#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 3.49 0.70 -2.82 2.02 -1.26 -1.12 118.70 119.71 1nwg s GLU 2 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 54.97 54.94 1nwg s GLU 2 Cb 0.00 -3.91 0.08 0.00 0.10 0.00 0.00 34.13 30.40 1nwg s GLU 2 CO 0.00 -1.06 0.99 -0.51 0.02 0.00 0.00 175.26 174.70 1nwg s LEU 3 N 3.28 2.91 0.39 1.80 1.43 -0.49 -4.99 118.68 123.01 1nwg s LEU 3 Ca 0.31 0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.74 1nwg s LEU 3 Cb -0.12 -2.86 -0.00 0.00 0.03 0.00 0.00 46.19 43.23 1nwg s LEU 3 CO 0.22 -1.64 0.49 0.42 0.23 0.00 0.00 176.35 176.06 1nwg s THR 4 N -3.20 3.23 0.19 5.49 -4.23 -1.26 -4.80 115.64 111.06 1nwg s THR 4 Ca 0.61 -1.10 -0.12 0.00 -1.18 0.00 0.00 61.69 59.91 1nwg s THR 4 Cb -0.09 -3.11 0.10 0.00 1.34 0.00 0.00 72.50 70.74 1nwg s THR 4 CO 0.44 -0.05 1.83 0.50 -0.54 0.00 0.00 174.62 176.80 1nwg h LYS 5 N 0.82 0.70 -0.34 3.99 3.64 -1.99 -2.12 116.57 121.28 1nwg h LYS 5 Ca -0.42 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 58.83 1nwg h LYS 5 Cb 1.27 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1nwg h LYS 5 CO 0.50 0.46 -0.15 0.00 -2.27 0.00 0.00 179.45 178.00 1nwg h LYS 7 N 0.55 0.13 -0.06 0.00 1.63 -1.88 -0.53 116.57 116.41 1nwg h LYS 7 Ca 0.09 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1nwg h LYS 7 Cb 0.57 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1nwg h LYS 7 CO 0.04 0.26 0.03 0.28 -3.45 0.00 0.00 179.45 176.60 1nwg h VAL 8 N -0.03 1.00 -0.42 2.00 2.07 -1.13 -2.05 116.25 117.69 1nwg h VAL 8 Ca 0.03 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.61 1nwg h VAL 8 Cb 0.18 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 1nwg h VAL 8 CO -0.00 0.01 -0.11 0.28 0.02 0.00 0.00 177.57 177.77 1nwg h SER 9 N 0.06 -0.40 0.34 0.57 0.02 -0.71 -1.72 113.55 111.71 1nwg h SER 9 Ca 0.02 0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1nwg h SER 9 Cb -0.00 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1nwg h SER 9 CO -0.01 -0.14 -0.37 0.45 -1.14 0.00 0.00 176.83 175.61 1nwg h HIS 10 N -0.00 0.07 -0.01 3.45 -0.00 -0.91 -3.12 115.15 114.62 1nwg h HIS 10 Ca 0.20 -0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.44 1nwg h HIS 10 Cb 0.31 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 1nwg h HIS 10 CO -0.37 0.43 -0.56 0.00 -0.00 0.00 0.00 177.93 177.42 1nwg h ALA 11 N 1.57 1.05 -0.60 2.45 0.00 -0.60 -3.27 119.26 119.87 1nwg h ALA 11 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nwg h ALA 11 Cb 0.69 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1nwg h ALA 11 CO 0.05 0.70 0.00 0.44 0.00 0.00 0.00 179.25 180.44 1nwg n ILE 12 N -3.88 0.84 -0.70 0.00 -5.35 -0.88 -4.66 119.36 104.73 1nwg n ILE 12 Ca -0.01 -0.92 0.53 0.00 -0.27 0.00 0.00 62.75 62.08 1nwg n ILE 12 Cb 0.57 0.65 0.82 0.00 -1.74 0.00 0.00 39.64 39.94 1nwg n ILE 12 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1nwg n LYS 13 N 1.52 0.00 -0.03 6.28 5.02 -1.20 0.28 118.16 130.04 1nwg n LYS 13 Ca 0.22 1.08 0.09 0.00 -2.02 0.00 0.00 58.31 57.68 1nwg n LYS 13 Cb 0.60 -2.51 0.44 0.00 -0.02 0.00 0.00 35.03 33.54 1nwg n LYS 13 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1nwg n ASP 14 N -3.90 0.48 -0.01 4.39 4.64 -1.26 -2.53 116.55 118.36 1nwg n ASP 14 Ca 0.44 -1.57 0.06 0.00 -1.38 0.00 0.00 54.79 52.34 1nwg n ASP 14 Cb 2.02 -0.03 -0.07 0.00 -1.04 0.00 0.00 41.12 41.99 1nwg n ASP 14 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1nwg n ILE 15 N -0.44 0.00 -1.68 5.18 3.06 0.14 -4.86 119.36 120.77 1nwg n ILE 15 Ca 0.13 -0.21 -0.48 0.00 -2.50 0.00 0.00 62.75 59.69 1nwg n ILE 15 Cb 0.13 1.01 -0.05 0.00 0.54 0.00 0.00 39.64 41.27 1nwg n ILE 15 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1nwg n ASP 16 N -1.25 3.30 0.00 9.51 2.03 -1.05 -0.87 116.55 128.22 1nwg n ASP 16 Ca 0.03 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.34 1nwg n ASP 16 Cb 0.20 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.22 1nwg n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nwg n GLY 17 N 4.09 3.02 3.73 0.27 0.00 0.35 -4.96 105.19 111.69 1nwg n GLY 17 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.63 -1.01 1.61 9.36 -0.05 -1.14 117.16 126.56 1nwg n TYR 18 Ca 0.00 0.44 -0.06 0.00 3.32 0.00 0.00 57.90 61.59 1nwg n TYR 18 Cb 0.00 -2.50 -0.03 0.00 -0.63 0.00 0.00 39.34 36.18 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 1.04 -1.70 0.00 2.98 -0.06 -1.26 -1.24 117.38 117.14 1nwg n GLN 19 Ca 0.05 0.57 0.00 0.00 -2.00 0.00 0.00 57.00 55.62 1nwg n GLN 19 Cb 0.37 -4.62 0.00 0.00 -4.06 0.00 0.00 30.24 21.93 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 0.27 0.95 3.64 1.69 0.00 -0.29 -5.00 105.19 106.45 1nwg n GLY 20 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.27 4.84 0.79 -0.61 -1.09 -0.37 -4.82 121.20 117.66 1nwg s ILE 21 Ca 0.00 1.58 -0.11 0.00 -2.23 0.00 0.00 60.65 59.89 1nwg s ILE 21 Cb 0.00 -4.12 0.08 0.00 -1.58 0.00 0.00 42.46 36.84 1nwg s ILE 21 CO 0.00 -0.07 1.14 -0.94 -1.23 0.00 0.00 174.94 173.85 1nwg s SER 22 N 1.32 4.55 0.21 3.58 1.04 -1.26 -0.50 113.70 122.64 1nwg s SER 22 Ca 0.35 0.69 -0.10 0.00 0.48 0.00 0.00 55.95 57.37 1nwg s SER 22 Cb -0.15 -1.21 0.20 0.00 0.10 0.00 0.00 66.02 64.96 1nwg s SER 22 CO 0.08 -1.85 1.85 -0.07 0.98 0.00 0.00 173.24 174.23 1nwg h LEU 23 N -0.96 0.74 -0.96 2.42 3.38 -1.92 -1.71 115.31 116.29 1nwg h LEU 23 Ca -0.46 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1nwg h LEU 23 Cb 1.32 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1nwg h LEU 23 CO 0.64 0.51 0.48 -0.07 0.09 0.00 0.00 178.44 180.09 1nwg h LEU 24 N 0.88 1.08 -0.44 1.67 3.38 -1.92 -0.15 115.31 119.80 1nwg h LEU 24 Ca 0.29 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1nwg h LEU 24 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1nwg h LEU 24 CO -0.11 0.86 -0.15 -0.33 0.09 0.00 0.00 178.44 178.80 1nwg h GLU 25 N 1.21 0.88 -0.64 1.13 5.08 -1.80 -2.64 114.58 117.81 1nwg h GLU 25 Ca 0.31 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1nwg h GLU 25 Cb 0.02 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1nwg h GLU 25 CO -0.05 1.00 0.14 -1.49 -1.00 0.00 0.00 179.01 177.62 1nwg h TRP 26 N 0.71 1.05 -0.72 4.33 4.06 -0.80 0.14 115.95 124.72 1nwg h TRP 26 Ca 0.11 -0.12 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1nwg h TRP 26 Cb 0.71 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 1nwg h TRP 26 CO 0.05 0.87 0.31 0.00 -3.56 0.00 0.00 178.44 176.12 1nwg h ALA 27 N 1.19 1.20 0.40 1.49 0.00 -0.96 0.16 119.26 122.75 1nwg h ALA 27 Ca 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nwg h ALA 27 Cb 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nwg h ALA 27 CO 0.00 0.59 -0.19 0.00 0.00 0.00 0.00 179.25 179.65 1nwg h VAL 29 N -0.96 0.54 -0.91 0.00 2.07 -0.52 -1.15 116.25 115.32 1nwg h VAL 29 Ca -0.06 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1nwg h VAL 29 Cb 0.55 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1nwg h VAL 29 CO 0.09 0.01 0.53 -0.07 0.02 0.00 0.00 177.57 178.15 1nwg h LEU 30 N 0.07 1.10 -0.32 2.57 3.38 -0.73 0.32 115.31 121.71 1nwg h LEU 30 Ca 0.26 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1nwg h LEU 30 Cb 0.41 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1nwg h LEU 30 CO -0.48 0.86 0.16 0.15 0.09 0.00 0.00 178.44 179.23 1nwg h PHE 31 N 1.26 0.31 -0.00 1.13 3.57 -0.67 -0.27 116.94 122.26 1nwg h PHE 31 Ca 0.32 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1nwg h PHE 31 Cb -0.02 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1nwg h PHE 31 CO 0.01 0.17 -0.01 0.72 -2.23 0.00 0.00 178.31 176.97 1nwg n HIS 32 N -4.94 0.00 -0.05 0.41 8.25 -0.81 -1.62 115.22 116.46 1nwg n HIS 32 Ca -0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1nwg n HIS 32 Cb 0.07 -0.49 -0.13 0.00 1.12 0.00 0.00 29.99 30.56 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 -1.50 1.67 -0.95 1.59 -1.04 0.11 -4.79 114.28 109.37 1nwg n THR 33 Ca 0.07 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1nwg n THR 33 Cb 0.34 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 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 -3.57 0.05 -1.69 8.00 3.41 -0.18 -4.86 113.62 114.78 1nwg n SER 34 Ca -0.37 -1.00 -0.14 0.00 -0.26 0.00 0.00 58.87 57.10 1nwg n SER 34 Cb 0.99 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.94 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 -0.00 -0.20 2.72 5.00 0.00 -0.64 -1.95 105.19 110.12 1nwg n GLY 35 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.03 0.00 -2.68 1.61 4.01 -1.25 -4.72 117.16 110.11 1nwg n TYR 36 Ca -0.15 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.16 1nwg n TYR 36 Cb 0.62 -1.98 -0.03 0.00 -0.31 0.00 0.00 39.34 37.64 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 -2.23 6.32 0.49 7.72 -1.08 -0.82 -1.39 116.67 125.68 1nwg s ASP 37 Ca 0.00 -0.28 0.28 0.00 -0.52 0.00 0.00 52.55 52.02 1nwg s ASP 37 Cb 0.00 -2.50 1.50 0.00 -1.46 0.00 0.00 42.92 40.45 1nwg s ASP 37 CO 0.00 -1.48 1.82 0.71 0.52 0.00 0.00 175.17 176.74 1nwg h THR 38 N 6.07 0.00 -0.46 1.71 1.35 -1.45 -1.67 112.91 118.45 1nwg h THR 38 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1nwg h THR 38 Cb 1.06 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1nwg h THR 38 CO 1.18 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.45 1nwg n GLN 39 N -2.57 2.97 -1.76 4.72 6.02 -1.26 -4.03 117.38 121.47 1nwg n GLN 39 Ca -0.02 -2.39 -0.41 0.00 -0.01 0.00 0.00 57.00 54.17 1nwg n GLN 39 Cb 0.19 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 1nwg n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nwg s ALA 40 N -1.33 3.74 -0.13 -1.58 0.00 -0.63 -4.73 121.76 117.10 1nwg s ALA 40 Ca 0.35 1.59 -0.04 0.00 0.00 0.00 0.00 51.96 53.86 1nwg s ALA 40 Cb 0.20 -3.65 0.05 0.00 0.00 0.00 0.00 23.12 19.72 1nwg s ALA 40 CO 0.20 -1.01 0.06 0.08 0.00 0.00 0.00 175.76 175.09 1nwg s VAL 41 N -0.10 0.06 -0.15 0.00 1.01 -1.26 -0.06 120.40 119.89 1nwg s VAL 41 Ca 0.63 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1nwg s VAL 41 Cb -0.48 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1nwg s VAL 41 CO 0.50 -0.10 -0.17 -0.69 0.00 0.00 0.00 175.10 174.64 1nwg s VAL 42 N 2.08 1.74 -0.20 2.92 1.01 -0.73 -4.98 120.40 122.24 1nwg s VAL 42 Ca 0.03 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1nwg s VAL 42 Cb -0.15 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.66 1nwg s VAL 42 CO -0.07 0.49 -0.16 0.21 0.00 0.00 0.00 175.10 175.57 1nwg s ASN 43 N 1.33 3.59 -0.08 3.32 3.84 -1.26 -0.27 114.94 125.40 1nwg s ASN 43 Ca 0.03 -0.79 -0.25 0.00 0.21 0.00 0.00 52.86 52.06 1nwg s ASN 43 Cb -0.13 -1.53 0.06 0.00 -0.55 0.00 0.00 41.25 39.09 1nwg s ASN 43 CO -0.10 -0.05 0.59 1.51 -2.79 0.00 0.00 177.10 176.26 1nwg s ASP 44 N 1.28 -0.56 -0.98 -4.21 -4.77 -0.84 -4.92 116.67 101.66 1nwg s ASP 44 Ca 0.02 0.71 -0.01 0.00 -3.30 0.00 0.00 52.55 49.96 1nwg s ASP 44 Cb -0.15 0.66 0.00 0.00 -1.09 0.00 0.00 42.92 42.34 1nwg s ASP 44 CO -0.10 -0.48 0.17 -3.20 0.70 0.00 0.00 175.17 172.26 1nwg n ASN 45 N 1.41 -4.04 -0.83 2.11 4.05 -1.26 -3.13 115.26 113.57 1nwg n ASN 45 Ca -0.18 -0.09 -0.11 0.00 0.45 0.00 0.00 54.58 54.65 1nwg n ASN 45 Cb 0.56 -3.10 -0.05 0.00 1.23 0.00 0.00 39.78 38.43 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 -1.10 1.18 3.20 8.20 0.00 -1.26 -5.01 105.19 110.40 1nwg n GLY 46 Ca -0.11 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 1nwg n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nwg s SER 47 N -2.88 0.08 -0.06 1.61 1.04 -1.18 -5.00 113.70 107.31 1nwg s SER 47 Ca 0.00 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 55.91 1nwg s SER 47 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1nwg s SER 47 CO 0.00 -0.68 -0.17 -0.89 0.98 0.00 0.00 173.24 172.47 1nwg s THR 48 N -3.48 1.49 -0.16 2.02 2.01 -1.26 -1.98 115.64 114.28 1nwg s THR 48 Ca 0.02 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 1nwg s THR 48 Cb 0.03 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1nwg s THR 48 CO -0.09 0.43 0.13 -1.61 -0.69 0.00 0.00 174.62 172.79 1nwg s GLU 49 N 0.22 3.79 0.06 4.92 2.02 0.63 -1.37 118.70 128.98 1nwg s GLU 49 Ca -0.09 -0.19 0.09 0.00 0.02 0.00 0.00 54.97 54.81 1nwg s GLU 49 Cb -0.14 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 1nwg s GLU 49 CO 0.04 0.53 -0.26 0.71 0.02 0.00 0.00 175.26 176.30 1nwg s TYR 50 N -0.32 2.27 0.00 1.61 1.51 0.04 -1.77 117.35 120.68 1nwg s TYR 50 Ca 0.11 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1nwg s TYR 50 Cb -0.12 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1nwg s TYR 50 CO 0.01 0.17 0.00 0.41 -1.11 0.00 0.00 175.55 175.03 1nwg n GLY 51 N 1.59 -0.22 0.27 0.71 0.00 0.91 -1.02 105.19 107.42 1nwg n GLY 51 Ca -0.17 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.17 -0.48 0.99 5.85 -1.70 -0.40 115.31 119.41 1nwg h LEU 52 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1nwg h LEU 52 Cb 0.00 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1nwg h LEU 52 CO 0.00 -0.11 -0.23 0.49 -0.34 0.00 0.00 178.44 178.25 1nwg n PHE 53 N -5.25 0.00 -3.74 1.25 3.72 -1.26 -4.15 117.46 108.03 1nwg n PHE 53 Ca 0.13 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.28 1nwg n PHE 53 Cb 0.46 -0.13 0.02 0.00 -0.94 0.00 0.00 39.48 38.90 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 -0.66 -3.01 -2.62 -1.08 1.13 -0.16 -4.89 117.38 106.09 1nwg n GLN 54 Ca 0.13 0.52 -0.42 0.00 -1.94 0.00 0.00 57.00 55.28 1nwg n GLN 54 Cb 0.34 -4.66 -0.03 0.00 0.11 0.00 0.00 30.24 26.00 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 -3.66 4.62 0.44 5.09 1.01 -0.19 -4.33 121.20 124.18 1nwg s ILE 55 Ca 0.19 1.89 -0.21 0.00 0.00 0.00 0.00 60.65 62.53 1nwg s ILE 55 Cb -0.06 -4.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 1nwg s ILE 55 CO 0.85 0.06 0.97 -0.55 0.00 0.00 0.00 174.94 176.26 1nwg s SER 56 N 1.15 6.80 0.00 3.58 0.15 -1.26 -0.78 113.70 123.33 1nwg s SER 56 Ca 0.52 1.74 0.28 0.00 0.70 0.00 0.00 55.95 59.19 1nwg s SER 56 Cb -0.21 -2.54 1.00 0.00 -1.71 0.00 0.00 66.02 62.55 1nwg s SER 56 CO 0.23 -0.46 1.71 -0.90 1.20 0.00 0.00 173.24 175.03 1nwg n ASP 57 N -0.73 1.21 0.16 5.45 5.68 -0.47 -2.93 116.55 124.92 1nwg n ASP 57 Ca 0.07 -1.22 0.05 0.00 -0.50 0.00 0.00 54.79 53.20 1nwg n ASP 57 Cb 0.54 0.04 0.49 0.00 -1.14 0.00 0.00 41.12 41.04 1nwg n ASP 57 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1nwg h ARG 58 N 1.76 0.18 0.00 0.11 2.43 -1.83 -3.40 114.38 113.63 1nwg h ARG 58 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1nwg h ARG 58 Cb 0.47 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1nwg h ARG 58 CO 0.00 0.23 0.00 1.19 -1.51 0.00 0.00 179.97 179.88 1nwg n PHE 59 N -4.39 0.00 0.05 2.20 3.72 -1.25 -4.58 117.46 113.20 1nwg n PHE 59 Ca -0.01 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.18 1nwg n PHE 59 Cb 0.18 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.57 1nwg n PHE 59 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 1nwg h TRP 60 N 0.00 0.59 -3.89 1.38 4.06 -1.73 0.21 115.95 116.56 1nwg h TRP 60 Ca 0.00 -0.43 -0.22 0.00 2.06 0.00 0.00 58.89 60.29 1nwg h TRP 60 Cb 0.00 -0.02 -0.16 0.00 -1.00 0.00 0.00 29.16 27.97 1nwg h TRP 60 CO 0.00 1.65 -0.70 0.00 -3.56 0.00 0.00 178.44 175.82 1nwg s LYS 62 N -3.25 4.16 0.12 0.00 2.20 -0.70 -4.55 119.74 117.72 1nwg s LYS 62 Ca 0.06 0.49 0.08 0.00 -0.36 0.00 0.00 55.97 56.24 1nwg s LYS 62 Cb 0.01 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1nwg s LYS 62 CO -0.04 -0.28 -0.15 -1.54 -0.36 0.00 0.00 175.35 172.99 1nwg s SER 63 N 1.31 4.07 0.46 1.43 1.04 -1.26 -1.19 113.70 119.57 1nwg s SER 63 Ca 0.25 -0.51 0.23 0.00 0.48 0.00 0.00 55.95 56.40 1nwg s SER 63 Cb -0.16 -0.65 1.14 0.00 0.10 0.00 0.00 66.02 66.45 1nwg s SER 63 CO 0.09 0.17 1.95 0.77 0.98 0.00 0.00 173.24 177.20 1nwg h SER 64 N 3.59 0.00 -0.23 7.02 4.64 -1.97 -0.51 113.55 126.09 1nwg h SER 64 Ca -0.49 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.72 1nwg h SER 64 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1nwg h SER 64 CO 0.49 0.21 -0.26 1.05 -0.87 0.00 0.00 176.83 177.45 1nwg h GLU 65 N 0.00 0.59 -2.13 4.77 4.11 -2.02 -3.32 114.58 116.57 1nwg h GLU 65 Ca -0.00 -0.32 -0.57 0.00 0.07 0.00 0.00 59.36 58.53 1nwg h GLU 65 Cb 0.52 0.02 -0.42 0.00 0.50 0.00 0.00 28.75 29.37 1nwg h GLU 65 CO 0.03 0.92 -0.73 0.34 0.07 0.00 0.00 179.01 179.64 1nwg n PHE 66 N -4.35 3.47 0.19 2.06 7.35 -1.10 -5.00 117.46 120.09 1nwg n PHE 66 Ca -0.05 -3.84 0.00 0.00 -0.76 0.00 0.00 57.45 52.80 1nwg n PHE 66 Cb 0.45 -0.43 0.00 0.00 0.35 0.00 0.00 39.48 39.85 1nwg n PHE 66 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1nwg n PRO 67 N -0.21 0.02 -3.07 -7.13 -0.04 -0.22 -3.93 135.00 120.42 1nwg n PRO 67 Ca 0.31 0.55 -0.17 0.00 -0.04 0.00 0.00 63.50 64.15 1nwg n PRO 67 Cb 0.47 -1.81 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 1nwg n PRO 67 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1nwg n GLU 68 N -1.71 0.47 -0.46 0.54 2.13 -1.26 -4.82 120.64 115.53 1nwg n GLU 68 Ca 0.00 -2.62 0.00 0.00 0.66 0.00 0.00 57.16 55.20 1nwg n GLU 68 Cb 0.66 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.87 1nwg n GLU 68 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1nwg n SER 69 N 2.45 0.00 0.17 4.31 3.41 -1.25 -4.97 113.62 117.75 1nwg n SER 69 Ca 0.22 -0.64 0.13 0.00 -0.26 0.00 0.00 58.87 58.32 1nwg n SER 69 Cb 0.54 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.79 1nwg n SER 69 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1nwg h GLU 70 N 0.00 0.00 -6.48 4.33 3.07 -1.81 -3.47 114.58 110.23 1nwg h GLU 70 Ca 0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.36 1nwg h GLU 70 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.85 1nwg h GLU 70 CO 0.00 0.00 -0.88 -1.71 -1.40 0.00 0.00 179.01 175.02 1nwg n ASN 71 N -2.72 -0.70 -0.30 1.42 4.05 -0.33 -4.78 115.26 111.90 1nwg n ASN 71 Ca 0.04 -0.99 0.27 0.00 0.45 0.00 0.00 54.58 54.36 1nwg n ASN 71 Cb 0.46 -3.14 0.61 0.00 1.23 0.00 0.00 39.78 38.95 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 -1.82 0.50 0.00 -1.44 2.04 -0.89 0.12 117.51 116.01 1nwg h ILE 72 Ca -0.63 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1nwg h ILE 72 Cb 1.37 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1nwg h ILE 72 CO 0.63 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.82 1nwg n GLY 74 N 0.70 0.30 3.28 0.00 0.00 0.40 -4.93 105.19 104.93 1nwg n GLY 74 Ca 0.03 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.13 0.06 0.13 -0.61 2.07 -1.26 -5.08 121.20 113.38 1nwg s ILE 75 Ca 0.17 -0.50 -0.30 0.00 -1.41 0.00 0.00 60.65 58.61 1nwg s ILE 75 Cb -0.07 -0.83 -0.06 0.00 0.13 0.00 0.00 42.46 41.62 1nwg s ILE 75 CO 0.29 -0.28 1.04 -0.55 -1.91 0.00 0.00 174.94 173.53 1nwg s SER 76 N -1.73 7.37 0.55 4.50 0.15 -1.26 -1.73 113.70 121.54 1nwg s SER 76 Ca -0.08 1.92 0.27 0.00 0.70 0.00 0.00 55.95 58.75 1nwg s SER 76 Cb -0.02 -2.59 1.45 0.00 -1.71 0.00 0.00 66.02 63.14 1nwg s SER 76 CO 0.00 -0.17 1.99 0.00 1.20 0.00 0.00 173.24 176.26 1nwg n ASP 78 N -4.20 0.47 0.23 0.00 8.00 -1.26 -1.63 116.55 118.15 1nwg n ASP 78 Ca 0.09 0.63 0.15 0.00 0.71 0.00 0.00 54.79 56.37 1nwg n ASP 78 Cb 0.60 -0.72 0.50 0.00 -0.02 0.00 0.00 41.12 41.48 1nwg n ASP 78 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1nwg h LYS 79 N 0.00 0.00 -0.78 -1.24 1.79 -0.97 -2.88 116.57 112.48 1nwg h LYS 79 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1nwg h LYS 79 Cb 0.28 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 1nwg h LYS 79 CO 0.00 0.00 0.06 1.28 -1.08 0.00 0.00 179.45 179.71 1nwg n LEU 80 N -2.90 4.12 -0.19 2.94 4.77 -0.65 -4.02 117.00 121.07 1nwg n LEU 80 Ca 0.02 -2.11 0.06 0.00 -0.03 0.00 0.00 56.01 53.95 1nwg n LEU 80 Cb 0.36 -0.63 0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1nwg n LEU 80 CO 0.28 0.54 0.46 0.18 -1.33 0.00 0.00 177.39 177.52 1nwg n LEU 81 N 0.25 1.56 0.00 2.23 4.77 -1.09 -3.30 117.00 121.42 1nwg n LEU 81 Ca 0.20 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 1nwg n LEU 81 Cb 0.89 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1nwg n LEU 81 CO 0.23 0.54 0.00 -0.90 -1.33 0.00 0.00 177.39 175.92 1nwg n ASP 82 N -0.91 1.41 -1.02 -1.43 5.68 -1.26 -4.65 116.55 114.37 1nwg n ASP 82 Ca 0.10 -0.79 0.12 0.00 -0.50 0.00 0.00 54.79 53.71 1nwg n ASP 82 Cb 0.63 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.85 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 -1.25 3.07 -4.42 -1.12 8.00 -1.26 -4.76 116.55 114.81 1nwg n ASP 83 Ca 0.00 -1.94 -0.44 0.00 0.71 0.00 0.00 54.79 53.12 1nwg n ASP 83 Cb 0.00 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 40.83 1nwg n ASP 83 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1nwg s GLU 84 N -1.57 3.09 0.00 -1.24 2.02 -1.26 -4.92 118.70 114.81 1nwg s GLU 84 Ca 0.37 -1.07 0.29 0.00 0.02 0.00 0.00 54.97 54.57 1nwg s GLU 84 Cb 0.22 -4.17 1.18 0.00 0.10 0.00 0.00 34.13 31.46 1nwg s GLU 84 CO 0.30 -1.36 1.88 1.28 0.02 0.00 0.00 175.26 177.39 1nwg n LEU 85 N 6.24 0.06 -0.01 1.80 4.32 -1.26 -4.35 117.00 123.81 1nwg n LEU 85 Ca -0.08 0.42 -0.09 0.00 -0.02 0.00 0.00 56.01 56.24 1nwg n LEU 85 Cb 0.44 -0.45 -0.04 0.00 -1.62 0.00 0.00 43.42 41.75 1nwg n LEU 85 CO 0.56 0.02 0.82 0.44 -1.22 0.00 0.00 177.39 178.01 1nwg h ASP 86 N 0.01 -0.20 -0.59 -1.43 5.19 -1.93 -0.52 116.42 116.96 1nwg h ASP 86 Ca 0.00 0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.41 1nwg h ASP 86 Cb 0.48 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1nwg h ASP 86 CO 0.00 -0.08 0.15 -2.24 -3.12 0.00 0.00 179.24 173.95 1nwg h ASP 87 N -0.04 0.88 -0.57 6.45 3.04 -1.94 0.12 116.42 124.36 1nwg h ASP 87 Ca 0.07 -0.23 0.10 0.00 -3.24 0.00 0.00 57.03 53.73 1nwg h ASP 87 Cb 0.15 -0.23 -0.08 0.00 -1.04 0.00 0.00 39.33 38.13 1nwg h ASP 87 CO -0.16 0.88 0.14 0.44 -2.04 0.00 0.00 179.24 178.50 1nwg h ASP 88 N 0.84 0.05 -0.31 4.15 3.32 -1.73 0.42 116.42 123.17 1nwg h ASP 88 Ca 0.19 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 1nwg h ASP 88 Cb 0.33 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1nwg h ASP 88 CO 0.00 0.04 0.00 0.40 -1.72 0.00 0.00 179.24 177.96 1nwg h ILE 89 N 0.28 1.26 -0.98 0.35 2.04 -0.72 0.34 117.51 120.09 1nwg h ILE 89 Ca 0.29 -0.94 0.06 0.00 1.00 0.00 0.00 64.86 65.27 1nwg h ILE 89 Cb 0.41 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 1nwg h ILE 89 CO -0.36 0.31 0.63 0.00 0.00 0.00 0.00 178.15 178.73 1nwg h ALA 90 N 0.84 1.35 0.03 1.87 0.00 0.30 -1.21 119.26 122.45 1nwg h ALA 90 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nwg h ALA 90 Cb 0.44 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1nwg h ALA 90 CO 0.02 0.42 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 1nwg h ALA 92 N 0.46 1.31 -0.99 0.00 0.00 -0.65 0.30 119.26 119.69 1nwg h ALA 92 Ca -0.00 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1nwg h ALA 92 Cb 0.45 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1nwg h ALA 92 CO 0.01 -0.19 0.66 0.87 0.00 0.00 0.00 179.25 180.60 1nwg h LYS 93 N 0.53 1.30 -0.44 0.00 1.57 -1.19 0.44 116.57 118.78 1nwg h LYS 93 Ca 0.49 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1nwg h LYS 93 Cb 0.79 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1nwg h LYS 93 CO -0.42 0.86 0.26 0.87 -0.57 0.00 0.00 179.45 180.45 1nwg h LYS 94 N 1.34 0.61 -0.34 3.15 1.79 -0.88 0.76 116.57 123.01 1nwg h LYS 94 Ca 0.36 -0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.79 1nwg h LYS 94 Cb -0.15 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.35 1nwg h LYS 94 CO -0.08 0.47 0.18 0.82 -1.08 0.00 0.00 179.45 179.76 1nwg h ILE 95 N 0.58 1.00 -0.77 1.86 2.04 0.14 0.20 117.51 122.56 1nwg h ILE 95 Ca 0.16 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1nwg h ILE 95 Cb 0.02 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1nwg h ILE 95 CO -0.03 0.07 0.49 -0.07 0.00 0.00 0.00 178.15 178.61 1nwg h LEU 96 N 0.37 0.91 -0.85 1.44 3.38 0.30 0.43 115.31 121.29 1nwg h LEU 96 Ca 0.14 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1nwg h LEU 96 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1nwg h LEU 96 CO -0.08 0.68 -0.55 0.00 0.09 0.00 0.00 178.44 178.57 1nwg h ALA 97 N 1.26 1.02 0.00 1.53 0.00 -0.47 -1.90 119.26 120.71 1nwg h ALA 97 Ca 0.28 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1nwg h ALA 97 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1nwg h ALA 97 CO -0.06 0.69 -0.91 -0.89 0.00 0.00 0.00 179.25 178.08 1nwg n ILE 98 N -3.79 1.46 -0.07 0.00 5.41 0.66 -4.76 119.36 118.28 1nwg n ILE 98 Ca -0.01 0.11 -0.15 0.00 1.00 0.00 0.00 62.75 63.70 1nwg n ILE 98 Cb 0.58 -2.28 -0.14 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 -4.52 0.68 0.00 0.38 4.81 0.14 -5.08 118.16 114.57 1nwg n LYS 99 Ca -0.17 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1nwg n LYS 99 Cb 0.44 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.87 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 1.93 0.68 0.26 3.14 0.00 -0.40 -4.67 105.19 106.13 1nwg n GLY 100 Ca -0.33 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 43.67 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 0.98 0.00 -0.61 6.09 -1.88 -2.47 117.51 119.62 1nwg h ILE 101 Ca 0.00 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1nwg h ILE 101 Cb 0.00 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.37 1nwg h ILE 101 CO 0.00 0.04 0.00 0.47 -3.07 0.00 0.00 178.15 175.59 1nwg n ASP 102 N -4.41 0.00 -0.05 2.19 10.43 -1.26 0.41 116.55 123.86 1nwg n ASP 102 Ca -0.03 0.31 0.00 0.00 2.57 0.00 0.00 54.79 57.64 1nwg n ASP 102 Cb 0.13 -0.33 0.29 0.00 1.84 0.00 0.00 41.12 43.05 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 0.64 -2.80 1.24 3.20 -1.74 -3.34 116.97 114.17 1nwg h TYR 103 Ca 0.00 -0.04 -0.68 0.00 3.14 0.00 0.00 58.73 61.15 1nwg h TYR 103 Cb 0.01 -0.20 -0.18 0.00 1.54 0.00 0.00 36.73 37.91 1nwg h TYR 103 CO 0.00 0.55 0.34 -1.58 -1.64 0.00 0.00 178.16 175.82 1nwg s TRP 104 N -5.19 2.94 -0.08 -3.82 0.51 0.17 -4.90 118.94 108.56 1nwg s TRP 104 Ca -0.08 -0.92 0.29 0.00 -2.12 0.00 0.00 56.10 53.26 1nwg s TRP 104 Cb 0.16 -4.13 1.36 0.00 -0.81 0.00 0.00 33.47 30.05 1nwg s TRP 104 CO 0.77 -1.42 1.87 0.87 -0.51 0.00 0.00 176.95 178.53 1nwg h LYS 105 N 9.21 0.00 0.00 4.98 1.57 -1.81 -2.11 116.57 128.41 1nwg h LYS 105 Ca -0.22 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 1nwg h LYS 105 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1nwg h LYS 105 CO 1.11 0.00 -0.23 0.00 -0.57 0.00 0.00 179.45 179.77 1nwg h ALA 106 N 2.09 1.03 0.41 3.86 0.00 -1.90 -3.35 119.26 121.41 1nwg h ALA 106 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1nwg h ALA 106 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1nwg h ALA 106 CO 0.00 0.28 -0.38 -0.92 0.00 0.00 0.00 179.25 178.23 1nwg h TYR 107 N 0.00 -1.02 0.33 0.00 3.20 -1.72 -2.64 116.97 115.12 1nwg h TYR 107 Ca -0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1nwg h TYR 107 Cb 0.73 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1nwg h TYR 107 CO 0.00 -0.53 -0.16 -0.22 -1.64 0.00 0.00 178.16 175.61 1nwg h LYS 108 N -0.80 -0.43 -0.32 1.82 3.64 -1.77 -2.03 116.57 116.68 1nwg h LYS 108 Ca -0.04 0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1nwg h LYS 108 Cb 0.71 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1nwg h LYS 108 CO -0.04 -0.28 -0.49 -1.00 -2.27 0.00 0.00 179.45 175.37 1nwg h PRO 109 N -0.46 0.89 0.00 1.90 0.13 -1.76 -3.33 132.00 129.37 1nwg h PRO 109 Ca -0.05 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1nwg h PRO 109 Cb 0.35 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1nwg h PRO 109 CO 0.08 1.17 -1.31 -1.33 -0.23 0.00 0.00 178.00 176.37 1nwg n MET 110 N -4.02 0.21 -0.78 0.86 2.81 -1.00 -4.61 117.12 110.60 1nwg n MET 110 Ca -0.03 -0.06 0.06 0.00 -1.81 0.00 0.00 57.70 55.85 1nwg n MET 110 Cb 0.60 -1.51 0.17 0.00 -0.71 0.00 0.00 33.22 31.77 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 -0.79 0.59 -3.94 0.00 7.64 -1.25 -4.90 113.62 110.96 1nwg n SER 112 Ca 0.16 -0.08 -0.10 0.00 1.01 0.00 0.00 58.87 59.87 1nwg n SER 112 Cb 0.78 0.84 -0.05 0.00 -1.01 0.00 0.00 64.21 64.77 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 -3.26 1.57 -1.14 1.43 -1.05 -1.26 -4.97 118.70 110.02 1nwg s GLU 113 Ca 0.02 -1.31 -0.06 0.00 -0.15 0.00 0.00 54.97 53.47 1nwg s GLU 113 Cb 0.13 0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 34.25 1nwg s GLU 113 CO 0.81 -0.65 0.88 1.63 0.95 0.00 0.00 175.26 178.88 1nwg n LYS 114 N -0.39 -3.54 0.02 -4.83 5.02 -1.26 -4.93 118.16 108.24 1nwg n LYS 114 Ca -0.01 0.76 -0.12 0.00 -2.02 0.00 0.00 58.31 56.91 1nwg n LYS 114 Cb 0.62 -5.47 -0.14 0.00 -0.02 0.00 0.00 35.03 30.02 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 -1.53 0.16 -1.54 -0.35 3.38 -1.94 -3.37 115.31 110.13 1nwg h LEU 115 Ca -0.61 -0.27 0.25 0.00 0.09 0.00 0.00 57.88 57.33 1nwg h LEU 115 Cb 1.33 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 1nwg h LEU 115 CO 0.48 1.23 0.66 -0.08 0.09 0.00 0.00 178.44 180.82 1nwg h GLU 116 N 0.03 0.32 0.00 1.13 4.57 -1.96 0.60 114.58 119.26 1nwg h GLU 116 Ca -0.25 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 1nwg h GLU 116 Cb 1.98 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 30.50 1nwg h GLU 116 CO 0.11 0.21 -0.06 -0.56 -1.18 0.00 0.00 179.01 177.53 1nwg h GLN 117 N 0.33 0.00 0.00 1.92 3.07 -1.98 -2.16 115.11 116.28 1nwg h GLN 117 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.27 1nwg h GLN 117 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.03 1nwg h GLN 117 CO -0.20 0.06 0.00 0.91 0.09 0.00 0.00 178.83 179.69 1nwg n TRP 118 N -4.27 0.00 -2.26 0.06 7.02 0.21 -4.87 117.44 113.33 1nwg n TRP 118 Ca -0.03 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.08 1nwg n TRP 118 Cb 0.14 -0.40 -0.01 0.00 -2.42 0.00 0.00 31.31 28.62 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 -2.80 3.77 -0.33 -0.99 3.52 -0.82 -4.80 118.95 116.50 1nwg s ARG 119 Ca 0.17 1.78 -0.02 0.00 -0.13 0.00 0.00 55.73 57.53 1nwg s ARG 119 Cb 0.16 -2.42 0.07 0.00 -1.56 0.00 0.00 34.95 31.20 1nwg s ARG 119 CO 0.41 -0.54 0.06 0.00 -0.81 0.00 0.00 175.30 174.41 1nwg h GLU 121 N 7.98 0.00 -6.50 0.00 4.39 -1.99 -3.45 114.58 115.01 1nwg h GLU 121 Ca -0.18 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.00 1nwg h GLU 121 Cb 1.05 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.74 1nwg h GLU 121 CO 0.57 0.00 1.02 0.21 -1.16 0.00 0.00 179.01 179.65 1nwg s LYS 122 N -3.38 4.18 0.00 2.33 2.20 -1.26 -5.26 119.74 118.55 1nwg s LYS 122 Ca 0.05 2.43 0.14 0.00 -0.36 0.00 0.00 55.97 58.23 1nwg s LYS 122 Cb 0.09 -3.52 0.83 0.00 -1.51 0.00 0.00 37.83 33.72 1nwg s LYS 122 CO 0.54 -0.75 1.25 -2.30 -0.36 0.00 0.00 175.35 173.73