#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nhe s GLU 2 N 0.00 3.63 1.14 -2.82 2.02 -1.26 -2.44 118.70 118.97 1nhe s GLU 2 Ca 0.00 -1.20 -0.18 0.00 0.02 0.00 0.00 54.97 53.61 1nhe s GLU 2 Cb 0.00 -5.37 0.26 0.00 0.10 0.00 0.00 34.13 29.12 1nhe s GLU 2 CO 0.00 -2.21 1.15 -0.51 0.02 0.00 0.00 175.26 173.71 1nhe s LEU 3 N 4.90 1.17 0.37 1.80 1.43 -0.75 -4.97 118.68 122.63 1nhe s LEU 3 Ca 0.47 0.58 0.08 0.00 -1.03 0.00 0.00 54.13 54.22 1nhe s LEU 3 Cb 0.00 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1nhe s LEU 3 CO -0.08 -3.77 0.22 0.42 0.23 0.00 0.00 176.35 173.36 1nhe s THR 4 N -3.20 2.88 0.19 5.49 -4.23 -1.26 -4.82 115.64 110.69 1nhe s THR 4 Ca 0.71 -1.57 -0.16 0.00 -1.18 0.00 0.00 61.69 59.49 1nhe s THR 4 Cb -0.09 -3.02 0.16 0.00 1.34 0.00 0.00 72.50 70.90 1nhe s THR 4 CO 0.55 -0.11 1.64 0.50 -0.54 0.00 0.00 174.62 176.66 1nhe h LYS 5 N 1.37 -0.04 0.01 3.99 3.64 -1.98 0.10 116.57 123.66 1nhe h LYS 5 Ca -0.43 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1nhe h LYS 5 Cb 1.26 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1nhe h LYS 5 CO 0.63 -0.03 -0.01 0.00 -2.27 0.00 0.00 179.45 177.77 1nhe h LYS 7 N -0.03 -0.27 0.14 0.00 1.57 -1.76 0.06 116.57 116.28 1nhe h LYS 7 Ca -0.00 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1nhe h LYS 7 Cb 0.02 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1nhe h LYS 7 CO 0.00 -0.18 -0.49 0.28 -0.57 0.00 0.00 179.45 178.49 1nhe h VAL 8 N -0.28 0.00 -0.91 0.50 2.07 -0.79 0.11 116.25 116.95 1nhe h VAL 8 Ca 0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.76 1nhe h VAL 8 Cb 0.41 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.08 1nhe h VAL 8 CO -0.26 0.00 0.51 0.28 0.02 0.00 0.00 177.57 178.12 1nhe h SER 9 N -0.71 0.65 -0.40 0.57 0.02 -0.80 -0.28 113.55 112.60 1nhe h SER 9 Ca -0.01 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1nhe h SER 9 Cb 0.71 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1nhe h SER 9 CO -0.25 0.27 -0.08 0.45 -1.14 0.00 0.00 176.83 176.08 1nhe h HIS 10 N 0.71 0.86 -0.37 3.45 -0.00 -0.46 -2.70 115.15 116.65 1nhe h HIS 10 Ca 0.50 -0.18 -0.05 0.00 -0.00 0.00 0.00 60.37 60.64 1nhe h HIS 10 Cb 0.70 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.88 1nhe h HIS 10 CO -0.06 0.89 0.02 0.00 -0.00 0.00 0.00 177.93 178.78 1nhe h ALA 11 N 0.85 0.49 -0.26 2.45 0.00 0.51 -3.07 119.26 120.23 1nhe h ALA 11 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1nhe h ALA 11 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1nhe h ALA 11 CO 0.04 0.24 0.00 0.44 0.00 0.00 0.00 179.25 179.96 1nhe n ILE 12 N -4.51 0.46 -0.32 0.00 -5.35 -0.25 -4.44 119.36 104.96 1nhe n ILE 12 Ca -0.01 -0.38 0.31 0.00 -0.27 0.00 0.00 62.75 62.40 1nhe n ILE 12 Cb 0.26 0.08 0.57 0.00 -1.74 0.00 0.00 39.64 38.81 1nhe n ILE 12 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1nhe n LYS 13 N 0.28 -0.05 0.29 6.28 4.76 -1.02 0.65 118.16 129.34 1nhe n LYS 13 Ca 0.09 1.28 0.13 0.00 -2.87 0.00 0.00 58.31 56.94 1nhe n LYS 13 Cb 0.29 -2.33 0.84 0.00 -1.84 0.00 0.00 35.03 31.98 1nhe n LYS 13 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1nhe h ASP 14 N 0.00 0.00 0.53 4.39 3.58 -1.87 -2.19 116.42 120.87 1nhe h ASP 14 Ca 0.80 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.25 1nhe h ASP 14 Cb 2.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.25 1nhe h ASP 14 CO -0.68 0.00 -0.14 0.00 -2.88 0.00 0.00 179.24 175.54 1nhe n ILE 15 N -4.04 0.00 -1.60 2.25 3.06 0.21 -4.88 119.36 114.35 1nhe n ILE 15 Ca -0.03 -0.03 -0.51 0.00 -2.50 0.00 0.00 62.75 59.68 1nhe n ILE 15 Cb 0.08 -0.16 -0.05 0.00 0.54 0.00 0.00 39.64 40.05 1nhe n ILE 15 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1nhe n ASP 16 N -1.18 1.91 0.00 9.51 -0.08 -0.82 -1.74 116.55 124.15 1nhe n ASP 16 Ca 0.11 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.51 1nhe n ASP 16 Cb 0.30 -1.24 0.00 0.00 2.34 0.00 0.00 41.12 42.52 1nhe n ASP 16 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nhe n GLY 17 N 2.66 1.56 3.69 0.27 0.00 -0.16 -4.93 105.19 108.27 1nhe n GLY 17 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 1nhe n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nhe n TYR 18 N -2.00 2.50 -1.63 1.61 9.36 -0.71 0.33 117.16 126.62 1nhe n TYR 18 Ca 0.00 0.06 -0.20 0.00 3.32 0.00 0.00 57.90 61.08 1nhe n TYR 18 Cb 0.00 -2.64 -0.08 0.00 -0.63 0.00 0.00 39.34 35.99 1nhe n TYR 18 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1nhe n GLN 19 N 4.57 -1.46 0.00 2.98 -0.06 -1.26 -2.51 117.38 119.65 1nhe n GLN 19 Ca 0.18 1.15 0.00 0.00 -2.00 0.00 0.00 57.00 56.32 1nhe n GLN 19 Cb 0.33 -5.53 0.00 0.00 -4.06 0.00 0.00 30.24 20.97 1nhe n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nhe n GLY 20 N -0.41 2.81 3.68 1.69 0.00 0.15 -4.99 105.19 108.11 1nhe n GLY 20 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1nhe n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nhe s ILE 21 N -1.76 2.87 0.77 -0.61 -1.09 -1.04 -4.68 121.20 115.66 1nhe s ILE 21 Ca 0.00 0.16 -0.06 0.00 -2.23 0.00 0.00 60.65 58.51 1nhe s ILE 21 Cb 0.00 -3.10 0.12 0.00 -1.58 0.00 0.00 42.46 37.90 1nhe s ILE 21 CO 0.00 -0.01 1.07 -0.94 -1.23 0.00 0.00 174.94 173.84 1nhe s SER 22 N 3.35 4.23 0.39 3.58 1.04 -1.26 -0.99 113.70 124.04 1nhe s SER 22 Ca 0.82 0.08 0.17 0.00 0.48 0.00 0.00 55.95 57.50 1nhe s SER 22 Cb -0.43 -0.48 0.80 0.00 0.10 0.00 0.00 66.02 66.01 1nhe s SER 22 CO 0.37 -1.96 1.81 -0.07 0.98 0.00 0.00 173.24 174.37 1nhe h LEU 23 N -0.80 0.00 -0.33 2.42 3.38 -1.94 -2.21 115.31 115.82 1nhe h LEU 23 Ca -0.41 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 1nhe h LEU 23 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1nhe h LEU 23 CO 0.47 0.35 -0.00 -0.07 0.09 0.00 0.00 178.44 179.27 1nhe h LEU 24 N 0.00 0.58 -0.78 1.67 3.38 -1.91 -1.47 115.31 116.78 1nhe h LEU 24 Ca -0.00 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1nhe h LEU 24 Cb 0.74 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1nhe h LEU 24 CO 0.05 0.75 0.02 -0.33 0.09 0.00 0.00 178.44 179.02 1nhe h GLU 25 N 0.39 0.95 -0.66 1.13 5.08 -1.84 -2.34 114.58 117.29 1nhe h GLU 25 Ca 0.09 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1nhe h GLU 25 Cb 0.45 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1nhe h GLU 25 CO 0.02 0.92 0.18 -1.49 -1.00 0.00 0.00 179.01 177.64 1nhe h TRP 26 N 0.88 1.09 0.14 4.33 4.06 -1.22 0.12 115.95 125.35 1nhe h TRP 26 Ca 0.17 -0.12 -0.00 0.00 2.06 0.00 0.00 58.89 60.99 1nhe h TRP 26 Cb 0.49 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 1nhe h TRP 26 CO 0.03 0.89 -0.11 0.00 -3.56 0.00 0.00 178.44 175.69 1nhe h ALA 27 N 1.07 -0.24 -0.03 1.49 0.00 -1.12 0.20 119.26 120.63 1nhe h ALA 27 Ca 0.21 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1nhe h ALA 27 Cb 0.33 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1nhe h ALA 27 CO -0.00 -0.65 -0.37 0.00 0.00 0.00 0.00 179.25 178.23 1nhe h VAL 29 N -0.51 0.63 -0.44 0.00 2.07 -0.51 -2.48 116.25 115.02 1nhe h VAL 29 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1nhe h VAL 29 Cb 0.61 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1nhe h VAL 29 CO -0.31 0.00 0.14 -0.07 0.02 0.00 0.00 177.57 177.34 1nhe h LEU 30 N -0.29 0.58 0.64 2.57 3.38 -0.51 0.17 115.31 121.85 1nhe h LEU 30 Ca 0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1nhe h LEU 30 Cb 0.33 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nhe h LEU 30 CO -0.11 0.56 -0.39 0.15 0.09 0.00 0.00 178.44 178.73 1nhe h PHE 31 N 0.63 -1.04 0.00 1.13 3.57 -0.66 0.46 116.94 121.02 1nhe h PHE 31 Ca 0.15 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1nhe h PHE 31 Cb 0.19 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1nhe h PHE 31 CO 0.01 -0.59 -0.15 0.45 -2.23 0.00 0.00 178.31 175.79 1nhe h HIS 32 N -0.97 0.00 0.14 0.41 3.86 -1.15 0.32 115.15 117.76 1nhe h HIS 32 Ca -0.08 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.95 1nhe h HIS 32 Cb 0.79 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.28 1nhe h HIS 32 CO -0.10 0.15 -0.79 1.15 0.86 0.00 0.00 177.93 179.21 1nhe h THR 33 N 0.00 1.52 0.00 2.45 2.02 -0.42 -3.42 112.91 115.06 1nhe h THR 33 Ca -0.00 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.65 1nhe h THR 33 Cb 0.50 3.21 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 1nhe h THR 33 CO 0.02 0.72 0.00 -1.54 0.37 0.00 0.00 175.52 175.09 1nhe n SER 34 N -4.14 0.18 -1.16 4.18 3.41 0.12 -4.90 113.62 111.32 1nhe n SER 34 Ca -0.14 -0.77 -0.13 0.00 -0.26 0.00 0.00 58.87 57.57 1nhe n SER 34 Cb 0.81 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.79 1nhe n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nhe n GLY 35 N 0.06 0.85 2.32 5.00 0.00 0.11 -1.94 105.19 111.60 1nhe n GLY 35 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 1nhe n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nhe n TYR 36 N -3.10 0.00 -2.85 1.61 4.01 -1.24 -4.77 117.16 110.82 1nhe n TYR 36 Ca -0.14 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.17 1nhe n TYR 36 Cb 0.49 -1.39 -0.04 0.00 -0.31 0.00 0.00 39.34 38.09 1nhe n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1nhe s ASP 37 N -2.55 6.24 0.00 7.72 2.15 -0.82 -1.81 116.67 127.60 1nhe s ASP 37 Ca 0.00 -0.71 0.02 0.00 0.43 0.00 0.00 52.55 52.29 1nhe s ASP 37 Cb 0.00 -2.42 0.12 0.00 -0.30 0.00 0.00 42.92 40.31 1nhe s ASP 37 CO 0.00 -1.34 0.98 0.35 -0.17 0.00 0.00 175.17 174.98 1nhe n THR 38 N 6.03 1.40 0.02 1.71 -2.24 -1.02 -1.50 114.28 118.68 1nhe n THR 38 Ca -0.02 0.35 0.03 0.00 -2.27 0.00 0.00 64.05 62.15 1nhe n THR 38 Cb 0.46 -1.31 0.07 0.00 -2.10 0.00 0.00 70.33 67.45 1nhe n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nhe n GLN 39 N -1.38 1.95 -1.64 -0.78 6.02 -1.26 -4.09 117.38 116.21 1nhe n GLN 39 Ca 0.01 -1.51 -0.45 0.00 -0.01 0.00 0.00 57.00 55.03 1nhe n GLN 39 Cb 0.02 -1.14 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 1nhe n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nhe n ALA 40 N 0.16 0.45 -3.68 -1.58 0.00 -0.56 -4.73 120.51 110.57 1nhe n ALA 40 Ca 0.06 0.41 -0.22 0.00 0.00 0.00 0.00 53.44 53.69 1nhe n ALA 40 Cb 0.29 -2.16 -0.18 0.00 0.00 0.00 0.00 19.45 17.40 1nhe n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nhe s VAL 41 N -0.48 -0.03 -0.04 0.00 1.01 -1.26 -1.24 120.40 118.37 1nhe s VAL 41 Ca 0.65 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.91 1nhe s VAL 41 Cb -0.69 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1nhe s VAL 41 CO 0.55 0.11 -0.03 -0.69 0.00 0.00 0.00 175.10 175.04 1nhe s VAL 42 N 2.13 0.37 0.03 2.92 1.01 -1.02 -4.99 120.40 120.86 1nhe s VAL 42 Ca 0.04 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 1nhe s VAL 42 Cb -0.13 -0.43 -0.06 0.00 0.00 0.00 0.00 36.38 35.77 1nhe s VAL 42 CO -0.04 0.18 0.51 0.20 0.00 0.00 0.00 175.10 175.95 1nhe s ASN 43 N 0.90 6.96 0.00 3.32 0.02 -1.26 -0.11 114.94 124.77 1nhe s ASN 43 Ca -0.11 1.14 0.00 0.00 -1.02 0.00 0.00 52.86 52.87 1nhe s ASN 43 Cb -0.14 -2.32 0.00 0.00 0.02 0.00 0.00 41.25 38.81 1nhe s ASN 43 CO -0.01 0.26 0.00 -0.67 0.02 0.00 0.00 177.10 176.71 1nhe n ASP 44 N 1.93 0.00 -2.93 -1.22 -0.08 0.53 -4.97 116.55 109.82 1nhe n ASP 44 Ca -0.11 0.01 -0.06 0.00 -1.51 0.00 0.00 54.79 53.12 1nhe n ASP 44 Cb 0.51 -0.09 -0.01 0.00 2.34 0.00 0.00 41.12 43.88 1nhe n ASP 44 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1nhe s ASN 45 N -1.52 -1.07 0.00 1.67 0.01 -1.26 -4.88 114.94 107.89 1nhe s ASN 45 Ca 0.00 -1.69 0.00 0.00 -0.71 0.00 0.00 52.86 50.46 1nhe s ASN 45 Cb 0.00 1.63 0.00 0.00 0.41 0.00 0.00 41.25 43.29 1nhe s ASN 45 CO 0.00 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 1nhe n GLY 46 N 3.25 0.63 3.20 0.66 0.00 -1.26 -5.04 105.19 106.63 1nhe n GLY 46 Ca 0.18 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1nhe n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nhe s SER 47 N -2.11 0.04 -0.05 1.61 1.04 -1.26 -5.02 113.70 107.95 1nhe s SER 47 Ca 0.00 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.06 1nhe s SER 47 Cb 0.00 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1nhe s SER 47 CO 0.00 -0.62 -0.22 -0.89 0.98 0.00 0.00 173.24 172.49 1nhe s THR 48 N -2.96 2.36 -0.15 2.02 2.01 -1.26 -0.35 115.64 117.31 1nhe s THR 48 Ca -0.02 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 1nhe s THR 48 Cb 0.01 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1nhe s THR 48 CO -0.06 0.58 -0.00 -1.61 -0.69 0.00 0.00 174.62 172.83 1nhe s GLU 49 N -0.41 3.61 0.05 4.92 2.02 0.85 -0.89 118.70 128.85 1nhe s GLU 49 Ca 0.04 -0.44 0.07 0.00 0.02 0.00 0.00 54.97 54.65 1nhe s GLU 49 Cb -0.12 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 1nhe s GLU 49 CO 0.01 0.36 -0.14 0.71 0.02 0.00 0.00 175.26 176.22 1nhe s TYR 50 N 0.08 2.66 0.00 1.61 1.51 0.12 -2.43 117.35 120.90 1nhe s TYR 50 Ca 0.02 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1nhe s TYR 50 Cb -0.13 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1nhe s TYR 50 CO 0.02 0.33 0.00 0.41 -1.11 0.00 0.00 175.55 175.20 1nhe n GLY 51 N 1.30 -1.39 0.37 0.71 0.00 -0.37 -1.14 105.19 104.66 1nhe n GLY 51 Ca -0.15 -1.17 0.11 0.00 0.00 0.00 0.00 46.02 44.81 1nhe n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nhe h LEU 52 N 0.00 0.67 -0.20 0.99 5.85 -1.70 -1.25 115.31 119.67 1nhe h LEU 52 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1nhe h LEU 52 Cb 0.00 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1nhe h LEU 52 CO 0.00 0.35 -0.44 0.49 -0.34 0.00 0.00 178.44 178.50 1nhe n PHE 53 N -4.56 0.00 -3.65 1.25 3.72 -1.26 -4.33 117.46 108.64 1nhe n PHE 53 Ca 0.17 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.27 1nhe n PHE 53 Cb 0.44 -0.18 0.05 0.00 -0.94 0.00 0.00 39.48 38.84 1nhe n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nhe n GLN 54 N -1.15 -1.39 -2.96 -1.08 1.13 -0.30 -4.93 117.38 106.70 1nhe n GLN 54 Ca 0.08 0.49 -0.40 0.00 -1.94 0.00 0.00 57.00 55.23 1nhe n GLN 54 Cb 0.34 -4.29 -0.04 0.00 0.11 0.00 0.00 30.24 26.36 1nhe n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nhe s ILE 55 N -3.47 4.98 0.31 5.09 1.01 -0.35 -4.44 121.20 124.32 1nhe s ILE 55 Ca 0.46 1.56 -0.27 0.00 0.00 0.00 0.00 60.65 62.40 1nhe s ILE 55 Cb -0.16 -4.10 -0.10 0.00 0.01 0.00 0.00 42.46 38.12 1nhe s ILE 55 CO 0.85 0.17 0.97 -0.55 0.00 0.00 0.00 174.94 176.38 1nhe s SER 56 N 0.95 7.34 0.00 3.58 0.15 -1.26 0.16 113.70 124.61 1nhe s SER 56 Ca 0.39 1.93 0.28 0.00 0.70 0.00 0.00 55.95 59.25 1nhe s SER 56 Cb -0.18 -2.59 1.49 0.00 -1.71 0.00 0.00 66.02 63.03 1nhe s SER 56 CO 0.17 -0.07 1.98 -0.90 1.20 0.00 0.00 173.24 175.63 1nhe n ASP 57 N 0.76 0.00 -0.15 5.45 5.68 -0.07 -2.50 116.55 125.72 1nhe n ASP 57 Ca 0.01 -0.33 -0.09 0.00 -0.50 0.00 0.00 54.79 53.88 1nhe n ASP 57 Cb 0.49 -0.21 -0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1nhe n ASP 57 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1nhe h ARG 58 N 0.00 0.69 0.00 0.11 2.43 -1.81 -3.41 114.38 112.39 1nhe h ARG 58 Ca 0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1nhe h ARG 58 Cb 0.19 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1nhe h ARG 58 CO 0.00 0.66 -0.24 1.19 -1.51 0.00 0.00 179.97 180.07 1nhe n PHE 59 N -4.56 0.00 -0.06 2.20 3.72 -1.25 -4.36 117.46 113.16 1nhe n PHE 59 Ca 0.01 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.19 1nhe n PHE 59 Cb 0.18 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.60 1nhe n PHE 59 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1nhe n TRP 60 N -0.43 0.96 -4.36 1.38 7.02 -1.04 -0.21 117.44 120.76 1nhe n TRP 60 Ca 0.00 0.28 -0.19 0.00 -1.02 0.00 0.00 57.50 56.57 1nhe n TRP 60 Cb 0.02 -1.11 -0.10 0.00 -2.42 0.00 0.00 31.31 27.69 1nhe n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nhe s LYS 62 N -3.79 4.20 0.39 0.00 2.20 0.16 -4.46 119.74 118.45 1nhe s LYS 62 Ca 0.27 0.06 0.07 0.00 -0.36 0.00 0.00 55.97 56.01 1nhe s LYS 62 Cb 0.04 -3.48 -0.08 0.00 -1.51 0.00 0.00 37.83 32.80 1nhe s LYS 62 CO 0.09 0.12 -0.00 -1.54 -0.36 0.00 0.00 175.35 173.66 1nhe s SER 63 N 0.76 3.68 0.49 1.43 1.04 -1.26 0.41 113.70 120.25 1nhe s SER 63 Ca 0.15 -1.34 0.22 0.00 0.48 0.00 0.00 55.95 55.46 1nhe s SER 63 Cb -0.14 -0.35 1.28 0.00 0.10 0.00 0.00 66.02 66.91 1nhe s SER 63 CO 0.05 -0.43 2.05 -1.28 0.98 0.00 0.00 173.24 174.61 1nhe h SER 64 N 1.85 0.00 0.99 7.02 0.87 -2.01 -3.10 113.55 119.17 1nhe h SER 64 Ca -0.43 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.99 1nhe h SER 64 Cb 1.24 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 1nhe h SER 64 CO 0.78 0.14 -1.07 1.05 -0.53 0.00 0.00 176.83 177.20 1nhe h GLU 65 N 0.00 0.00 -2.17 2.24 9.09 -2.01 -3.39 114.58 118.34 1nhe h GLU 65 Ca -0.00 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 58.82 1nhe h GLU 65 Cb 0.32 0.00 -0.42 0.00 -1.65 0.00 0.00 28.75 27.00 1nhe h GLU 65 CO 0.02 0.36 -0.67 1.19 0.05 0.00 0.00 179.01 179.95 1nhe n PHE 66 N -3.00 3.14 0.76 2.06 0.99 -1.17 -4.91 117.46 115.31 1nhe n PHE 66 Ca -0.05 -4.06 0.11 0.00 -0.00 0.00 0.00 57.45 53.45 1nhe n PHE 66 Cb 0.79 -0.52 0.48 0.00 -1.00 0.00 0.00 39.48 39.23 1nhe n PHE 66 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1nhe n PRO 67 N 0.78 0.02 0.03 -1.08 -0.02 -1.24 -3.42 135.00 130.07 1nhe n PRO 67 Ca 0.29 0.13 0.11 0.00 -2.02 0.00 0.00 63.50 62.01 1nhe n PRO 67 Cb 0.43 -1.52 -0.08 0.00 -0.02 0.00 0.00 33.50 32.30 1nhe n PRO 67 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1nhe n GLU 68 N -1.55 0.52 -1.42 -0.52 2.13 -1.26 -4.97 120.64 113.56 1nhe n GLU 68 Ca 0.05 -0.07 -0.36 0.00 0.66 0.00 0.00 57.16 57.45 1nhe n GLU 68 Cb 0.27 -1.61 0.08 0.00 0.27 0.00 0.00 31.44 30.45 1nhe n GLU 68 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1nhe n SER 69 N -2.24 0.42 -0.30 4.31 7.64 -1.22 -4.87 113.62 117.37 1nhe n SER 69 Ca -0.01 0.69 0.13 0.00 1.01 0.00 0.00 58.87 60.69 1nhe n SER 69 Cb 0.52 -1.39 0.31 0.00 -1.01 0.00 0.00 64.21 62.63 1nhe n SER 69 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1nhe h GLU 70 N -0.09 0.33 -5.74 1.43 3.07 -1.77 -3.46 114.58 108.35 1nhe h GLU 70 Ca -0.48 -0.02 -0.33 0.00 -0.50 0.00 0.00 59.36 58.04 1nhe h GLU 70 Cb 1.34 -0.08 0.15 0.00 -0.84 0.00 0.00 28.75 29.33 1nhe h GLU 70 CO 0.47 0.22 -0.85 -1.71 -1.40 0.00 0.00 179.01 175.75 1nhe n ASN 71 N -5.09 -4.43 0.25 1.42 4.05 -0.69 -4.83 115.26 105.94 1nhe n ASN 71 Ca 0.22 -0.76 0.17 0.00 0.45 0.00 0.00 54.58 54.65 1nhe n ASN 71 Cb 0.67 -4.68 0.89 0.00 1.23 0.00 0.00 39.78 37.90 1nhe n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1nhe h ILE 72 N -1.54 0.00 -0.01 -1.44 2.04 -0.51 0.84 117.51 116.90 1nhe h ILE 72 Ca -0.62 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1nhe h ILE 72 Cb 1.33 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1nhe h ILE 72 CO 0.48 0.00 -0.39 0.00 0.00 0.00 0.00 178.15 178.24 1nhe n GLY 74 N 1.40 -0.42 3.32 0.00 0.00 0.29 -4.97 105.19 104.80 1nhe n GLY 74 Ca 0.10 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 1nhe n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nhe s ILE 75 N -3.37 0.08 0.30 -0.61 -4.36 -1.26 -5.05 121.20 106.93 1nhe s ILE 75 Ca 0.20 -0.84 -0.21 0.00 -0.26 0.00 0.00 60.65 59.54 1nhe s ILE 75 Cb -0.09 -1.33 -0.09 0.00 1.25 0.00 0.00 42.46 42.19 1nhe s ILE 75 CO 0.74 -0.37 0.83 -0.55 0.24 0.00 0.00 174.94 175.83 1nhe s SER 76 N -2.84 7.10 0.42 4.36 0.15 -1.26 0.40 113.70 122.02 1nhe s SER 76 Ca 0.06 1.58 0.29 0.00 0.70 0.00 0.00 55.95 58.58 1nhe s SER 76 Cb 0.02 -2.48 1.26 0.00 -1.71 0.00 0.00 66.02 63.10 1nhe s SER 76 CO -0.09 -0.09 1.87 0.00 1.20 0.00 0.00 173.24 176.13 1nhe h ASP 78 N 0.00 0.00 0.00 0.00 3.32 -1.92 -1.11 116.42 116.71 1nhe h ASP 78 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nhe h ASP 78 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1nhe h ASP 78 CO 0.00 0.13 0.00 0.29 -1.72 0.00 0.00 179.24 177.94 1nhe n LYS 79 N -3.41 0.93 -0.33 3.56 4.76 -0.71 -2.57 118.16 120.38 1nhe n LYS 79 Ca -0.01 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 1nhe n LYS 79 Cb 0.31 -1.35 0.22 0.00 -1.84 0.00 0.00 35.03 32.37 1nhe n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nhe n LEU 80 N -0.85 3.49 -0.10 -0.35 4.77 -0.42 -4.36 117.00 119.18 1nhe n LEU 80 Ca 0.16 -2.58 0.06 0.00 -0.03 0.00 0.00 56.01 53.62 1nhe n LEU 80 Cb 0.07 -0.41 0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1nhe n LEU 80 CO 0.12 0.70 0.51 0.18 -1.33 0.00 0.00 177.39 177.56 1nhe n LEU 81 N -0.06 1.92 -4.89 2.23 4.77 -1.06 -3.08 117.00 116.83 1nhe n LEU 81 Ca 0.17 -2.51 -0.27 0.00 -0.03 0.00 0.00 56.01 53.38 1nhe n LEU 81 Cb 0.70 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1nhe n LEU 81 CO 0.12 0.59 0.03 1.51 -1.33 0.00 0.00 177.39 178.31 1nhe s ASP 82 N -2.17 4.60 0.00 -1.43 1.47 -1.26 -4.65 116.67 113.23 1nhe s ASP 82 Ca 0.21 -1.27 0.17 0.00 1.18 0.00 0.00 52.55 52.83 1nhe s ASP 82 Cb 0.18 0.41 0.48 0.00 -0.34 0.00 0.00 42.92 43.65 1nhe s ASP 82 CO 0.02 -1.08 1.40 0.47 0.68 0.00 0.00 175.17 176.65 1nhe n ASP 83 N -1.73 2.57 -4.42 2.11 8.00 -1.26 -4.70 116.55 117.13 1nhe n ASP 83 Ca -0.03 -1.96 -0.44 0.00 0.71 0.00 0.00 54.79 53.08 1nhe n ASP 83 Cb 0.64 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.41 1nhe n ASP 83 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1nhe s GLU 84 N -1.42 3.09 0.00 -1.24 8.01 -1.26 -4.92 118.70 120.95 1nhe s GLU 84 Ca 0.33 -1.06 0.26 0.00 0.01 0.00 0.00 54.97 54.52 1nhe s GLU 84 Cb 0.18 -4.23 1.19 0.00 -4.31 0.00 0.00 34.13 26.95 1nhe s GLU 84 CO 0.24 -1.61 1.85 1.28 0.01 0.00 0.00 175.26 177.03 1nhe n LEU 85 N 6.87 0.00 -0.28 1.80 7.99 -1.26 -4.21 117.00 127.90 1nhe n LEU 85 Ca -0.07 0.42 0.04 0.00 -0.01 0.00 0.00 56.01 56.39 1nhe n LEU 85 Cb 0.44 -0.42 0.18 0.00 -0.11 0.00 0.00 43.42 43.50 1nhe n LEU 85 CO 0.60 -0.05 1.12 0.44 -1.51 0.00 0.00 177.39 177.99 1nhe h ASP 86 N 0.00 0.60 0.55 -1.43 5.19 -1.92 -0.27 116.42 119.14 1nhe h ASP 86 Ca 0.00 0.06 -0.15 0.00 -0.62 0.00 0.00 57.03 56.32 1nhe h ASP 86 Cb 0.37 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 1nhe h ASP 86 CO 0.00 0.32 -0.66 -2.24 -3.12 0.00 0.00 179.24 173.54 1nhe h ASP 87 N 0.72 0.11 -0.27 6.45 3.04 -1.91 -1.89 116.42 122.67 1nhe h ASP 87 Ca 0.41 -0.07 -0.04 0.00 -3.24 0.00 0.00 57.03 54.09 1nhe h ASP 87 Cb 0.44 -0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 38.68 1nhe h ASP 87 CO -0.28 0.74 0.02 0.44 -2.04 0.00 0.00 179.24 178.13 1nhe h ASP 88 N 0.07 0.44 -0.55 4.15 3.45 -1.52 -1.47 116.42 120.99 1nhe h ASP 88 Ca -0.01 -0.28 0.00 0.00 0.43 0.00 0.00 57.03 57.17 1nhe h ASP 88 Cb 1.17 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 39.80 1nhe h ASP 88 CO 0.09 0.61 0.36 0.40 -1.57 0.00 0.00 179.24 179.13 1nhe h ILE 89 N 0.25 1.15 -0.04 0.35 2.04 -1.03 0.35 117.51 120.58 1nhe h ILE 89 Ca 0.08 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1nhe h ILE 89 Cb 0.37 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1nhe h ILE 89 CO 0.01 0.15 -0.17 0.00 0.00 0.00 0.00 178.15 178.14 1nhe h ALA 90 N 1.19 1.65 0.18 1.87 0.00 -1.19 0.02 119.26 122.99 1nhe h ALA 90 Ca 0.20 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 1nhe h ALA 90 Cb -0.07 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.71 1nhe h ALA 90 CO -0.04 0.26 -1.27 0.00 0.00 0.00 0.00 179.25 178.20 1nhe h ALA 92 N 0.19 1.37 -0.67 0.00 0.00 0.27 -1.62 119.26 118.80 1nhe h ALA 92 Ca -0.21 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1nhe h ALA 92 Cb 1.97 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 1nhe h ALA 92 CO 0.24 0.57 0.43 0.87 0.00 0.00 0.00 179.25 181.35 1nhe h LYS 93 N 1.20 0.82 -0.41 0.00 1.57 -1.04 0.86 116.57 119.57 1nhe h LYS 93 Ca 0.34 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1nhe h LYS 93 Cb -0.10 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 1nhe h LYS 93 CO -0.08 0.54 0.21 0.87 -0.57 0.00 0.00 179.45 180.42 1nhe h LYS 94 N 0.85 0.59 -0.75 3.15 1.57 -1.26 0.39 116.57 121.11 1nhe h LYS 94 Ca 0.26 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 1nhe h LYS 94 Cb -0.02 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.13 1nhe h LYS 94 CO -0.09 0.49 0.44 0.82 -0.57 0.00 0.00 179.45 180.55 1nhe h ILE 95 N 0.53 1.01 -0.74 1.86 2.04 -0.72 -0.03 117.51 121.47 1nhe h ILE 95 Ca 0.14 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1nhe h ILE 95 Cb 0.09 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1nhe h ILE 95 CO -0.02 0.15 0.32 -0.07 0.00 0.00 0.00 178.15 178.53 1nhe h LEU 96 N 0.82 0.99 -0.44 1.44 3.38 -0.05 0.65 115.31 122.11 1nhe h LEU 96 Ca 0.33 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 1nhe h LEU 96 Cb 0.16 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1nhe h LEU 96 CO -0.17 0.86 -0.68 0.00 0.09 0.00 0.00 178.44 178.55 1nhe h ALA 97 N 1.28 0.73 0.00 1.53 0.00 0.01 -1.87 119.26 120.94 1nhe h ALA 97 Ca 0.25 -0.62 -0.25 0.00 0.00 0.00 0.00 54.91 54.30 1nhe h ALA 97 Cb 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1nhe h ALA 97 CO -0.03 0.85 -1.64 -0.89 0.00 0.00 0.00 179.25 177.55 1nhe n ILE 98 N -3.52 1.51 -0.08 0.00 5.41 -0.11 -4.72 119.36 117.85 1nhe n ILE 98 Ca -0.00 -0.11 -0.08 0.00 1.00 0.00 0.00 62.75 63.56 1nhe n ILE 98 Cb 0.72 -2.09 -0.16 0.00 -0.71 0.00 0.00 39.64 37.40 1nhe n ILE 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1nhe n LYS 99 N -4.39 0.68 0.00 0.38 4.81 0.20 -5.08 118.16 114.76 1nhe n LYS 99 Ca -0.34 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.13 1nhe n LYS 99 Cb 0.68 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1nhe n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nhe n GLY 100 N 1.69 0.11 0.33 3.14 0.00 0.33 -4.54 105.19 106.25 1nhe n GLY 100 Ca -0.29 -1.83 0.19 0.00 0.00 0.00 0.00 46.02 44.09 1nhe n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nhe h ILE 101 N 0.00 0.00 0.00 -0.61 6.09 -1.86 -2.15 117.51 118.98 1nhe h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1nhe h ILE 101 Cb 0.00 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.14 1nhe h ILE 101 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1nhe n ASP 102 N -2.96 0.00 0.08 2.19 10.43 -1.26 -1.66 116.55 123.37 1nhe n ASP 102 Ca -0.03 -1.14 -0.03 0.00 2.57 0.00 0.00 54.79 56.16 1nhe n ASP 102 Cb 0.18 0.00 0.20 0.00 1.84 0.00 0.00 41.12 43.34 1nhe n ASP 102 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1nhe h TYR 103 N 0.00 0.33 -2.79 1.24 3.20 -1.67 -3.36 116.97 113.92 1nhe h TYR 103 Ca 0.00 -0.09 -0.64 0.00 3.14 0.00 0.00 58.73 61.14 1nhe h TYR 103 Cb 0.00 -0.07 -0.15 0.00 1.54 0.00 0.00 36.73 38.05 1nhe h TYR 103 CO 0.00 0.66 0.46 -1.58 -1.64 0.00 0.00 178.16 176.06 1nhe s TRP 104 N -4.13 2.75 0.65 -3.82 0.51 -0.67 -4.91 118.94 109.33 1nhe s TRP 104 Ca -0.05 -0.54 0.41 0.00 -2.12 0.00 0.00 56.10 53.80 1nhe s TRP 104 Cb 0.13 -4.18 2.28 0.00 -0.81 0.00 0.00 33.47 30.89 1nhe s TRP 104 CO 0.78 -1.53 2.33 0.87 -0.51 0.00 0.00 176.95 178.89 1nhe h LYS 105 N 9.45 0.00 0.00 4.98 1.57 -1.85 -2.33 116.57 128.40 1nhe h LYS 105 Ca -0.28 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1nhe h LYS 105 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1nhe h LYS 105 CO 1.15 0.00 -0.00 0.00 -0.57 0.00 0.00 179.45 180.02 1nhe h ALA 106 N 1.97 1.00 0.45 3.86 0.00 -1.92 -3.38 119.26 121.24 1nhe h ALA 106 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nhe h ALA 106 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nhe h ALA 106 CO -0.00 0.00 -0.37 -0.92 0.00 0.00 0.00 179.25 177.96 1nhe h TYR 107 N 0.00 -1.02 0.20 0.00 3.20 -1.75 0.72 116.97 118.32 1nhe h TYR 107 Ca -0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1nhe h TYR 107 Cb 0.77 0.39 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 1nhe h TYR 107 CO 0.00 -0.52 -0.46 0.87 -1.64 0.00 0.00 178.16 176.42 1nhe h LYS 108 N -0.80 -0.72 -0.23 1.82 1.57 -1.79 -0.43 116.57 115.99 1nhe h LYS 108 Ca -0.06 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1nhe h LYS 108 Cb 0.67 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1nhe h LYS 108 CO -0.00 -0.48 0.11 -1.00 -0.57 0.00 0.00 179.45 177.51 1nhe h PRO 109 N -0.74 0.33 0.00 3.15 0.13 -1.77 -3.32 132.00 129.77 1nhe h PRO 109 Ca -0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1nhe h PRO 109 Cb 0.73 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1nhe h PRO 109 CO -0.21 0.34 -1.07 -1.33 -0.23 0.00 0.00 178.00 175.50 1nhe n MET 110 N -4.84 0.36 -0.75 0.86 2.81 0.24 -4.54 117.12 111.27 1nhe n MET 110 Ca -0.03 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.92 1nhe n MET 110 Cb 0.10 -1.63 0.14 0.00 -0.71 0.00 0.00 33.22 31.13 1nhe n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nhe h SER 112 N 0.82 0.00 -5.38 0.00 0.02 -1.66 -3.48 113.55 103.87 1nhe h SER 112 Ca -0.06 -0.24 -0.14 0.00 -0.84 0.00 0.00 61.79 60.51 1nhe h SER 112 Cb 1.25 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.66 1nhe h SER 112 CO 0.02 0.12 -0.37 -1.83 -1.14 0.00 0.00 176.83 173.64 1nhe s GLU 113 N -3.19 1.30 -0.97 3.45 -1.05 -1.26 -4.96 118.70 112.03 1nhe s GLU 113 Ca 0.05 -1.38 -0.12 0.00 -0.15 0.00 0.00 54.97 53.38 1nhe s GLU 113 Cb 0.13 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 1nhe s GLU 113 CO 0.75 -0.48 0.71 1.63 0.95 0.00 0.00 175.26 178.81 1nhe n LYS 114 N -0.29 -1.24 0.02 -4.83 5.02 -1.26 -4.91 118.16 110.66 1nhe n LYS 114 Ca -0.02 0.72 -0.17 0.00 -2.02 0.00 0.00 58.31 56.83 1nhe n LYS 114 Cb 0.64 -3.72 -0.14 0.00 -0.02 0.00 0.00 35.03 31.79 1nhe n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1nhe h LEU 115 N -0.99 0.30 -1.73 -0.35 3.38 -1.92 -3.36 115.31 110.64 1nhe h LEU 115 Ca -0.53 -0.57 0.15 0.00 0.09 0.00 0.00 57.88 57.02 1nhe h LEU 115 Cb 1.31 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1nhe h LEU 115 CO 0.41 1.50 0.63 -0.08 0.09 0.00 0.00 178.44 180.99 1nhe h GLU 116 N 0.05 0.00 0.00 1.13 4.57 -1.96 0.41 114.58 118.78 1nhe h GLU 116 Ca -0.33 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.82 1nhe h GLU 116 Cb 2.03 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.61 1nhe h GLU 116 CO 0.11 0.00 -0.13 -0.56 -1.18 0.00 0.00 179.01 177.25 1nhe h GLN 117 N 0.00 0.00 -0.00 1.92 3.07 -1.97 -2.82 115.11 115.30 1nhe h GLN 117 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 1nhe h GLN 117 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.06 1nhe h GLN 117 CO -0.00 0.13 -0.05 0.91 0.09 0.00 0.00 178.83 179.91 1nhe n TRP 118 N -3.48 0.00 -2.41 0.06 7.02 0.14 -4.87 117.44 113.91 1nhe n TRP 118 Ca -0.01 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.06 1nhe n TRP 118 Cb 0.29 -0.11 -0.04 0.00 -2.42 0.00 0.00 31.31 29.03 1nhe n TRP 118 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1nhe s ARG 119 N -2.27 4.55 -0.14 -0.99 3.52 -1.07 -4.77 118.95 117.78 1nhe s ARG 119 Ca 0.36 1.86 -0.10 0.00 -0.13 0.00 0.00 55.73 57.72 1nhe s ARG 119 Cb 0.21 -3.21 -0.06 0.00 -1.56 0.00 0.00 34.95 30.33 1nhe s ARG 119 CO 0.42 0.05 -0.02 0.00 -0.81 0.00 0.00 175.30 174.94 1nhe n GLU 121 N -4.64 0.33 -1.79 0.00 -0.58 -1.26 -5.03 120.64 107.68 1nhe n GLU 121 Ca -0.09 -0.94 -0.43 0.00 -0.42 0.00 0.00 57.16 55.29 1nhe n GLU 121 Cb 0.26 1.01 -0.03 0.00 -0.57 0.00 0.00 31.44 32.11 1nhe n GLU 121 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1nhe s LYS 122 N -2.18 3.61 0.00 3.49 -0.14 -1.26 -5.11 119.74 118.15 1nhe s LYS 122 Ca 0.09 2.06 0.00 0.00 -1.36 0.00 0.00 55.97 56.76 1nhe s LYS 122 Cb -0.01 -4.21 0.00 0.00 -1.68 0.00 0.00 37.83 31.93 1nhe s LYS 122 CO 0.06 -1.54 0.35 -2.30 -0.76 0.00 0.00 175.35 171.16