#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwg s GLU 2 N 0.00 3.14 0.84 -2.82 2.02 -1.26 -1.67 118.70 118.95 1nwg s GLU 2 Ca 0.00 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 54.07 1nwg s GLU 2 Cb 0.00 -4.20 0.10 0.00 0.10 0.00 0.00 34.13 30.13 1nwg s GLU 2 CO 0.00 -1.69 1.15 -0.51 0.02 0.00 0.00 175.26 174.22 1nwg s LEU 3 N 3.80 2.33 0.22 1.80 1.43 -0.82 -4.99 118.68 122.44 1nwg s LEU 3 Ca 0.22 0.93 0.06 0.00 -1.03 0.00 0.00 54.13 54.31 1nwg s LEU 3 Cb -0.17 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1nwg s LEU 3 CO 0.11 -2.15 0.20 0.42 0.23 0.00 0.00 176.35 175.17 1nwg s THR 4 N -3.40 4.61 0.28 5.49 -4.23 -1.26 -4.80 115.64 112.33 1nwg s THR 4 Ca 0.62 -1.21 0.02 0.00 -1.18 0.00 0.00 61.69 59.94 1nwg s THR 4 Cb -0.13 -3.44 0.29 0.00 1.34 0.00 0.00 72.50 70.56 1nwg s THR 4 CO 0.51 -0.26 1.67 0.50 -0.54 0.00 0.00 174.62 176.50 1nwg h LYS 5 N 1.78 0.26 -0.26 3.99 3.64 -1.98 0.89 116.57 124.89 1nwg h LYS 5 Ca -0.49 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.80 1nwg h LYS 5 Cb 1.22 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1nwg h LYS 5 CO 0.62 0.17 -0.14 0.00 -2.27 0.00 0.00 179.45 177.84 1nwg h LYS 7 N 0.29 -0.62 -0.41 0.00 1.57 -1.63 0.66 116.57 116.43 1nwg h LYS 7 Ca 0.06 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 1nwg h LYS 7 Cb 0.65 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.03 1nwg h LYS 7 CO 0.04 -0.41 -0.05 0.28 -0.57 0.00 0.00 179.45 178.74 1nwg h VAL 8 N -0.64 0.64 -0.47 0.50 2.07 -0.83 0.32 116.25 117.84 1nwg h VAL 8 Ca -0.04 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1nwg h VAL 8 Cb 0.54 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1nwg h VAL 8 CO 0.03 0.01 0.13 0.28 0.02 0.00 0.00 177.57 178.04 1nwg h SER 9 N 0.05 0.08 -0.61 0.57 0.02 -0.24 -2.07 113.55 111.35 1nwg h SER 9 Ca 0.20 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.13 1nwg h SER 9 Cb 0.30 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1nwg h SER 9 CO -0.38 0.08 0.02 -0.74 -1.14 0.00 0.00 176.83 174.66 1nwg h HIS 10 N 0.28 1.17 0.00 3.45 6.17 -0.21 -3.16 115.15 122.85 1nwg h HIS 10 Ca 0.23 -0.20 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1nwg h HIS 10 Cb 0.27 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 29.89 1nwg h HIS 10 CO -0.19 1.02 0.00 0.00 0.71 0.00 0.00 177.93 179.47 1nwg h ALA 11 N 1.00 1.00 -0.15 5.26 0.00 -0.30 -3.09 119.26 122.98 1nwg h ALA 11 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1nwg h ALA 11 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1nwg h ALA 11 CO 0.03 0.00 -0.25 0.44 0.00 0.00 0.00 179.25 179.47 1nwg n ILE 12 N -2.30 2.30 -0.35 0.00 -5.35 -0.86 -4.76 119.36 108.04 1nwg n ILE 12 Ca 0.03 -2.85 0.10 0.00 -0.27 0.00 0.00 62.75 59.76 1nwg n ILE 12 Cb 0.28 -0.27 0.29 0.00 -1.74 0.00 0.00 39.64 38.19 1nwg n ILE 12 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1nwg h LYS 13 N 0.93 0.85 0.00 6.28 1.79 -1.59 -0.25 116.57 124.58 1nwg h LYS 13 Ca 0.08 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1nwg h LYS 13 Cb 1.27 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1nwg h LYS 13 CO 0.16 0.56 0.00 -3.47 -1.08 0.00 0.00 179.45 175.62 1nwg n ASP 14 N -4.68 0.00 0.01 0.86 -0.08 -1.26 -1.75 116.55 109.65 1nwg n ASP 14 Ca 0.21 -0.47 0.11 0.00 -1.51 0.00 0.00 54.79 53.13 1nwg n ASP 14 Cb 0.46 -0.06 -0.03 0.00 2.34 0.00 0.00 41.12 43.83 1nwg n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nwg n ILE 15 N -1.06 0.04 -1.72 5.18 3.06 -0.10 -4.87 119.36 119.88 1nwg n ILE 15 Ca 0.13 -0.12 -0.42 0.00 -2.50 0.00 0.00 62.75 59.84 1nwg n ILE 15 Cb 0.08 0.57 -0.03 0.00 0.54 0.00 0.00 39.64 40.81 1nwg n ILE 15 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1nwg s ASP 16 N -3.40 6.25 0.00 9.51 2.15 -0.72 -2.46 116.67 128.00 1nwg s ASP 16 Ca 0.06 2.38 0.00 0.00 0.43 0.00 0.00 52.55 55.42 1nwg s ASP 16 Cb 0.16 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1nwg s ASP 16 CO 0.83 -1.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 1nwg n GLY 17 N 4.78 2.60 3.63 2.66 0.00 -0.37 -4.98 105.19 113.51 1nwg n GLY 17 Ca 0.22 -0.11 -0.48 0.00 0.00 0.00 0.00 46.02 45.64 1nwg n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nwg n TYR 18 N 0.00 1.87 -1.27 1.61 9.36 -1.03 -0.27 117.16 127.43 1nwg n TYR 18 Ca 0.00 0.48 -0.11 0.00 3.32 0.00 0.00 57.90 61.59 1nwg n TYR 18 Cb 0.00 -2.42 -0.05 0.00 -0.63 0.00 0.00 39.34 36.24 1nwg n TYR 18 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1nwg n GLN 19 N 2.63 -1.67 -0.83 2.98 -0.06 -1.26 -1.53 117.38 117.63 1nwg n GLN 19 Ca 0.16 0.83 0.00 0.00 -2.00 0.00 0.00 57.00 55.99 1nwg n GLN 19 Cb 0.26 -5.17 0.00 0.00 -4.06 0.00 0.00 30.24 21.27 1nwg n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nwg n GLY 20 N 0.20 0.69 3.58 1.69 0.00 0.63 -4.98 105.19 106.99 1nwg n GLY 20 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1nwg n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nwg s ILE 21 N -2.55 4.99 0.78 -0.61 -1.09 -0.58 -4.89 121.20 117.26 1nwg s ILE 21 Ca 0.00 0.56 -0.12 0.00 -2.23 0.00 0.00 60.65 58.87 1nwg s ILE 21 Cb 0.00 -3.96 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1nwg s ILE 21 CO 0.00 -0.16 1.12 -0.94 -1.23 0.00 0.00 174.94 173.73 1nwg s SER 22 N 1.71 4.69 0.33 3.58 1.04 -1.26 -1.24 113.70 122.55 1nwg s SER 22 Ca 0.21 1.08 0.01 0.00 0.48 0.00 0.00 55.95 57.73 1nwg s SER 22 Cb -0.15 -1.77 0.55 0.00 0.10 0.00 0.00 66.02 64.75 1nwg s SER 22 CO 0.13 -1.82 1.94 -0.07 0.98 0.00 0.00 173.24 174.40 1nwg h LEU 23 N -0.99 0.73 -0.04 2.42 3.38 -1.93 -1.43 115.31 117.45 1nwg h LEU 23 Ca -0.47 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1nwg h LEU 23 Cb 1.29 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1nwg h LEU 23 CO 0.63 0.61 0.01 -0.07 0.09 0.00 0.00 178.44 179.71 1nwg h LEU 24 N 0.82 0.06 -0.28 1.67 3.38 -1.90 -0.74 115.31 118.31 1nwg h LEU 24 Ca 0.21 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1nwg h LEU 24 Cb 0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1nwg h LEU 24 CO -0.03 0.26 -0.08 -0.33 0.09 0.00 0.00 178.44 178.35 1nwg h GLU 25 N -0.15 -0.02 -0.72 1.13 5.08 -1.77 -1.76 114.58 116.36 1nwg h GLU 25 Ca 0.01 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1nwg h GLU 25 Cb 0.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1nwg h GLU 25 CO -0.00 -0.01 0.46 -1.49 -1.00 0.00 0.00 179.01 176.96 1nwg h TRP 26 N -0.02 0.86 -0.26 4.33 4.06 -1.08 0.98 115.95 124.81 1nwg h TRP 26 Ca 0.14 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.15 1nwg h TRP 26 Cb 0.23 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 28.07 1nwg h TRP 26 CO -0.29 0.49 0.01 0.00 -3.56 0.00 0.00 178.44 175.10 1nwg h ALA 27 N 1.31 0.24 0.28 1.49 0.00 -0.69 0.65 119.26 122.54 1nwg h ALA 27 Ca 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1nwg h ALA 27 Cb 0.01 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nwg h ALA 27 CO -0.11 -0.41 -0.14 0.00 0.00 0.00 0.00 179.25 178.60 1nwg h VAL 29 N -0.46 0.38 -1.01 0.00 2.07 0.16 -2.42 116.25 114.97 1nwg h VAL 29 Ca -0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1nwg h VAL 29 Cb 0.35 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1nwg h VAL 29 CO 0.06 0.00 0.67 -0.07 0.02 0.00 0.00 177.57 178.25 1nwg h LEU 30 N -0.52 1.15 -0.03 2.57 3.38 0.28 -2.10 115.31 120.04 1nwg h LEU 30 Ca 0.02 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1nwg h LEU 30 Cb 0.54 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1nwg h LEU 30 CO -0.15 0.83 -0.05 0.15 0.09 0.00 0.00 178.44 179.32 1nwg h PHE 31 N 1.36 -0.11 0.00 1.13 3.57 -1.08 -0.07 116.94 121.74 1nwg h PHE 31 Ca 0.37 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1nwg h PHE 31 Cb -0.15 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1nwg h PHE 31 CO -0.00 -0.07 0.00 0.72 -2.23 0.00 0.00 178.31 176.73 1nwg n HIS 32 N -5.16 0.00 -0.13 0.41 8.25 -0.93 -0.56 115.22 117.10 1nwg n HIS 32 Ca -0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.18 1nwg n HIS 32 Cb 0.09 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 1nwg n HIS 32 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1nwg n THR 33 N -1.02 1.41 -0.78 1.59 -1.04 -0.57 -4.81 114.28 109.06 1nwg n THR 33 Ca 0.15 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1nwg n THR 33 Cb 0.07 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 1nwg n THR 33 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1nwg n SER 34 N -3.65 0.42 -2.65 8.00 3.41 -0.15 -4.91 113.62 114.10 1nwg n SER 34 Ca -0.47 -1.20 -0.18 0.00 -0.26 0.00 0.00 58.87 56.76 1nwg n SER 34 Cb 0.91 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1nwg n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nwg n GLY 35 N -0.10 -0.50 2.73 5.00 0.00 0.28 0.03 105.19 112.63 1nwg n GLY 35 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1nwg n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nwg n TYR 36 N -3.84 -0.00 -2.78 1.61 4.01 -1.26 -4.72 117.16 110.18 1nwg n TYR 36 Ca -0.16 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.16 1nwg n TYR 36 Cb 0.63 -3.04 -0.04 0.00 -0.31 0.00 0.00 39.34 36.58 1nwg n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1nwg s ASP 37 N -2.54 6.45 0.64 7.72 -1.08 0.10 -1.95 116.67 126.01 1nwg s ASP 37 Ca 0.00 -0.02 0.41 0.00 -0.52 0.00 0.00 52.55 52.42 1nwg s ASP 37 Cb 0.00 -2.47 2.23 0.00 -1.46 0.00 0.00 42.92 41.22 1nwg s ASP 37 CO 0.00 -1.18 2.32 0.71 0.52 0.00 0.00 175.17 177.53 1nwg h THR 38 N 6.08 0.12 -0.45 1.71 1.35 -1.64 -2.04 112.91 118.04 1nwg h THR 38 Ca -0.25 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1nwg h THR 38 Cb 1.07 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1nwg h THR 38 CO 1.08 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.35 1nwg n GLN 39 N -3.24 3.15 -1.73 4.72 6.02 -1.26 -3.93 117.38 121.10 1nwg n GLN 39 Ca -0.03 -2.54 -0.42 0.00 -0.01 0.00 0.00 57.00 54.00 1nwg n GLN 39 Cb 0.09 -1.62 -0.02 0.00 1.02 0.00 0.00 30.24 29.72 1nwg n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nwg n ALA 40 N 0.54 2.64 -3.89 -1.58 0.00 -0.77 -4.71 120.51 112.73 1nwg n ALA 40 Ca 0.19 0.38 -0.27 0.00 0.00 0.00 0.00 53.44 53.74 1nwg n ALA 40 Cb 0.69 -2.48 -0.17 0.00 0.00 0.00 0.00 19.45 17.49 1nwg n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nwg s VAL 41 N 0.44 1.02 -0.02 0.00 1.01 -1.26 -0.52 120.40 121.07 1nwg s VAL 41 Ca 0.68 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1nwg s VAL 41 Cb -0.50 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1nwg s VAL 41 CO 0.42 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 175.04 1nwg s VAL 42 N 1.70 0.58 0.19 2.92 1.01 -0.93 -4.98 120.40 120.89 1nwg s VAL 42 Ca 0.04 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 1nwg s VAL 42 Cb -0.13 -0.52 -0.08 0.00 0.00 0.00 0.00 36.38 35.64 1nwg s VAL 42 CO -0.08 0.19 0.73 0.20 0.00 0.00 0.00 175.10 176.13 1nwg s ASN 43 N 0.17 7.15 -0.24 3.32 0.01 -1.26 -0.66 114.94 123.44 1nwg s ASN 43 Ca -0.02 1.47 -0.03 0.00 -0.71 0.00 0.00 52.86 53.58 1nwg s ASN 43 Cb -0.07 -2.44 0.12 0.00 0.41 0.00 0.00 41.25 39.28 1nwg s ASN 43 CO -0.00 0.11 0.31 -0.62 -1.51 0.00 0.00 177.10 175.38 1nwg s ASP 44 N -1.45 0.91 -1.09 -1.22 -1.08 0.13 -4.94 116.67 107.91 1nwg s ASP 44 Ca 0.40 -0.14 -0.15 0.00 -0.52 0.00 0.00 52.55 52.13 1nwg s ASP 44 Cb -0.19 0.75 0.02 0.00 -1.46 0.00 0.00 42.92 42.04 1nwg s ASP 44 CO 0.22 -0.33 0.29 -3.20 0.52 0.00 0.00 175.17 172.67 1nwg n ASN 45 N 5.34 -1.37 0.00 -0.34 4.05 -1.26 0.78 115.26 122.46 1nwg n ASN 45 Ca -0.04 -1.03 0.00 0.00 0.45 0.00 0.00 54.58 53.96 1nwg n ASN 45 Cb 0.49 -1.26 0.00 0.00 1.23 0.00 0.00 39.78 40.25 1nwg n ASN 45 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nwg n GLY 46 N -2.06 1.16 3.63 8.20 0.00 -1.26 -5.04 105.19 109.82 1nwg n GLY 46 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1nwg n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nwg s SER 47 N -3.09 4.51 -0.10 1.61 0.01 0.23 -5.03 113.70 111.85 1nwg s SER 47 Ca 0.00 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.68 1nwg s SER 47 Cb 0.00 -0.84 0.01 0.00 0.21 0.00 0.00 66.02 65.40 1nwg s SER 47 CO 0.00 0.03 -0.20 -0.89 0.41 0.00 0.00 173.24 172.59 1nwg s THR 48 N -2.15 1.74 -0.09 1.44 2.01 -1.26 0.17 115.64 117.50 1nwg s THR 48 Ca 0.30 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.45 1nwg s THR 48 Cb -0.07 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 1nwg s THR 48 CO 0.19 0.49 0.00 -1.61 -0.69 0.00 0.00 174.62 173.00 1nwg s GLU 49 N 0.56 3.04 -0.04 4.92 2.02 0.16 -1.04 118.70 128.32 1nwg s GLU 49 Ca -0.15 -0.41 0.06 0.00 0.02 0.00 0.00 54.97 54.49 1nwg s GLU 49 Cb -0.17 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 1nwg s GLU 49 CO 0.05 0.67 -0.22 0.71 0.02 0.00 0.00 175.26 176.49 1nwg s TYR 50 N -0.79 2.48 0.00 1.61 1.51 0.33 -2.19 117.35 120.31 1nwg s TYR 50 Ca 0.12 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1nwg s TYR 50 Cb -0.11 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 1nwg s TYR 50 CO 0.02 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 1nwg n GLY 51 N 2.59 -0.01 0.34 0.71 0.00 0.33 -1.77 105.19 107.38 1nwg n GLY 51 Ca -0.17 -0.91 0.06 0.00 0.00 0.00 0.00 46.02 45.00 1nwg n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nwg h LEU 52 N 0.00 -0.82 -0.05 0.99 5.85 -1.67 0.18 115.31 119.78 1nwg h LEU 52 Ca 0.00 0.28 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1nwg h LEU 52 Cb 0.00 0.57 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1nwg h LEU 52 CO 0.00 -0.31 -0.47 0.49 -0.34 0.00 0.00 178.44 177.81 1nwg n PHE 53 N -5.58 0.00 -3.65 1.25 3.72 -1.26 -4.21 117.46 107.72 1nwg n PHE 53 Ca 0.15 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.34 1nwg n PHE 53 Cb 0.50 -0.24 0.04 0.00 -0.94 0.00 0.00 39.48 38.84 1nwg n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nwg n GLN 54 N -1.41 -4.38 -2.31 -1.08 1.13 0.63 -4.94 117.38 105.02 1nwg n GLN 54 Ca 0.06 0.63 -0.41 0.00 -1.94 0.00 0.00 57.00 55.34 1nwg n GLN 54 Cb 0.34 -5.14 -0.03 0.00 0.11 0.00 0.00 30.24 25.51 1nwg n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nwg s ILE 55 N -3.62 3.22 0.06 5.09 1.01 -0.86 -4.16 121.20 121.94 1nwg s ILE 55 Ca 0.08 1.16 -0.12 0.00 0.00 0.00 0.00 60.65 61.78 1nwg s ILE 55 Cb -0.02 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 1nwg s ILE 55 CO 0.81 0.25 0.42 -0.55 0.00 0.00 0.00 174.94 175.86 1nwg s SER 56 N -0.42 6.71 0.00 3.58 0.15 -1.26 0.12 113.70 122.59 1nwg s SER 56 Ca 0.49 0.87 0.30 0.00 0.70 0.00 0.00 55.95 58.31 1nwg s SER 56 Cb -0.35 -2.21 1.44 0.00 -1.71 0.00 0.00 66.02 63.19 1nwg s SER 56 CO 0.44 0.22 2.00 -0.90 1.20 0.00 0.00 173.24 176.19 1nwg n ASP 57 N 1.20 0.14 -0.13 5.45 5.75 -0.21 -1.65 116.55 127.11 1nwg n ASP 57 Ca -0.10 -0.30 -0.10 0.00 -0.01 0.00 0.00 54.79 54.29 1nwg n ASP 57 Cb 0.52 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.39 1nwg n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1nwg h ARG 58 N 0.16 0.59 0.00 0.11 2.43 -1.82 -3.41 114.38 112.44 1nwg h ARG 58 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1nwg h ARG 58 Cb 0.30 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1nwg h ARG 58 CO 0.00 0.62 -0.37 1.19 -1.51 0.00 0.00 179.97 179.90 1nwg n PHE 59 N -4.60 0.00 -0.10 2.20 3.72 -1.24 -4.26 117.46 113.18 1nwg n PHE 59 Ca -0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.15 1nwg n PHE 59 Cb 0.19 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.62 1nwg n PHE 59 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1nwg n TRP 60 N -0.86 0.65 -4.36 1.38 7.02 -0.66 -0.13 117.44 120.48 1nwg n TRP 60 Ca 0.00 0.23 -0.28 0.00 -1.02 0.00 0.00 57.50 56.43 1nwg n TRP 60 Cb 0.12 -1.07 -0.11 0.00 -2.42 0.00 0.00 31.31 27.82 1nwg n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nwg s LYS 62 N -2.42 4.60 -0.11 0.00 2.20 -0.50 -4.30 119.74 119.21 1nwg s LYS 62 Ca 0.19 1.21 -0.02 0.00 -0.36 0.00 0.00 55.97 56.99 1nwg s LYS 62 Cb -0.09 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1nwg s LYS 62 CO 0.10 0.44 -0.03 -1.54 -0.36 0.00 0.00 175.35 173.96 1nwg s SER 63 N -0.70 4.93 0.00 1.43 1.04 -1.26 0.65 113.70 119.79 1nwg s SER 63 Ca 0.39 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1nwg s SER 63 Cb -0.23 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.35 1nwg s SER 63 CO 0.26 0.28 0.87 -1.54 0.98 0.00 0.00 173.24 174.10 1nwg n SER 64 N 2.77 0.18 -0.08 7.02 3.41 -1.26 -3.62 113.62 122.04 1nwg n SER 64 Ca -0.18 -1.93 -0.16 0.00 -0.26 0.00 0.00 58.87 56.34 1nwg n SER 64 Cb 0.53 -0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.27 1nwg n SER 64 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1nwg h GLU 65 N 0.01 0.00 -4.86 4.33 4.39 -2.04 -3.49 114.58 112.92 1nwg h GLU 65 Ca 0.00 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.30 1nwg h GLU 65 Cb 0.09 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.60 1nwg h GLU 65 CO 0.00 0.91 -0.56 -0.59 -1.16 0.00 0.00 179.01 177.61 1nwg s PHE 66 N -2.25 1.57 -0.42 4.33 -0.12 -1.24 -5.15 117.98 114.71 1nwg s PHE 66 Ca -0.22 -1.39 0.01 0.00 -0.05 0.00 0.00 56.93 55.29 1nwg s PHE 66 Cb 0.01 -0.82 0.11 0.00 -0.63 0.00 0.00 43.02 41.69 1nwg s PHE 66 CO 0.59 -0.55 0.17 -1.25 -0.05 0.00 0.00 175.22 174.13 1nwg s PRO 67 N -3.83 1.82 0.00 1.99 0.04 -1.26 -4.59 135.00 129.17 1nwg s PRO 67 Ca 0.36 -2.05 0.00 0.00 0.04 0.00 0.00 61.00 59.35 1nwg s PRO 67 Cb 0.05 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1nwg s PRO 67 CO 0.18 -1.03 0.00 -0.85 0.04 0.00 0.00 177.00 175.34 1nwg n GLU 68 N 4.08 0.00 -0.77 4.56 0.28 -1.26 -5.15 120.64 122.37 1nwg n GLU 68 Ca 0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.70 1nwg n GLU 68 Cb 0.40 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.40 1nwg n GLU 68 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1nwg n SER 69 N 0.00 -1.79 0.28 -1.84 2.88 -1.26 -4.83 113.62 107.06 1nwg n SER 69 Ca 0.00 0.32 0.18 0.00 -1.33 0.00 0.00 58.87 58.03 1nwg n SER 69 Cb 0.00 -1.23 0.73 0.00 -0.75 0.00 0.00 64.21 62.96 1nwg n SER 69 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1nwg h GLU 70 N -1.64 0.00 -7.00 -1.46 3.07 -1.74 -3.46 114.58 102.35 1nwg h GLU 70 Ca -0.44 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 57.84 1nwg h GLU 70 Cb 1.28 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.11 1nwg h GLU 70 CO 0.35 0.01 -0.95 -1.71 -1.40 0.00 0.00 179.01 175.32 1nwg n ASN 71 N -3.11 -2.23 -0.07 1.42 4.05 -1.03 -4.75 115.26 109.53 1nwg n ASN 71 Ca 0.00 -1.24 0.13 0.00 0.45 0.00 0.00 54.58 53.92 1nwg n ASN 71 Cb 0.29 -1.50 0.53 0.00 1.23 0.00 0.00 39.78 40.32 1nwg n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1nwg h ILE 72 N -2.14 0.87 -0.00 -1.44 2.04 -0.29 0.32 117.51 116.87 1nwg h ILE 72 Ca -0.66 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1nwg h ILE 72 Cb 1.33 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1nwg h ILE 72 CO 0.55 0.06 -0.09 0.00 0.00 0.00 0.00 178.15 178.67 1nwg n GLY 74 N 1.48 -0.36 3.21 0.00 0.00 0.10 -4.96 105.19 104.66 1nwg n GLY 74 Ca 0.08 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 1nwg n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nwg s ILE 75 N -3.63 0.01 0.24 -0.61 1.10 -1.26 -5.06 121.20 111.99 1nwg s ILE 75 Ca 0.04 -0.04 -0.30 0.00 -0.51 0.00 0.00 60.65 59.84 1nwg s ILE 75 Cb -0.01 -0.46 -0.09 0.00 0.15 0.00 0.00 42.46 42.05 1nwg s ILE 75 CO 0.80 -0.02 1.32 -0.55 -2.11 0.00 0.00 174.94 174.38 1nwg s SER 76 N 0.04 6.85 0.49 4.50 0.15 -1.26 -1.40 113.70 123.06 1nwg s SER 76 Ca -0.01 2.50 0.14 0.00 0.70 0.00 0.00 55.95 59.27 1nwg s SER 76 Cb -0.03 -2.62 1.16 0.00 -1.71 0.00 0.00 66.02 62.82 1nwg s SER 76 CO 0.01 -0.54 2.12 0.00 1.20 0.00 0.00 173.24 176.03 1nwg h ASP 78 N 0.13 0.00 0.45 0.00 3.32 -1.90 -0.74 116.42 117.69 1nwg h ASP 78 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1nwg h ASP 78 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1nwg h ASP 78 CO -0.01 0.01 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 1nwg n LYS 79 N -3.33 0.51 -0.62 3.56 4.76 -0.05 -2.63 118.16 120.36 1nwg n LYS 79 Ca -0.03 0.01 0.10 0.00 -2.87 0.00 0.00 58.31 55.52 1nwg n LYS 79 Cb 0.10 -1.50 0.37 0.00 -1.84 0.00 0.00 35.03 32.15 1nwg n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nwg n LEU 80 N -1.24 4.81 -0.46 -0.35 4.77 -0.28 -4.15 117.00 120.10 1nwg n LEU 80 Ca 0.15 -2.43 0.05 0.00 -0.03 0.00 0.00 56.01 53.75 1nwg n LEU 80 Cb 0.21 -0.59 0.12 0.00 -2.33 0.00 0.00 43.42 40.84 1nwg n LEU 80 CO 0.21 0.83 0.60 0.18 -1.33 0.00 0.00 177.39 177.88 1nwg n LEU 81 N 1.20 2.75 0.00 2.23 4.77 -1.08 -3.21 117.00 123.67 1nwg n LEU 81 Ca 0.26 -2.17 -0.13 0.00 -0.03 0.00 0.00 56.01 53.94 1nwg n LEU 81 Cb 0.89 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.77 1nwg n LEU 81 CO 0.24 0.66 0.00 -0.90 -1.33 0.00 0.00 177.39 176.07 1nwg n ASP 82 N 0.02 1.96 -0.94 -1.43 5.68 -1.26 -4.47 116.55 116.12 1nwg n ASP 82 Ca 0.10 -1.91 0.11 0.00 -0.50 0.00 0.00 54.79 52.59 1nwg n ASP 82 Cb 0.44 0.02 0.27 0.00 -1.14 0.00 0.00 41.12 40.71 1nwg n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1nwg n ASP 83 N -1.78 2.79 -4.49 -1.12 9.92 -1.26 -4.74 116.55 115.87 1nwg n ASP 83 Ca -0.03 -1.90 -0.43 0.00 -0.53 0.00 0.00 54.79 51.90 1nwg n ASP 83 Cb 0.29 -0.22 -0.08 0.00 -0.64 0.00 0.00 41.12 40.48 1nwg n ASP 83 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1nwg s GLU 84 N -1.57 3.15 0.00 -1.24 0.41 -1.26 -4.94 118.70 113.26 1nwg s GLU 84 Ca 0.36 -0.67 0.24 0.00 -0.41 0.00 0.00 54.97 54.49 1nwg s GLU 84 Cb 0.20 -3.99 0.37 0.00 -1.78 0.00 0.00 34.13 28.93 1nwg s GLU 84 CO 0.29 -0.97 1.31 1.28 -0.49 0.00 0.00 175.26 176.69 1nwg n LEU 85 N 5.90 0.93 -0.02 1.80 4.32 -1.26 -4.38 117.00 124.28 1nwg n LEU 85 Ca -0.05 -0.26 0.01 0.00 -0.02 0.00 0.00 56.01 55.68 1nwg n LEU 85 Cb 0.47 -0.14 0.32 0.00 -1.62 0.00 0.00 43.42 42.46 1nwg n LEU 85 CO 0.50 0.20 1.02 0.44 -1.22 0.00 0.00 177.39 178.33 1nwg h ASP 86 N 0.62 0.53 1.05 -1.43 3.45 -1.92 0.15 116.42 118.87 1nwg h ASP 86 Ca 0.00 -0.07 -0.14 0.00 0.43 0.00 0.00 57.03 57.25 1nwg h ASP 86 Cb 0.53 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 1nwg h ASP 86 CO 0.00 0.51 -0.66 -2.24 -1.57 0.00 0.00 179.24 175.29 1nwg h ASP 87 N 0.57 0.00 -0.26 6.45 3.04 -1.92 -2.01 116.42 122.29 1nwg h ASP 87 Ca 0.13 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.76 1nwg h ASP 87 Cb 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.48 1nwg h ASP 87 CO -0.01 0.66 -0.48 0.44 -2.04 0.00 0.00 179.24 177.81 1nwg h ASP 88 N 0.00 0.87 -0.57 4.15 3.45 -1.59 -2.67 116.42 120.06 1nwg h ASP 88 Ca -0.01 -0.53 0.03 0.00 0.43 0.00 0.00 57.03 56.95 1nwg h ASP 88 Cb 1.36 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 39.84 1nwg h ASP 88 CO 0.09 1.24 0.34 0.40 -1.57 0.00 0.00 179.24 179.74 1nwg h ILE 89 N 0.54 1.05 -0.58 0.35 2.04 -0.67 -0.07 117.51 120.16 1nwg h ILE 89 Ca 0.01 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1nwg h ILE 89 Cb 1.09 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1nwg h ILE 89 CO 0.11 0.12 0.33 0.00 0.00 0.00 0.00 178.15 178.71 1nwg h ALA 90 N 1.26 1.48 -0.30 1.87 0.00 -1.27 -0.61 119.26 121.70 1nwg h ALA 90 Ca 0.23 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1nwg h ALA 90 Cb 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1nwg h ALA 90 CO -0.11 0.44 -0.53 0.00 0.00 0.00 0.00 179.25 179.04 1nwg h ALA 92 N 0.71 1.15 -0.37 0.00 0.00 -0.29 -0.66 119.26 119.79 1nwg h ALA 92 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nwg h ALA 92 Cb 1.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1nwg h ALA 92 CO 0.12 0.27 0.24 0.87 0.00 0.00 0.00 179.25 180.75 1nwg h LYS 93 N 0.95 0.48 0.00 0.00 1.57 -1.01 -0.10 116.57 118.46 1nwg h LYS 93 Ca 0.36 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1nwg h LYS 93 Cb 0.16 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1nwg h LYS 93 CO -0.17 0.32 -0.11 0.87 -0.57 0.00 0.00 179.45 179.80 1nwg h LYS 94 N 0.50 0.00 -0.02 3.15 1.57 -0.96 -1.03 116.57 119.78 1nwg h LYS 94 Ca 0.14 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.70 1nwg h LYS 94 Cb -0.05 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.27 1nwg h LYS 94 CO -0.03 0.11 -0.82 0.82 -0.57 0.00 0.00 179.45 178.95 1nwg h ILE 95 N 0.00 1.34 -0.28 1.86 2.04 0.15 -2.39 117.51 120.23 1nwg h ILE 95 Ca -0.00 -2.14 0.01 0.00 1.00 0.00 0.00 64.86 63.73 1nwg h ILE 95 Cb 0.28 2.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 1nwg h ILE 95 CO 0.01 0.65 0.15 -0.07 0.00 0.00 0.00 178.15 178.89 1nwg h LEU 96 N 0.19 0.24 -0.76 1.44 3.38 -0.41 0.49 115.31 119.89 1nwg h LEU 96 Ca -0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1nwg h LEU 96 Cb 1.50 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 1nwg h LEU 96 CO 0.16 0.18 0.38 0.00 0.09 0.00 0.00 178.44 179.25 1nwg h ALA 97 N 1.13 0.97 0.06 1.53 0.00 -1.27 -1.85 119.26 119.83 1nwg h ALA 97 Ca 0.11 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1nwg h ALA 97 Cb 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1nwg h ALA 97 CO -0.06 0.52 -1.66 -0.89 0.00 0.00 0.00 179.25 177.16 1nwg n ILE 98 N -4.40 1.65 -0.10 0.00 5.41 -0.90 -4.77 119.36 116.25 1nwg n ILE 98 Ca 0.07 -0.33 -0.15 0.00 1.00 0.00 0.00 62.75 63.34 1nwg n ILE 98 Cb 0.12 -1.89 -0.09 0.00 -0.71 0.00 0.00 39.64 37.08 1nwg n ILE 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1nwg n LYS 99 N -3.98 0.47 0.00 0.38 4.81 0.16 -5.09 118.16 114.91 1nwg n LYS 99 Ca -0.33 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 1nwg n LYS 99 Cb 0.86 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 34.56 1nwg n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nwg n GLY 100 N 2.41 1.37 0.35 3.14 0.00 -0.49 -4.68 105.19 107.29 1nwg n GLY 100 Ca -0.35 -2.12 0.18 0.00 0.00 0.00 0.00 46.02 43.73 1nwg n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nwg h ILE 101 N 0.00 0.28 0.00 -0.61 6.09 -1.88 -2.52 117.51 118.87 1nwg h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1nwg h ILE 101 Cb 0.00 0.78 0.00 0.00 0.47 0.00 0.00 36.82 38.07 1nwg h ILE 101 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1nwg n ASP 102 N -3.47 0.00 0.16 2.19 10.43 -1.26 -2.10 116.55 122.50 1nwg n ASP 102 Ca 0.01 -0.45 0.02 0.00 2.57 0.00 0.00 54.79 56.94 1nwg n ASP 102 Cb 0.35 0.00 0.36 0.00 1.84 0.00 0.00 41.12 43.68 1nwg n ASP 102 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1nwg h TYR 103 N 0.00 0.10 -2.87 1.24 3.20 -1.77 -3.34 116.97 113.54 1nwg h TYR 103 Ca 0.00 -0.02 -0.71 0.00 3.14 0.00 0.00 58.73 61.14 1nwg h TYR 103 Cb 0.00 -0.03 -0.20 0.00 1.54 0.00 0.00 36.73 38.05 1nwg h TYR 103 CO 0.00 0.39 0.45 -1.58 -1.64 0.00 0.00 178.16 175.78 1nwg s TRP 104 N -4.36 3.18 -0.59 -3.82 0.51 -0.89 -4.92 118.94 108.05 1nwg s TRP 104 Ca -0.04 -1.32 0.06 0.00 -2.12 0.00 0.00 56.10 52.68 1nwg s TRP 104 Cb 0.15 -4.11 0.32 0.00 -0.81 0.00 0.00 33.47 29.02 1nwg s TRP 104 CO 0.73 -1.35 1.11 1.63 -0.51 0.00 0.00 176.95 178.56 1nwg n LYS 105 N 6.05 0.04 0.16 4.98 5.02 -1.25 -1.34 118.16 131.81 1nwg n LYS 105 Ca 0.10 0.48 0.12 0.00 -2.02 0.00 0.00 58.31 56.99 1nwg n LYS 105 Cb 0.46 -1.73 0.22 0.00 -0.02 0.00 0.00 35.03 33.97 1nwg n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nwg h ALA 106 N 1.65 0.92 0.82 7.82 0.00 -1.91 -3.39 119.26 125.17 1nwg h ALA 106 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1nwg h ALA 106 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1nwg h ALA 106 CO 0.00 0.00 -0.39 -0.92 0.00 0.00 0.00 179.25 177.94 1nwg h TYR 107 N 0.00 -1.02 -0.08 0.00 3.20 -1.54 -2.59 116.97 114.93 1nwg h TYR 107 Ca 0.00 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1nwg h TYR 107 Cb 0.90 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.47 1nwg h TYR 107 CO 0.00 -0.63 -0.14 0.87 -1.64 0.00 0.00 178.16 176.62 1nwg h LYS 108 N -1.15 -0.19 -0.25 1.82 1.79 -1.81 -1.60 116.57 115.19 1nwg h LYS 108 Ca -0.11 0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.20 1nwg h LYS 108 Cb 0.85 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1nwg h LYS 108 CO 0.19 -0.13 -0.52 -1.00 -1.08 0.00 0.00 179.45 176.91 1nwg h PRO 109 N -0.20 0.71 0.00 3.15 0.13 -1.78 -3.35 132.00 130.67 1nwg h PRO 109 Ca 0.08 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1nwg h PRO 109 Cb 0.31 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1nwg h PRO 109 CO -0.20 1.05 -0.78 -1.33 -0.23 0.00 0.00 178.00 176.51 1nwg n MET 110 N -3.99 2.18 -1.54 0.86 2.81 -0.98 -4.65 117.12 111.81 1nwg n MET 110 Ca -0.03 -0.02 -0.01 0.00 -1.81 0.00 0.00 57.70 55.83 1nwg n MET 110 Cb 0.60 -1.17 0.09 0.00 -0.71 0.00 0.00 33.22 32.02 1nwg n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nwg n SER 112 N -0.45 1.44 -3.62 0.00 7.64 -1.24 -4.91 113.62 112.48 1nwg n SER 112 Ca 0.18 -1.16 -0.08 0.00 1.01 0.00 0.00 58.87 58.82 1nwg n SER 112 Cb 0.90 0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 64.34 1nwg n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1nwg s GLU 113 N -2.46 1.26 -1.10 1.43 -1.05 -1.26 -4.99 118.70 110.53 1nwg s GLU 113 Ca 0.23 -0.59 -0.00 0.00 -0.15 0.00 0.00 54.97 54.45 1nwg s GLU 113 Cb 0.19 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.38 1nwg s GLU 113 CO 0.53 -0.57 0.92 1.63 0.95 0.00 0.00 175.26 178.72 1nwg n LYS 114 N -0.39 -6.09 0.17 -4.83 5.02 -1.26 -4.92 118.16 105.87 1nwg n LYS 114 Ca -0.09 0.78 0.06 0.00 -2.02 0.00 0.00 58.31 57.03 1nwg n LYS 114 Cb 0.62 -5.58 0.13 0.00 -0.02 0.00 0.00 35.03 30.18 1nwg n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1nwg h LEU 115 N -1.75 0.00 -1.90 -0.35 3.38 -1.94 -3.33 115.31 109.42 1nwg h LEU 115 Ca -0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1nwg h LEU 115 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1nwg h LEU 115 CO 0.46 0.35 0.06 -0.33 0.09 0.00 0.00 178.44 179.07 1nwg h GLU 116 N 0.00 0.13 0.00 1.13 4.39 -1.97 -1.80 114.58 116.46 1nwg h GLU 116 Ca -0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1nwg h GLU 116 Cb 1.19 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1nwg h GLU 116 CO 0.05 0.09 -0.01 -0.56 -1.16 0.00 0.00 179.01 177.41 1nwg h GLN 117 N 0.13 0.00 -0.01 2.33 3.07 -1.98 -2.57 115.11 116.08 1nwg h GLN 117 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 1nwg h GLN 117 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.55 1nwg h GLN 117 CO -0.01 0.01 -0.01 0.91 0.09 0.00 0.00 178.83 179.83 1nwg n TRP 118 N -3.56 0.00 -2.14 0.06 7.02 -0.68 -4.90 117.44 113.24 1nwg n TRP 118 Ca -0.03 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.11 1nwg n TRP 118 Cb 0.10 -0.01 0.01 0.00 -2.42 0.00 0.00 31.31 28.98 1nwg n TRP 118 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1nwg s ARG 119 N -2.04 3.25 -0.54 -0.99 3.52 -0.97 -4.83 118.95 116.35 1nwg s ARG 119 Ca 0.42 1.51 -0.25 0.00 -0.13 0.00 0.00 55.73 57.28 1nwg s ARG 119 Cb 0.21 -2.00 0.04 0.00 -1.56 0.00 0.00 34.95 31.64 1nwg s ARG 119 CO 0.36 -0.91 0.97 0.00 -0.81 0.00 0.00 175.30 174.91 1nwg n GLU 121 N 7.55 0.76 -3.70 0.00 -0.58 -1.26 -4.91 120.64 118.50 1nwg n GLU 121 Ca 0.03 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.40 1nwg n GLU 121 Cb 0.48 -1.12 -0.06 0.00 -0.57 0.00 0.00 31.44 30.17 1nwg n GLU 121 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1nwg s LYS 122 N 0.43 3.74 0.00 3.49 -0.14 -1.26 -5.23 119.74 120.78 1nwg s LYS 122 Ca 0.00 0.09 0.29 0.00 -1.36 0.00 0.00 55.97 54.99 1nwg s LYS 122 Cb 0.00 -3.24 1.28 0.00 -1.68 0.00 0.00 37.83 34.19 1nwg s LYS 122 CO 0.00 0.66 1.87 -2.30 -0.76 0.00 0.00 175.35 174.83