -2.07 118.68 116.87 3lmu s LEU 83 Ca 0.67 -0.43 0.01 0.00 0.02 0.00 0.00 54.13 54.39 3lmu s LEU 83 Cb -0.07 -0.52 0.03 0.00 0.02 0.00 0.00 46.19 45.65 3lmu s LEU 83 CO 0.47 0.01 -0.15 -0.22 0.02 0.00 0.00 176.35 176.48 3lmu s LEU 84 N -1.08 2.61 -0.11 1.79 2.96 -0.01 -1.46 118.68 123.37 3lmu s LEU 84 Ca 0.00 -0.85 -0.11 0.00 -0.22 0.00 0.00 54.13 52.95 3lmu s LEU 84 Cb -0.08 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 3lmu s LEU 84 CO 0.01 -0.06 0.25 -0.63 -1.32 0.00 0.00 176.35 174.60 3lmu s ILE 85 N 1.26 5.32 -0.10 6.68 -1.09 -0.59 -0.61 121.20 132.06 3lmu s ILE 85 Ca 0.01 0.46 -0.03 0.00 -2.23 0.00 0.00 60.65 58.86 3lmu s ILE 85 Cb -0.15 -3.56 0.04 0.00 -1.58 0.00 0.00 42.46 37.22 3lmu s ILE 85 CO -0.10 0.52 0.06 -0.69 -1.23 0.00 0.00 174.94 173.50 3lmu s VAL 86 N -0.40 0.00 0.12 2.92 1.01 0.12 -2.62 120.40 121.55 3lmu s VAL 86 Ca 0.17 0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.93 3lmu s VAL 86 Cb -0.13 -0.42 -0.10 0.00 0.00 0.00 0.00 36.38 35.73 3lmu s VAL 86 CO 0.05 -0.01 1.80 -0.55 0.00 0.00 0.00 175.10 176.39 3lmu s SER 87 N 2.11 6.44 -0.34 3.32 0.15 -1.26 0.15 113.70 124.28 3lmu s SER 87 Ca 0.03 2.73 -0.01 0.00 0.70 0.00 0.00 55.95 59.40 3lmu s SER 87 Cb -0.14 -2.57 0.13 0.00 -1.71 0.00 0.00 66.02 61.73 3lmu s SER 87 CO -0.06 -0.99 0.19 -1.58 1.20 0.00 0.00 173.24 172.00 3lmu s GLN 88 N 2.65 0.45 0.06 5.44 2.00 0.28 -4.78 119.66 125.77 3lmu s GLN 88 Ca 0.80 -1.12 0.26 0.00 -2.00 0.00 0.00 55.36 53.30 3lmu s GLN 88 Cb -0.45 -1.26 0.79 0.00 0.80 0.00 0.00 33.01 32.89 3lmu s GLN 88 CO 0.36 -1.16 1.65 1.97 -0.50 0.00 0.00 175.29 177.60 3lmu n PHE 89 N 4.35 0.27 0.43 1.67 1.16 -1.26 -2.74 117.46 121.35 3lmu n PHE 89 Ca 0.08 0.08 0.10 0.00 -1.87 0.00 0.00 57.45 55.83 3lmu n PHE 89 Cb 0.38 -0.54 0.42 0.00 -1.61 0.00 0.00 39.48 38.13 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 -1.75 0.90 0.31 1.97 -2.24 -1.26 -1.39 114.28 110.82 3lmu n THR 90 Ca 0.06 0.24 0.16 0.00 -2.27 0.00 0.00 64.05 62.24 3lmu n THR 90 Cb 0.37 -1.10 0.75 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.00 -3.08 3.22 3.38 -1.90 -0.54 115.31 116.38 3lmu h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lmu h LEU 91 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3lmu h LEU 91 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3lmu n PHE 92 N -2.77 0.97 -1.80 1.13 3.72 -0.48 -4.94 117.46 113.29 3lmu n PHE 92 Ca -0.00 -0.65 -0.42 0.00 -0.05 0.00 0.00 57.45 56.33 3lmu n PHE 92 Cb 0.20 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.23 1.51 -0.20 1.37 0.00 -0.21 -4.49 107.32 104.06 3lmu s GLY 93 Ca 0.39 1.52 -0.10 0.00 0.00 0.00 0.00 44.72 46.53 3lmu s GLY 93 CO 0.17 2.73 0.15 0.21 0.00 0.00 0.00 173.10 176.37 3lmu s ASN 94 N 1.01 6.23 -0.00 1.64 2.47 0.41 -4.87 114.94 121.82 3lmu s ASN 94 Ca 0.71 0.25 0.10 0.00 0.42 0.00 0.00 52.86 54.34 3lmu s ASN 94 Cb -0.48 -2.10 -0.12 0.00 -1.45 0.00 0.00 41.25 37.11 3lmu s ASN 94 CO 0.35 0.17 0.39 0.35 -3.72 0.00 0.00 177.10 174.64 3lmu n THR 95 N 3.56 0.00 0.13 -5.21 -2.24 -1.26 -2.70 114.28 106.57 3lmu n THR 95 Ca -0.16 -0.26 0.05 0.00 -2.27 0.00 0.00 64.05 61.42 3lmu n THR 95 Cb 0.52 0.89 0.27 0.00 -2.10 0.00 0.00 70.33 69.90 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 -1.33 0.06 0.00 -0.78 5.02 -1.26 -4.52 118.16 115.35 3lmu n LYS 96 Ca 0.01 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 3lmu n LYS 96 Cb 0.17 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3lmu n LYS 96 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3lmu n LYS 97 N -1.81 0.03 -1.42 1.97 4.76 -1.26 -5.07 118.16 115.35 3lmu n LYS 97 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 3lmu n LYS 97 Cb 0.04 0.00 0.14 0.00 -1.84 0.00 0.00 35.03 33.38 3lmu n LYS 97 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3lmu s GLY 98 N 0.00 1.58 -0.09 0.72 0.00 -1.26 -4.92 107.32 103.35 3lmu s GLY 98 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 44.72 44.25 3lmu s GLY 98 CO 0.00 0.13 2.95 0.70 0.00 0.00 0.00 173.10 176.87 3lmu n ASN 99 N -3.86 5.53 -3.78 1.64 5.03 -1.26 -4.62 115.26 113.94 3lmu n ASN 99 Ca 0.06 -2.60 -0.13 0.00 0.87 0.00 0.00 54.58 52.78 3lmu n ASN 99 Cb 0.58 -1.29 -0.12 0.00 -1.02 0.00 0.00 39.78 37.94 3lmu n ASN 99 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3lmu s LYS 100 N 0.15 0.29 0.56 3.52 2.20 -1.26 -5.18 119.74 120.01 3lmu s LYS 100 Ca 0.45 0.35 -0.07 0.00 -0.36 0.00 0.00 55.97 56.35 3lmu s LYS 100 Cb 0.24 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.67 3lmu s LYS 100 CO -0.03 -0.04 0.89 -1.25 -0.36 0.00 0.00 175.35 174.56 3lmu s PRO 101 N 0.18 3.31 -0.07 4.03 0.05 -1.26 -4.89 135.00 136.34 3lmu s PRO 101 Ca -0.00 0.25 0.01 0.00 0.05 0.00 0.00 61.00 61.31 3lmu s PRO 101 Cb -0.02 -2.26 0.02 0.00 0.05 0.00 0.00 34.50 32.28 3lmu s PRO 101 CO -0.00 -0.49 -0.09 0.34 0.05 0.00 0.00 177.00 176.81 3lmu s ASP 102 N -4.20 1.72 -0.38 6.66 2.15 -1.10 -4.90 116.67 116.63 3lmu s ASP 102 Ca 0.52 -0.26 0.07 0.00 0.43 0.00 0.00 52.55 53.30 3lmu s ASP 102 Cb -0.11 -0.75 0.67 0.00 -0.30 0.00 0.00 42.92 42.44 3lmu s ASP 102 CO 0.47 -0.03 1.81 0.49 -0.17 0.00 0.00 175.17 177.74 3lmu n PHE 103 N 4.19 2.56 -0.22 -5.34 3.72 -1.26 -0.45 117.46 120.66 3lmu n PHE 103 Ca -0.20 -1.58 -0.01 0.00 -0.05 0.00 0.00 57.45 55.62 3lmu n PHE 103 Cb 0.51 -0.79 0.06 0.00 -0.94 0.00 0.00 39.48 38.33 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 1.58 -0.40 0.00 1.38 3.86 -1.97 -1.15 115.15 118.45 3lmu h HIS 104 Ca 0.44 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 3lmu h HIS 104 Cb 2.50 0.28 0.00 0.00 1.06 0.00 0.00 27.41 31.25 3lmu h HIS 104 CO 1.39 -0.29 0.00 1.28 0.86 0.00 0.00 177.93 181.17 3lmu n LEU 105 N -5.45 0.00 -4.74 2.43 4.32 -1.26 -4.82 117.00 107.48 3lmu n LEU 105 Ca 0.08 0.19 -0.41 0.00 -0.02 0.00 0.00 56.01 55.84 3lmu n LEU 105 Cb 0.34 -0.19 -0.02 0.00 -1.62 0.00 0.00 43.42 41.93 3lmu n LEU 105 CO 0.03 -0.01 1.16 0.00 -1.22 0.00 0.00 177.39 177.36 3lmu s ALA 106 N -2.38 3.68 0.08 -1.18 0.00 -0.44 -1.77 121.76 119.76 3lmu s ALA 106 Ca 0.34 1.41 -0.31 0.00 0.00 0.00 0.00 51.96 53.40 3lmu s ALA 106 Cb 0.20 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 3lmu s ALA 106 CO 0.41 -0.82 1.81 0.21 0.00 0.00 0.00 175.76 177.37 3lmu s LYS 107 N -0.22 4.15 0.29 0.00 2.20 -1.18 -4.43 119.74 120.56 3lmu s LYS 107 Ca 0.62 2.52 -0.26 0.00 -0.36 0.00 0.00 55.97 58.49 3lmu s LYS 107 Cb -0.44 -3.73 -0.15 0.00 -1.51 0.00 0.00 37.83 32.00 3lmu s LYS 107 CO 0.43 -0.84 0.64 -0.85 -0.36 0.00 0.00 175.35 174.37 3lmu n GLU 108 N 6.13 0.53 -0.13 4.03 0.28 -1.26 -4.59 120.64 125.62 3lmu n GLU 108 Ca 0.18 0.19 -0.04 0.00 -0.16 0.00 0.00 57.16 57.32 3lmu n GLU 108 Cb 0.39 -1.37 0.02 0.00 1.43 0.00 0.00 31.44 31.92 3lmu n GLU 108 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3lmu h PRO 109 N 1.20 -0.07 -0.67 3.44 0.11 -1.98 -1.90 132.00 132.12 3lmu h PRO 109 Ca -0.35 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.84 3lmu h PRO 109 Cb 1.40 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.42 3lmu h PRO 109 CO 0.56 -0.05 -0.53 -0.91 -0.21 0.00 0.00 178.00 176.87 3lmu h ASN 110 N -0.07 -1.85 1.47 -2.05 4.21 -2.01 -0.04 115.58 115.23 3lmu h ASN 110 Ca 0.21 0.28 0.00 0.00 1.21 0.00 0.00 56.30 58.00 3lmu h ASN 110 Cb 0.40 0.81 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 3lmu h ASN 110 CO -0.49 -0.33 -0.19 1.05 -1.29 0.00 0.00 177.43 176.18 3lmu h GLU 111 N -0.21 0.00 -0.02 0.81 -0.00 -1.87 -3.26 114.58 110.02 3lmu h GLU 111 Ca 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.47 3lmu h GLU 111 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.28 3lmu h GLU 111 CO -0.75 0.00 -0.11 0.00 -0.00 0.00 0.00 179.01 178.15 3lmu h ALA 112 N 2.34 0.04 -0.81 1.06 0.00 -0.44 -0.09 119.26 121.37 3lmu h ALA 112 Ca 0.00 -0.37 0.19 0.00 0.00 0.00 0.00 54.91 54.73 3lmu h ALA 112 Cb 0.83 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 3lmu h ALA 112 CO 0.00 -0.05 0.26 1.25 0.00 0.00 0.00 179.25 180.71 3lmu h LEU 113 N -0.49 0.13 -0.16 0.00 5.85 -1.13 1.34 115.31 120.85 3lmu h LEU 113 Ca -0.01 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3lmu h LEU 113 Cb 0.76 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3lmu h LEU 113 CO 0.02 -0.03 -0.06 0.40 -0.34 0.00 0.00 178.44 178.43 3lmu h ILE 114 N 0.32 1.30 0.36 4.05 2.04 -1.59 0.57 117.51 124.56 3lmu h ILE 114 Ca 0.48 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3lmu h ILE 114 Cb 0.87 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 3lmu h ILE 114 CO -0.53 0.31 -0.26 0.15 0.00 0.00 0.00 178.15 177.83 3lmu h PHE 115 N 0.01 -0.68 -0.00 1.37 3.04 0.28 -1.90 116.94 119.05 3lmu h PHE 115 Ca 0.04 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3lmu h PHE 115 Cb 0.51 0.25 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 3lmu h PHE 115 CO 0.06 -0.39 -0.02 -0.92 -2.02 0.00 0.00 178.31 175.02 3lmu h TYR 116 N -0.61 -0.06 -0.66 0.41 3.20 0.18 -1.25 116.97 118.18 3lmu h TYR 116 Ca -0.03 0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.09 3lmu h TYR 116 Cb 0.52 0.03 -0.12 0.00 1.54 0.00 0.00 36.73 38.70 3lmu h TYR 116 CO -0.12 -0.02 0.26 0.09 -1.64 0.00 0.00 178.16 176.73 3lmu n ASN 117 N -2.62 0.15 0.39 -2.11 3.02 0.18 -0.89 115.26 113.38 3lmu n ASN 117 Ca -0.00 1.10 -0.15 0.00 -0.03 0.00 0.00 54.58 55.49 3lmu n ASN 117 Cb 0.02 -0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 3lmu n ASN 117 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3lmu h LYS 118 N 0.00 -0.96 -0.90 3.52 1.79 -0.38 -2.75 116.57 116.88 3lmu h LYS 118 Ca 0.51 0.07 0.23 0.00 -2.18 0.00 0.00 60.65 59.28 3lmu h LYS 118 Cb 1.30 0.22 -0.17 0.00 -1.58 0.00 0.00 32.23 32.00 3lmu h LYS 118 CO -0.54 -0.64 -0.05 -0.89 -1.08 0.00 0.00 179.45 176.25 3lmu n ILE 119 N -5.11 -0.38 -0.28 1.86 5.41 -0.07 -1.22 119.36 119.58 3lmu n ILE 119 Ca -0.12 2.02 -0.02 0.00 1.00 0.00 0.00 62.75 65.63 3lmu n ILE 119 Cb 0.39 -2.90 0.10 0.00 -0.71 0.00 0.00 39.64 36.53 3lmu n ILE 119 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3lmu h ILE 120 N 0.00 1.07 -0.12 1.39 1.08 -1.13 0.16 117.51 119.97 3lmu h ILE 120 Ca 0.52 -0.31 -0.15 0.00 -0.39 0.00 0.00 64.86 64.52 3lmu h ILE 120 Cb 0.99 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3lmu h ILE 120 CO -0.88 0.17 -0.58 0.44 -0.69 0.00 0.00 178.15 176.61 3lmu h ASP 121 N 0.91 0.43 -0.10 1.72 5.19 -1.01 -0.77 116.42 122.79 3lmu h ASP 121 Ca 0.32 -0.24 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3lmu h ASP 121 Cb 0.08 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 3lmu h ASP 121 CO -0.14 0.91 0.00 -0.08 -3.12 0.00 0.00 179.24 176.82 3lmu h GLU 122 N 0.29 0.27 0.00 3.56 4.57 -0.68 0.37 114.58 122.96 3lmu h GLU 122 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3lmu h GLU 122 Cb 1.10 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3lmu h GLU 122 CO 0.10 0.30 0.00 1.19 -1.18 0.00 0.00 179.01 179.42 3lmu n PHE 123 N -4.38 0.00 -0.38 0.92 3.72 0.48 -1.62 117.46 116.21 3lmu n PHE 123 Ca -0.00 0.00 0.32 0.00 -0.05 0.00 0.00 57.45 57.72 3lmu n PHE 123 Cb 0.18 -0.28 0.53 0.00 -0.94 0.00 0.00 39.48 38.97 3lmu n PHE 123 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3lmu n LYS 124 N -1.33 -0.02 0.19 -1.08 4.76 -0.34 0.05 118.16 120.39 3lmu n LYS 124 Ca 0.00 0.94 -0.07 0.00 -2.87 0.00 0.00 58.31 56.30 3lmu n LYS 124 Cb 0.00 -1.88 -0.04 0.00 -1.84 0.00 0.00 35.03 31.27 3lmu n LYS 124 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 3lmu h LYS 125 N 0.00 -0.47 -0.09 1.97 5.09 -0.24 -2.63 116.57 120.20 3lmu h LYS 125 Ca 0.68 0.03 0.03 0.00 0.09 0.00 0.00 60.65 61.47 3lmu h LYS 125 Cb 2.24 0.11 -0.00 0.00 0.10 0.00 0.00 32.23 34.68 3lmu h LYS 125 CO -0.32 -0.31 0.16 1.96 -2.09 0.00 0.00 179.45 178.86 3lmu h GLN 126 N -0.58 0.00 0.00 0.07 4.20 0.61 -3.40 115.11 116.00 3lmu h GLN 126 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3lmu h GLN 126 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3lmu h GLN 126 CO 0.08 0.00 0.00 0.98 -0.67 0.00 0.00 178.83 179.22 3lmu n TYR 127 N -3.45 0.00 0.00 2.96 9.36 -0.82 -5.11 117.16 120.09 3lmu n TYR 127 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 3lmu n TYR 127 Cb 0.26 0.05 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 3lmu n TYR 127 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3lmu n ASN 128 N -1.84 0.00 0.06 2.98 5.15 -0.99 -5.01 115.26 115.60 3lmu n ASN 128 Ca 0.00 0.00 0.20 0.00 -0.60 0.00 0.00 54.58 54.18 3lmu n ASN 128 Cb 0.00 0.00 0.74 0.00 -0.53 0.00 0.00 39.78 39.99 3lmu n ASN 128 CO 0.00 0.00 0.00 -2.24 1.40 0.00 0.00 177.26 176.42 3lmu h ASP 129 N 0.00 0.00 0.55 1.20 -0.00 -1.92 -1.54 116.42 114.72 3lmu h ASP 129 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.03 56.78 3lmu h ASP 129 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.29 3lmu h ASP 129 CO 0.00 0.00 -1.62 0.47 -0.00 0.00 0.00 179.24 178.09 3lmu n ASP 130 N -4.01 0.85 0.19 4.15 8.00 -1.26 -4.08 116.55 120.39 3lmu n ASP 130 Ca 0.08 0.39 0.06 0.00 0.71 0.00 0.00 54.79 56.04 3lmu n ASP 130 Cb 0.59 0.04 0.35 0.00 -0.02 0.00 0.00 41.12 42.08 3lmu n ASP 130 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3lmu h LYS 131 N 0.00 0.00 -5.03 -1.24 1.79 -1.65 -3.43 116.57 107.01 3lmu h LYS 131 Ca -0.25 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.58 3lmu h LYS 131 Cb 1.87 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 32.36 3lmu h LYS 131 CO 0.07 0.35 -0.31 0.42 -1.08 0.00 0.00 179.45 178.89 3lmu s ILE 132 N -3.60 5.20 0.41 1.86 -1.09 -1.09 -0.07 121.20 122.83 3lmu s ILE 132 Ca 0.00 0.31 0.05 0.00 -2.23 0.00 0.00 60.65 58.78 3lmu s ILE 132 Cb 0.11 -3.70 -0.06 0.00 -1.58 0.00 0.00 42.46 37.22 3lmu s ILE 132 CO 0.68 0.09 0.02 -0.54 -1.23 0.00 0.00 174.94 173.97 3lmu s LYS 133 N 1.99 1.95 0.34 2.79 1.02 -0.54 -4.96 119.74 122.32 3lmu s LYS 133 Ca 0.12 -2.13 -0.04 0.00 0.02 0.00 0.00 55.97 53.94 3lmu s LYS 133 Cb -0.16 -1.43 0.00 0.00 -0.52 0.00 0.00 37.83 35.72 3lmu s LYS 133 CO 0.11 -0.15 0.49 0.96 -0.92 0.00 0.00 175.35 175.83 3lmu s ILE 134 N -2.87 0.00 0.00 2.17 -4.36 -1.26 -1.54 121.20 113.34 3lmu s ILE 134 Ca 0.29 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 3lmu s ILE 134 Cb 0.08 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 41.17 3lmu s ILE 134 CO 0.15 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.94 3lmu n GLY 135 N -0.55 1.70 2.89 6.27 0.00 -1.08 -4.72 105.19 109.71 3lmu n GLY 135 Ca 0.00 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 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 3.17 1.34 0.00 1.61 2.20 -1.26 -5.06 119.74 121.74 3lmu s LYS 136 Ca 0.00 -1.00 -0.37 0.00 -0.36 0.00 0.00 55.97 54.24 3lmu s LYS 136 Cb 0.00 -2.49 -0.16 0.00 -1.51 0.00 0.00 37.83 33.67 3lmu s LYS 136 CO 0.00 -0.69 1.50 0.34 -0.36 0.00 0.00 175.35 176.14 3lmu n PHE 137 N 4.71 1.79 0.00 4.03 7.35 -1.26 -2.30 117.46 131.78 3lmu n PHE 137 Ca -0.09 0.53 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 3lmu n PHE 137 Cb 0.44 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 37.86 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 3.14 1.72 3.77 7.13 0.00 -1.26 -4.96 105.19 114.74 3lmu n GLY 138 Ca 0.20 0.00 -0.33 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 -1.71 5.08 0.16 1.61 -0.87 -0.97 -4.98 114.94 113.26 3lmu s ASN 139 Ca 0.00 1.96 -0.31 0.00 -1.57 0.00 0.00 52.86 52.94 3lmu s ASN 139 Cb 0.00 -2.55 -0.09 0.00 -0.02 0.00 0.00 41.25 38.59 3lmu s ASN 139 CO 0.00 -1.65 1.48 -0.47 -2.57 0.00 0.00 177.10 173.89 3lmu s TYR 140 N -2.42 3.12 0.28 2.20 5.04 -1.26 -4.93 117.35 119.39 3lmu s TYR 140 Ca 0.66 0.82 0.12 0.00 -2.44 0.00 0.00 57.07 56.22 3lmu s TYR 140 Cb -0.20 -3.82 -0.05 0.00 0.35 0.00 0.00 41.96 38.24 3lmu s TYR 140 CO 0.43 -2.92 -0.17 -1.64 -1.34 0.00 0.00 175.55 169.92 3lmu s MET 141 N 0.84 1.77 -0.49 4.97 -1.94 -1.26 -4.35 119.30 118.84 3lmu s MET 141 Ca 0.66 -1.74 0.03 0.00 -1.71 0.00 0.00 55.69 52.93 3lmu s MET 141 Cb -0.41 -1.81 0.15 0.00 2.01 0.00 0.00 34.83 34.77 3lmu s MET 141 CO 0.33 0.32 0.32 1.21 -0.01 0.00 0.00 175.02 177.19 3lmu s ASN 142 N -3.54 3.34 -0.16 3.03 2.47 -0.18 -4.93 114.94 114.97 3lmu s ASN 142 Ca 0.30 -2.97 -0.16 0.00 0.42 0.00 0.00 52.86 50.45 3lmu s ASN 142 Cb -0.05 -0.99 -0.04 0.00 -1.45 0.00 0.00 41.25 38.72 3lmu s ASN 142 CO 0.16 -0.21 0.38 -0.63 -3.72 0.00 0.00 177.10 173.08 3lmu s ILE 143 N -0.07 5.24 -0.32 -5.21 1.01 -1.26 -3.03 121.20 117.56 3lmu s ILE 143 Ca 0.23 0.71 -0.11 0.00 0.00 0.00 0.00 60.65 61.47 3lmu s ILE 143 Cb -0.13 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 3lmu s ILE 143 CO -0.08 0.32 0.20 -1.81 0.00 0.00 0.00 174.94 173.57 3lmu s ASP 144 N 0.72 5.89 -0.16 3.58 1.01 0.22 -4.91 116.67 123.01 3lmu s ASP 144 Ca 0.20 -0.36 -0.01 0.00 0.71 0.00 0.00 52.55 53.09 3lmu s ASP 144 Cb -0.14 -2.09 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 3lmu s ASP 144 CO 0.07 -0.18 -0.11 -0.69 0.21 0.00 0.00 175.17 174.47 3lmu s VAL 145 N 1.70 3.07 -1.15 -1.27 1.01 -1.26 -0.18 120.40 122.31 3lmu s VAL 145 Ca 0.06 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 3lmu s VAL 145 Cb -0.17 -2.33 0.25 0.00 0.00 0.00 0.00 36.38 34.13 3lmu s VAL 145 CO 0.09 0.49 1.44 0.41 0.00 0.00 0.00 175.10 177.53 3lmu n THR 146 N 4.02 4.72 -1.70 3.92 -1.04 0.65 -5.01 114.28 119.84 3lmu n THR 146 Ca -0.18 -5.26 -0.56 0.00 -2.04 0.00 0.00 64.05 56.01 3lmu n THR 146 Cb 0.52 -2.36 -0.07 0.00 -1.82 0.00 0.00 70.33 66.60 3lmu n THR 146 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3lmu n ASN 147 N 3.02 2.53 -4.25 8.00 4.13 -1.26 -0.22 115.26 127.20 3lmu n ASN 147 Ca 0.30 1.06 -0.44 0.00 1.68 0.00 0.00 54.58 57.18 3lmu n ASN 147 Cb 0.37 -1.18 0.00 0.00 -1.54 0.00 0.00 39.78 37.44 3lmu n ASN 147 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3lmu n ASP 148 N 5.47 5.75 0.00 6.41 2.03 -0.65 -4.78 116.55 130.79 3lmu n ASP 148 Ca 0.26 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 52.43 3lmu n ASP 148 Cb 0.16 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 3lmu n ASP 148 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3lmu n GLY 149 N 2.38 -2.19 3.83 0.27 0.00 -1.26 -4.03 105.19 104.18 3lmu n GLY 149 Ca 0.25 0.71 -0.33 0.00 0.00 0.00 0.00 46.02 46.65 3lmu n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3lmu s PRO 150 N 0.00 4.12 -0.29 1.61 0.05 -1.26 -5.13 135.00 134.10 3lmu s PRO 150 Ca 0.00 1.01 -0.06 0.00 0.05 0.00 0.00 61.00 62.00 3lmu s PRO 150 Cb 0.00 -2.20 0.01 0.00 0.05 0.00 0.00 34.50 32.36 3lmu s PRO 150 CO 0.00 -0.08 0.07 0.08 0.05 0.00 0.00 177.00 177.12 3lmu s VAL 151 N -2.29 3.87 -0.18 -0.36 1.01 -1.26 -5.01 120.40 116.18 3lmu s VAL 151 Ca 0.60 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3lmu s VAL 151 Cb -0.09 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.33 3lmu s VAL 151 CO 0.19 0.10 -0.11 -0.89 0.00 0.00 0.00 175.10 174.39 3lmu s THR 152 N 1.49 1.56 -0.13 3.92 2.01 -1.26 -0.44 115.64 122.80 3lmu s THR 152 Ca 0.02 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.17 3lmu s THR 152 Cb -0.17 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 3lmu s THR 152 CO 0.02 0.24 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.40 3lmu s ILE 153 N 1.45 2.77 -0.07 1.82 -1.09 0.87 -4.92 121.20 122.03 3lmu s ILE 153 Ca 0.01 -0.76 0.05 0.00 -2.23 0.00 0.00 60.65 57.72 3lmu s ILE 153 Cb -0.15 -2.14 -0.01 0.00 -1.58 0.00 0.00 42.46 38.58 3lmu s ILE 153 CO -0.09 0.53 -0.24 -0.47 -1.23 0.00 0.00 174.94 173.45 3lmu s TYR 154 N 0.42 2.37 -0.04 3.97 5.04 -1.26 0.13 117.35 127.98 3lmu s TYR 154 Ca -0.12 -0.79 -0.03 0.00 -2.44 0.00 0.00 57.07 53.69 3lmu s TYR 154 Cb -0.16 -1.57 0.02 0.00 0.35 0.00 0.00 41.96 40.59 3lmu s TYR 154 CO 0.06 -0.27 0.10 0.42 -1.34 0.00 0.00 175.55 174.51 3lmu s ILE 155 N 0.03 -0.02 -0.40 3.14 1.01 -0.93 -5.03 121.20 119.00 3lmu s ILE 155 Ca -0.08 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.63 3lmu s ILE 155 Cb -0.15 -0.16 0.13 0.00 0.01 0.00 0.00 42.46 42.29 3lmu s ILE 155 CO 0.05 0.02 0.21 -0.62 0.00 0.00 0.00 174.94 174.60 3lmu s ASP 156 N 0.37 3.62 0.52 3.58 2.15 -1.26 -1.95 116.67 123.69 3lmu s ASP 156 Ca -0.03 -2.39 0.46 0.00 0.43 0.00 0.00 52.55 51.03 3lmu s ASP 156 Cb -0.04 -0.91 1.57 0.00 -0.30 0.00 0.00 42.92 43.24 3lmu s ASP 156 CO -0.01 -0.30 1.43 0.35 -0.17 0.00 0.00 175.17 176.47 3lmu n THR 157 N 3.85 0.00 0.01 1.71 -2.24 -0.84 -1.98 114.28 114.79 3lmu n THR 157 Ca 0.07 1.37 0.00 0.00 -2.27 0.00 0.00 64.05 63.22 3lmu n THR 157 Cb 0.36 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.30 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 -3.74 0.00 -0.74 4.78 8.25 -1.26 -4.94 115.22 117.57 3lmu n HIS 158 Ca 0.40 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3lmu n HIS 158 Cb 1.85 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 32.70 3lmu n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73