#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 3.28 0.00 -2.82 2.02 -1.26 -2.51 118.70 117.41 1nhe s GLU 2 Ca 0.00 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.49 1nhe s GLU 2 Cb 0.00 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 30.10 1nhe s GLU 2 CO 0.00 -1.96 0.00 1.28 0.02 0.00 0.00 175.26 174.60 1nhe n LEU 3 N 9.71 0.00 -4.26 1.80 4.77 -0.48 -5.00 117.00 123.54 1nhe n LEU 3 Ca 0.13 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 1nhe n LEU 3 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1nhe n LEU 3 CO 0.71 -0.46 -0.30 0.42 -1.33 0.00 0.00 177.39 176.44 1nhe s THR 4 N -0.48 0.55 0.18 -5.08 -4.23 -1.26 -4.84 115.64 100.48 1nhe s THR 4 Ca 0.00 -1.98 -0.23 0.00 -1.18 0.00 0.00 61.69 58.30 1nhe s THR 4 Cb 0.00 -2.32 0.09 0.00 1.34 0.00 0.00 72.50 71.60 1nhe s THR 4 CO 0.00 -0.28 1.58 0.50 -0.54 0.00 0.00 174.62 175.88 1nhe h LYS 5 N 2.59 -0.18 -0.67 3.99 3.64 -1.97 0.44 116.57 124.40 1nhe h LYS 5 Ca -0.37 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 58.96 1nhe h LYS 5 Cb 1.22 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1nhe h LYS 5 CO 0.61 -0.12 0.19 0.00 -2.27 0.00 0.00 179.45 177.86 1nhe h LYS 7 N 0.99 0.37 -0.51 0.00 1.57 -1.76 0.46 116.57 117.68 1nhe h LYS 7 Ca 0.21 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1nhe h LYS 7 Cb 0.33 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 1nhe h LYS 7 CO -0.00 0.29 0.24 0.28 -0.57 0.00 0.00 179.45 179.68 1nhe h VAL 8 N 0.35 0.92 0.00 0.50 2.07 -0.58 0.33 116.25 119.83 1nhe h VAL 8 Ca 0.10 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1nhe h VAL 8 Cb 0.01 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1nhe h VAL 8 CO -0.02 0.08 -0.08 0.28 0.02 0.00 0.00 177.57 177.85 1nhe h SER 9 N 0.46 0.00 0.20 0.57 0.02 -0.50 -1.69 113.55 112.60 1nhe h SER 9 Ca 0.23 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.86 1nhe h SER 9 Cb 0.18 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.73 1nhe h SER 9 CO -0.18 0.08 -1.53 0.45 -1.14 0.00 0.00 176.83 174.51 1nhe h HIS 10 N 0.00 0.75 0.00 3.45 -0.00 0.30 -3.24 115.15 116.41 1nhe h HIS 10 Ca -0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 60.37 59.82 1nhe h HIS 10 Cb 0.56 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.94 1nhe h HIS 10 CO 0.00 1.59 0.00 0.00 -0.00 0.00 0.00 177.93 179.52 1nhe n ALA 11 N -2.82 2.28 0.75 2.45 0.00 -0.01 -3.46 120.51 119.70 1nhe n ALA 11 Ca -0.21 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.22 1nhe n ALA 11 Cb 1.04 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 19.08 1nhe n ALA 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nhe n ILE 12 N -1.53 0.00 -0.27 0.00 2.08 -0.65 -4.69 119.36 114.30 1nhe n ILE 12 Ca 0.07 -0.44 0.13 0.00 0.56 0.00 0.00 62.75 63.07 1nhe n ILE 12 Cb 0.33 1.31 0.25 0.00 -0.75 0.00 0.00 39.64 40.79 1nhe n ILE 12 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1nhe n LYS 13 N 0.62 -0.06 0.04 0.38 4.76 -1.22 -0.80 118.16 121.87 1nhe n LYS 13 Ca 0.09 1.16 0.05 0.00 -2.87 0.00 0.00 58.31 56.75 1nhe n LYS 13 Cb 0.42 -1.86 0.25 0.00 -1.84 0.00 0.00 35.03 31.99 1nhe n LYS 13 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1nhe n ASP 14 N -5.06 0.16 -0.39 4.39 8.00 -1.26 -2.30 116.55 120.09 1nhe n ASP 14 Ca 0.19 0.56 0.10 0.00 0.71 0.00 0.00 54.79 56.35 1nhe n ASP 14 Cb 0.64 -0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 1nhe n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nhe n ILE 15 N -1.70 0.00 -1.68 0.53 3.06 0.02 -4.95 119.36 114.65 1nhe n ILE 15 Ca 0.01 -0.24 -0.46 0.00 -2.50 0.00 0.00 62.75 59.55 1nhe n ILE 15 Cb 0.09 1.20 -0.04 0.00 0.54 0.00 0.00 39.64 41.43 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 -0.27 3.34 0.00 9.51 2.03 -0.97 -2.60 116.55 127.59 1nhe n ASP 16 Ca 0.08 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1nhe n ASP 16 Cb 0.41 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 1nhe n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nhe n GLY 17 N 3.88 2.43 3.61 0.27 0.00 0.33 -5.00 105.19 110.70 1nhe n GLY 17 Ca 0.19 -0.31 -0.57 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 1.41 -2.35 1.61 9.36 -1.07 0.11 117.16 126.23 1nhe n TYR 18 Ca 0.00 0.80 -0.21 0.00 3.32 0.00 0.00 57.90 61.81 1nhe n TYR 18 Cb 0.00 -2.28 -0.01 0.00 -0.63 0.00 0.00 39.34 36.42 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 3.01 -1.67 -0.20 2.98 -0.06 -1.26 -2.55 117.38 117.63 1nhe n GLN 19 Ca 0.22 1.03 0.00 0.00 -2.00 0.00 0.00 57.00 56.25 1nhe n GLN 19 Cb 0.12 -5.68 0.00 0.00 -4.06 0.00 0.00 30.24 20.61 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 -0.98 2.20 3.72 1.69 0.00 0.30 -4.95 105.19 107.17 1nhe n GLY 20 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.90 4.68 0.60 -0.61 -1.09 -1.06 -4.85 121.20 115.98 1nhe s ILE 21 Ca 0.00 2.03 0.03 0.00 -2.23 0.00 0.00 60.65 60.49 1nhe s ILE 21 Cb 0.00 -4.31 0.08 0.00 -1.58 0.00 0.00 42.46 36.65 1nhe s ILE 21 CO 0.00 0.25 0.83 -0.94 -1.23 0.00 0.00 174.94 173.85 1nhe s SER 22 N 0.46 4.96 0.16 3.58 1.04 -1.26 0.12 113.70 122.76 1nhe s SER 22 Ca 0.49 -0.39 0.26 0.00 0.48 0.00 0.00 55.95 56.78 1nhe s SER 22 Cb -0.22 -0.27 0.92 0.00 0.10 0.00 0.00 66.02 66.55 1nhe s SER 22 CO 0.28 -1.39 1.78 0.18 0.98 0.00 0.00 173.24 175.07 1nhe n LEU 23 N -2.43 0.58 0.03 2.42 4.77 -1.26 -2.22 117.00 118.89 1nhe n LEU 23 Ca 0.12 0.57 -0.12 0.00 -0.03 0.00 0.00 56.01 56.56 1nhe n LEU 23 Cb 0.60 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1nhe n LEU 23 CO 0.42 -0.22 0.48 -0.07 -1.33 0.00 0.00 177.39 176.67 1nhe h LEU 24 N 0.00 -0.13 -1.83 2.23 3.38 -1.92 -2.44 115.31 114.60 1nhe h LEU 24 Ca 0.00 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1nhe h LEU 24 Cb 0.59 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1nhe h LEU 24 CO 0.00 0.43 -0.03 -0.33 0.09 0.00 0.00 178.44 178.60 1nhe h GLU 25 N -0.76 0.06 -0.09 1.13 5.08 -1.90 -1.85 114.58 116.26 1nhe h GLU 25 Ca -0.02 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1nhe h GLU 25 Cb 0.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1nhe h GLU 25 CO 0.03 0.10 -0.38 -1.49 -1.00 0.00 0.00 179.01 176.27 1nhe h TRP 26 N 0.07 0.54 -0.84 4.33 -0.00 -1.43 -0.27 115.95 118.35 1nhe h TRP 26 Ca 0.02 -0.23 -0.02 0.00 -0.00 0.00 0.00 58.89 58.65 1nhe h TRP 26 Cb 0.10 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 29.14 1nhe h TRP 26 CO 0.00 0.98 0.45 0.00 -0.00 0.00 0.00 178.44 179.88 1nhe h ALA 27 N 0.45 1.23 -0.00 1.49 0.00 -1.18 0.66 119.26 121.91 1nhe h ALA 27 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1nhe h ALA 27 Cb 1.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1nhe h ALA 27 CO 0.08 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.95 1nhe h VAL 29 N -0.19 1.16 -0.58 0.00 2.07 -0.39 -2.79 116.25 115.53 1nhe h VAL 29 Ca 0.00 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1nhe h VAL 29 Cb 0.19 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1nhe h VAL 29 CO -0.00 0.16 0.06 -0.07 0.02 0.00 0.00 177.57 177.74 1nhe h LEU 30 N 0.48 0.95 -0.59 2.57 3.38 0.35 0.21 115.31 122.65 1nhe h LEU 30 Ca 0.13 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1nhe h LEU 30 Cb 0.08 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1nhe h LEU 30 CO -0.02 0.99 0.28 0.15 0.09 0.00 0.00 178.44 179.93 1nhe h PHE 31 N 0.87 0.50 0.00 1.13 3.57 -1.05 0.57 116.94 122.53 1nhe h PHE 31 Ca 0.17 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1nhe h PHE 31 Cb 0.47 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1nhe h PHE 31 CO 0.03 0.20 -0.40 0.45 -2.23 0.00 0.00 178.31 176.37 1nhe h HIS 32 N 0.51 0.00 0.06 0.41 3.86 -1.22 -2.24 115.15 116.54 1nhe h HIS 32 Ca 0.28 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.37 1nhe h HIS 32 Cb 0.25 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.73 1nhe h HIS 32 CO -0.12 0.26 -0.54 1.15 0.86 0.00 0.00 177.93 179.55 1nhe h THR 33 N 0.00 1.55 0.00 2.45 2.02 0.18 -3.44 112.91 115.67 1nhe h THR 33 Ca -0.01 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1nhe h THR 33 Cb 1.21 3.17 0.00 0.00 -1.74 0.00 0.00 68.15 70.79 1nhe h THR 33 CO 0.03 0.64 -0.48 -1.54 0.37 0.00 0.00 175.52 174.54 1nhe n SER 34 N -4.35 2.38 0.00 4.18 3.41 0.19 -4.88 113.62 114.55 1nhe n SER 34 Ca -0.15 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1nhe n SER 34 Cb 0.66 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 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 1.40 0.51 2.23 5.00 0.00 -0.84 -2.71 105.19 110.78 1nhe n GLY 35 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.90 -0.26 -3.35 1.61 4.01 -1.24 -4.70 117.16 110.32 1nhe n TYR 36 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.29 1nhe n TYR 36 Cb 0.00 -2.18 -0.06 0.00 -0.31 0.00 0.00 39.34 36.79 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 -2.71 6.17 0.46 7.72 2.15 -1.10 -1.38 116.67 127.98 1nhe s ASP 37 Ca 0.00 -1.55 0.18 0.00 0.43 0.00 0.00 52.55 51.61 1nhe s ASP 37 Cb 0.00 -2.20 0.99 0.00 -0.30 0.00 0.00 42.92 41.41 1nhe s ASP 37 CO 0.00 -0.75 1.49 0.71 -0.17 0.00 0.00 175.17 176.45 1nhe h THR 38 N 5.82 0.00 -0.35 1.71 1.35 -1.81 0.43 112.91 120.06 1nhe h THR 38 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1nhe h THR 38 Cb 1.11 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1nhe h THR 38 CO 0.96 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.23 1nhe n GLN 39 N -2.36 3.00 -1.73 4.72 6.02 -1.26 -4.10 117.38 121.67 1nhe n GLN 39 Ca -0.01 -2.46 -0.42 0.00 -0.01 0.00 0.00 57.00 54.10 1nhe n GLN 39 Cb 0.38 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 30.07 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 0.18 1.88 -3.46 -1.58 0.00 0.15 -4.76 120.51 112.91 1nhe n ALA 40 Ca 0.17 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.79 1nhe n ALA 40 Cb 0.66 -2.35 -0.12 0.00 0.00 0.00 0.00 19.45 17.64 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 -0.75 -0.35 -0.16 0.00 1.01 -1.26 -0.83 120.40 118.06 1nhe s VAL 41 Ca 0.58 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1nhe s VAL 41 Cb -0.53 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1nhe s VAL 41 CO 0.58 -0.29 -0.19 -0.69 0.00 0.00 0.00 175.10 174.52 1nhe s VAL 42 N 2.34 2.33 0.16 2.92 1.01 -1.02 -4.95 120.40 123.19 1nhe s VAL 42 Ca 0.08 -0.88 -0.27 0.00 0.00 0.00 0.00 61.98 60.91 1nhe s VAL 42 Cb -0.15 -1.97 -0.08 0.00 0.00 0.00 0.00 36.38 34.19 1nhe s VAL 42 CO -0.19 0.53 0.84 0.20 0.00 0.00 0.00 175.10 176.48 1nhe s ASN 43 N 0.92 7.44 0.00 3.32 0.01 -1.26 -1.42 114.94 123.95 1nhe s ASN 43 Ca -0.04 1.71 0.00 0.00 -0.71 0.00 0.00 52.86 53.82 1nhe s ASN 43 Cb -0.15 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1nhe s ASN 43 CO -0.03 0.14 0.00 -0.67 -1.51 0.00 0.00 177.10 175.02 1nhe n ASP 44 N 1.89 0.00 -3.40 -1.22 -0.08 -0.70 -4.97 116.55 108.07 1nhe n ASP 44 Ca -0.03 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.04 1nhe n ASP 44 Cb 0.49 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.85 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 -0.15 1.79 -0.08 1.67 0.01 -1.26 -4.86 114.94 112.06 1nhe s ASN 45 Ca 0.00 -1.58 0.00 0.00 -0.71 0.00 0.00 52.86 50.57 1nhe s ASN 45 Cb 0.00 0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.94 1nhe s ASN 45 CO 0.00 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 175.90 1nhe n GLY 46 N 4.41 0.40 3.22 0.66 0.00 -1.26 -4.97 105.19 107.65 1nhe n GLY 46 Ca 0.08 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.10 0.05 0.03 1.61 1.04 -1.26 -4.97 113.70 108.10 1nhe s SER 47 Ca 0.00 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 55.92 1nhe s SER 47 Cb 0.00 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 1nhe s SER 47 CO 0.00 -0.74 -0.19 -0.89 0.98 0.00 0.00 173.24 172.40 1nhe s THR 48 N -3.76 1.53 -0.06 2.02 2.01 -1.26 -1.71 115.64 114.40 1nhe s THR 48 Ca 0.04 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 60.96 1nhe s THR 48 Cb 0.04 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1nhe s THR 48 CO -0.11 0.22 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.40 1nhe s GLU 49 N -1.01 2.85 -0.04 4.92 2.02 -0.51 -1.45 118.70 125.49 1nhe s GLU 49 Ca 0.06 -0.50 0.07 0.00 0.02 0.00 0.00 54.97 54.62 1nhe s GLU 49 Cb -0.08 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 1nhe s GLU 49 CO 0.01 0.67 -0.24 0.71 0.02 0.00 0.00 175.26 176.44 1nhe s TYR 50 N -0.90 2.43 0.00 1.61 1.51 0.14 -2.43 117.35 119.71 1nhe s TYR 50 Ca 0.14 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1nhe s TYR 50 Cb -0.11 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 1nhe s TYR 50 CO 0.04 -0.06 0.00 0.41 -1.11 0.00 0.00 175.55 174.83 1nhe n GLY 51 N 2.59 -1.08 0.35 0.71 0.00 -0.01 -1.92 105.19 105.82 1nhe n GLY 51 Ca -0.17 -1.16 0.16 0.00 0.00 0.00 0.00 46.02 44.85 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 0.71 -0.40 0.99 5.85 -1.71 -1.68 115.31 119.07 1nhe h LEU 52 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1nhe h LEU 52 Cb 0.00 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1nhe h LEU 52 CO 0.00 0.18 -0.57 0.49 -0.34 0.00 0.00 178.44 178.20 1nhe n PHE 53 N -4.81 0.00 -3.56 1.25 3.72 -1.26 -4.15 117.46 108.65 1nhe n PHE 53 Ca 0.25 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.40 1nhe n PHE 53 Cb 0.68 -0.08 0.04 0.00 -0.94 0.00 0.00 39.48 39.18 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 -0.88 -1.42 -2.77 -1.08 1.13 -0.63 -4.93 117.38 106.80 1nhe n GLN 54 Ca 0.08 0.63 -0.42 0.00 -1.94 0.00 0.00 57.00 55.36 1nhe n GLN 54 Cb 0.37 -4.45 -0.03 0.00 0.11 0.00 0.00 30.24 26.24 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 -3.38 4.89 0.32 5.09 1.01 -0.81 -4.42 121.20 123.90 1nhe s ILE 55 Ca 0.41 1.95 -0.22 0.00 0.00 0.00 0.00 60.65 62.79 1nhe s ILE 55 Cb -0.13 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 37.98 1nhe s ILE 55 CO 0.83 0.16 0.87 -0.55 0.00 0.00 0.00 174.94 176.26 1nhe s SER 56 N 0.98 7.14 0.00 3.58 0.15 -1.26 0.24 113.70 124.53 1nhe s SER 56 Ca 0.49 1.65 0.29 0.00 0.70 0.00 0.00 55.95 59.08 1nhe s SER 56 Cb -0.20 -2.51 1.19 0.00 -1.71 0.00 0.00 66.02 62.79 1nhe s SER 56 CO 0.26 -0.11 1.83 -0.90 1.20 0.00 0.00 173.24 175.52 1nhe n ASP 57 N 0.29 0.62 -0.12 5.45 5.75 -0.53 -2.16 116.55 125.86 1nhe n ASP 57 Ca 0.02 -0.74 -0.07 0.00 -0.01 0.00 0.00 54.79 53.99 1nhe n ASP 57 Cb 0.51 -0.03 0.10 0.00 -1.03 0.00 0.00 41.12 40.67 1nhe n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1nhe h ARG 58 N 0.80 0.83 0.00 0.11 2.43 -1.81 -3.41 114.38 113.33 1nhe h ARG 58 Ca 0.00 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1nhe h ARG 58 Cb 0.37 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1nhe h ARG 58 CO 0.00 0.91 -0.16 1.19 -1.51 0.00 0.00 179.97 180.40 1nhe n PHE 59 N -4.15 0.00 -0.05 2.20 3.72 -1.25 -4.38 117.46 113.55 1nhe n PHE 59 Ca 0.01 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.34 1nhe n PHE 59 Cb 0.38 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.78 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 0.58 -4.01 1.38 7.02 -0.92 -0.63 117.44 120.44 1nhe n TRP 60 Ca 0.00 0.21 -0.08 0.00 -1.02 0.00 0.00 57.50 56.61 1nhe n TRP 60 Cb 0.03 -1.08 -0.09 0.00 -2.42 0.00 0.00 31.31 27.75 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 -3.90 4.26 0.23 0.00 2.20 -0.08 -4.52 119.74 117.93 1nhe s LYS 62 Ca 0.06 0.62 0.11 0.00 -0.36 0.00 0.00 55.97 56.41 1nhe s LYS 62 Cb 0.07 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1nhe s LYS 62 CO -0.10 -0.14 -0.22 -1.54 -0.36 0.00 0.00 175.35 172.99 1nhe s SER 63 N 1.07 3.44 0.62 1.43 1.04 -1.25 -0.34 113.70 119.70 1nhe s SER 63 Ca 0.29 -0.94 0.33 0.00 0.48 0.00 0.00 55.95 56.11 1nhe s SER 63 Cb -0.16 -0.27 1.87 0.00 0.10 0.00 0.00 66.02 67.57 1nhe s SER 63 CO 0.11 0.07 2.18 0.28 0.98 0.00 0.00 173.24 176.87 1nhe h SER 64 N 2.81 0.00 0.66 7.02 0.02 -2.01 -1.40 113.55 120.65 1nhe h SER 64 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1nhe h SER 64 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1nhe h SER 64 CO 0.53 0.00 -1.23 -0.62 -1.14 0.00 0.00 176.83 174.37 1nhe n GLU 65 N -3.55 0.56 -3.25 3.45 1.02 -1.26 -4.52 120.64 113.08 1nhe n GLU 65 Ca -0.01 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 1nhe n GLU 65 Cb 0.21 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 1nhe n GLU 65 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1nhe n PHE 66 N -2.44 2.64 0.84 -0.32 7.35 -0.53 -4.92 117.46 120.08 1nhe n PHE 66 Ca -0.01 -3.98 0.04 0.00 -0.76 0.00 0.00 57.45 52.75 1nhe n PHE 66 Cb 0.53 -0.49 0.23 0.00 0.35 0.00 0.00 39.48 40.10 1nhe n PHE 66 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1nhe n PRO 67 N 0.67 0.42 0.00 -7.13 -0.02 -1.21 -2.28 135.00 125.46 1nhe n PRO 67 Ca 0.28 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.80 1nhe n PRO 67 Cb 0.45 -1.29 -0.01 0.00 -0.02 0.00 0.00 33.50 32.63 1nhe n PRO 67 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1nhe n GLU 68 N -0.79 2.83 -1.57 -0.52 0.00 -1.26 -5.02 120.64 114.30 1nhe n GLU 68 Ca 0.06 -0.39 -0.46 0.00 0.00 0.00 0.00 57.16 56.37 1nhe n GLU 68 Cb 0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 31.44 30.47 1nhe n GLU 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1nhe n SER 69 N -0.54 1.16 0.24 -1.84 2.88 -0.96 -4.76 113.62 109.80 1nhe n SER 69 Ca 0.03 1.17 0.14 0.00 -1.33 0.00 0.00 58.87 58.87 1nhe n SER 69 Cb 0.16 -1.25 0.74 0.00 -0.75 0.00 0.00 64.21 63.11 1nhe n SER 69 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1nhe h GLU 70 N 2.33 0.00 -6.86 -1.46 3.07 -1.76 -3.45 114.58 106.45 1nhe h GLU 70 Ca -0.40 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 57.89 1nhe h GLU 70 Cb 1.35 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.18 1nhe h GLU 70 CO 0.63 0.00 -0.98 -1.71 -1.40 0.00 0.00 179.01 175.56 1nhe n ASN 71 N -2.55 -2.04 -0.26 1.42 4.05 -1.12 -4.76 115.26 110.00 1nhe n ASN 71 Ca -0.02 -1.23 0.17 0.00 0.45 0.00 0.00 54.58 53.95 1nhe n ASN 71 Cb 0.18 -2.00 0.46 0.00 1.23 0.00 0.00 39.78 39.65 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 -2.18 0.71 0.00 -1.44 2.04 -0.87 0.41 117.51 116.18 1nhe h ILE 72 Ca -0.68 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1nhe h ILE 72 Cb 1.40 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1nhe h ILE 72 CO 0.59 0.09 -0.04 0.00 0.00 0.00 0.00 178.15 178.79 1nhe n GLY 74 N 1.43 -0.41 3.16 0.00 0.00 0.14 -4.99 105.19 104.53 1nhe n GLY 74 Ca 0.06 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.38 0.14 -0.04 -0.61 -4.36 -1.26 -5.05 121.20 106.64 1nhe s ILE 75 Ca 0.03 -1.13 -0.30 0.00 -0.26 0.00 0.00 60.65 58.99 1nhe s ILE 75 Cb -0.00 -1.12 -0.02 0.00 1.25 0.00 0.00 42.46 42.56 1nhe s ILE 75 CO 0.74 -0.62 1.01 -0.55 0.24 0.00 0.00 174.94 175.75 1nhe s SER 76 N -2.45 7.30 0.35 4.36 0.15 -1.26 -0.90 113.70 121.25 1nhe s SER 76 Ca -0.00 1.64 0.11 0.00 0.70 0.00 0.00 55.95 58.40 1nhe s SER 76 Cb 0.02 -2.56 0.90 0.00 -1.71 0.00 0.00 66.02 62.67 1nhe s SER 76 CO -0.07 -0.35 1.80 0.00 1.20 0.00 0.00 173.24 175.82 1nhe h ASP 78 N 0.60 0.06 0.25 0.00 3.32 -1.91 0.28 116.42 119.03 1nhe h ASP 78 Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 1nhe h ASP 78 Cb 1.07 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1nhe h ASP 78 CO -0.30 0.03 0.00 0.29 -1.72 0.00 0.00 179.24 177.54 1nhe n LYS 79 N -4.37 0.23 -0.06 3.56 4.01 -0.10 -1.50 118.16 119.93 1nhe n LYS 79 Ca 0.13 0.13 0.12 0.00 -0.51 0.00 0.00 58.31 58.19 1nhe n LYS 79 Cb 0.70 -1.50 0.24 0.00 -0.51 0.00 0.00 35.03 33.96 1nhe n LYS 79 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1nhe n LEU 80 N -1.26 2.71 -0.72 -0.35 4.77 1.00 -4.11 117.00 119.03 1nhe n LEU 80 Ca 0.07 -1.02 0.08 0.00 -0.03 0.00 0.00 56.01 55.12 1nhe n LEU 80 Cb 0.11 -0.09 0.12 0.00 -2.33 0.00 0.00 43.42 41.23 1nhe n LEU 80 CO 0.11 0.51 0.56 0.18 -1.33 0.00 0.00 177.39 177.42 1nhe n LEU 81 N 1.06 2.66 0.00 2.23 4.77 -0.56 -3.72 117.00 123.44 1nhe n LEU 81 Ca 0.17 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 1nhe n LEU 81 Cb 0.53 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1nhe n LEU 81 CO 0.15 0.56 0.00 -0.90 -1.33 0.00 0.00 177.39 175.87 1nhe n ASP 82 N 0.90 0.00 -0.87 -1.43 5.68 -1.26 -4.36 116.55 115.21 1nhe n ASP 82 Ca 0.12 -0.17 0.07 0.00 -0.50 0.00 0.00 54.79 54.30 1nhe n ASP 82 Cb 0.43 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.62 1nhe n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1nhe n ASP 83 N -0.52 3.46 -4.47 -1.12 9.92 -1.26 -4.75 116.55 117.81 1nhe n ASP 83 Ca 0.00 -2.29 -0.41 0.00 -0.53 0.00 0.00 54.79 51.57 1nhe n ASP 83 Cb 0.00 -0.37 -0.11 0.00 -0.64 0.00 0.00 41.12 40.01 1nhe n ASP 83 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1nhe s GLU 84 N -1.52 3.20 0.09 -1.24 2.02 -1.26 -4.97 118.70 115.02 1nhe s GLU 84 Ca 0.33 -0.84 0.24 0.00 0.02 0.00 0.00 54.97 54.72 1nhe s GLU 84 Cb 0.21 -3.80 0.30 0.00 0.10 0.00 0.00 34.13 30.94 1nhe s GLU 84 CO 0.17 -0.57 1.27 1.28 0.02 0.00 0.00 175.26 177.43 1nhe n LEU 85 N 5.08 0.65 -0.25 1.80 4.32 -1.26 -4.44 117.00 122.89 1nhe n LEU 85 Ca -0.12 0.15 0.01 0.00 -0.02 0.00 0.00 56.01 56.03 1nhe n LEU 85 Cb 0.48 -0.17 0.09 0.00 -1.62 0.00 0.00 43.42 42.19 1nhe n LEU 85 CO 0.37 -0.01 0.72 0.44 -1.22 0.00 0.00 177.39 177.69 1nhe h ASP 86 N 0.00 -0.67 0.74 -1.43 5.19 -1.93 0.49 116.42 118.81 1nhe h ASP 86 Ca 0.00 0.22 -0.11 0.00 -0.62 0.00 0.00 57.03 56.52 1nhe h ASP 86 Cb 0.71 0.45 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 1nhe h ASP 86 CO 0.00 -0.24 -0.50 -2.24 -3.12 0.00 0.00 179.24 173.14 1nhe h ASP 87 N 0.00 0.00 -0.23 6.45 2.03 -1.93 -0.61 116.42 122.13 1nhe h ASP 87 Ca 0.35 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.49 1nhe h ASP 87 Cb 0.54 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.03 1nhe h ASP 87 CO -0.75 0.50 -0.44 0.44 -1.03 0.00 0.00 179.24 177.97 1nhe h ASP 88 N 0.00 0.85 -0.41 4.15 3.32 -0.99 -1.97 116.42 121.37 1nhe h ASP 88 Ca -0.01 -0.41 -0.14 0.00 0.02 0.00 0.00 57.03 56.50 1nhe h ASP 88 Cb 1.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1nhe h ASP 88 CO 0.07 1.16 -0.27 0.40 -1.72 0.00 0.00 179.24 178.88 1nhe h ILE 89 N 0.63 1.28 -0.42 0.35 2.04 0.09 -1.04 117.51 120.44 1nhe h ILE 89 Ca 0.04 -1.44 -0.08 0.00 1.00 0.00 0.00 64.86 64.38 1nhe h ILE 89 Cb 1.01 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1nhe h ILE 89 CO 0.10 0.48 -0.07 0.00 0.00 0.00 0.00 178.15 178.66 1nhe h ALA 90 N 0.80 1.08 -0.14 1.87 0.00 -1.00 0.04 119.26 121.92 1nhe h ALA 90 Ca 0.08 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 1nhe h ALA 90 Cb 0.85 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1nhe h ALA 90 CO 0.07 0.57 -0.74 0.00 0.00 0.00 0.00 179.25 179.15 1nhe h ALA 92 N 0.70 0.94 -0.47 0.00 0.00 -0.70 0.22 119.26 119.95 1nhe h ALA 92 Ca -0.04 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1nhe h ALA 92 Cb 1.35 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1nhe h ALA 92 CO 0.15 0.41 0.32 0.87 0.00 0.00 0.00 179.25 180.99 1nhe h LYS 93 N 1.00 0.32 -0.03 0.00 1.57 -0.74 0.16 116.57 118.86 1nhe h LYS 93 Ca 0.26 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.78 1nhe h LYS 93 Cb -0.02 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.23 1nhe h LYS 93 CO -0.05 0.21 -0.95 0.87 -0.57 0.00 0.00 179.45 178.96 1nhe h LYS 94 N 0.33 0.63 -0.90 3.15 1.57 -0.54 -2.80 116.57 118.01 1nhe h LYS 94 Ca 0.21 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1nhe h LYS 94 Cb 0.40 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1nhe h LYS 94 CO -0.05 1.24 0.58 0.82 -0.57 0.00 0.00 179.45 181.47 1nhe h ILE 95 N 0.37 1.24 0.02 1.86 2.04 0.19 -1.53 117.51 121.71 1nhe h ILE 95 Ca -0.10 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1nhe h ILE 95 Cb 1.59 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1nhe h ILE 95 CO 0.18 0.24 -0.01 -0.07 0.00 0.00 0.00 178.15 178.49 1nhe h LEU 96 N 1.23 -0.02 -1.01 1.44 3.38 -1.00 0.26 115.31 119.58 1nhe h LEU 96 Ca 0.33 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1nhe h LEU 96 Cb -0.11 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1nhe h LEU 96 CO -0.07 0.13 0.51 0.00 0.09 0.00 0.00 178.44 179.10 1nhe h ALA 97 N 0.81 1.26 0.12 1.53 0.00 -1.29 0.18 119.26 121.87 1nhe h ALA 97 Ca -0.00 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 1nhe h ALA 97 Cb 0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1nhe h ALA 97 CO 0.00 0.63 -1.63 0.82 0.00 0.00 0.00 179.25 179.07 1nhe h ILE 98 N 1.21 0.89 0.00 0.00 2.04 -1.24 -3.42 117.51 116.98 1nhe h ILE 98 Ca 0.31 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.79 1nhe h ILE 98 Cb -0.03 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1nhe h ILE 98 CO -0.06 0.76 -1.00 1.17 0.00 0.00 0.00 178.15 179.02 1nhe n LYS 99 N -3.78 0.88 0.00 2.37 4.81 0.80 -5.08 118.16 118.16 1nhe n LYS 99 Ca -0.27 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.14 1nhe n LYS 99 Cb 0.96 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 35.00 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 2.16 -1.33 0.20 3.14 0.00 0.63 -4.50 105.19 105.49 1nhe n GLY 100 Ca -0.00 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.04 -0.61 6.09 -1.86 -2.24 117.51 118.85 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 0.35 0.00 0.00 0.47 0.00 0.00 36.82 37.64 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 -2.22 0.23 -0.16 2.19 10.43 -1.26 -2.39 116.55 123.36 1nhe n ASP 102 Ca -0.01 -1.79 -0.11 0.00 2.57 0.00 0.00 54.79 55.45 1nhe n ASP 102 Cb 0.36 -0.02 -0.00 0.00 1.84 0.00 0.00 41.12 43.29 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 0.27 1.09 -1.65 1.24 3.20 -1.67 -3.35 116.97 116.11 1nhe h TYR 103 Ca 0.00 -0.25 -0.62 0.00 3.14 0.00 0.00 58.73 60.99 1nhe h TYR 103 Cb 0.06 -0.26 -0.12 0.00 1.54 0.00 0.00 36.73 37.95 1nhe h TYR 103 CO 0.02 1.06 1.23 -1.58 -1.64 0.00 0.00 178.16 177.26 1nhe s TRP 104 N -4.72 2.67 -0.68 -3.82 0.51 -1.01 -4.88 118.94 107.02 1nhe s TRP 104 Ca -0.12 -0.91 0.05 0.00 -2.12 0.00 0.00 56.10 53.01 1nhe s TRP 104 Cb 0.12 -4.56 0.29 0.00 -0.81 0.00 0.00 33.47 28.51 1nhe s TRP 104 CO 0.86 -1.82 1.12 1.63 -0.51 0.00 0.00 176.95 178.23 1nhe n LYS 105 N 8.24 0.04 0.17 4.98 5.02 -1.26 -1.04 118.16 134.30 1nhe n LYS 105 Ca 0.26 0.49 0.12 0.00 -2.02 0.00 0.00 58.31 57.17 1nhe n LYS 105 Cb 0.50 -1.68 0.24 0.00 -0.02 0.00 0.00 35.03 34.07 1nhe n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nhe h ALA 106 N 1.77 0.95 0.09 7.82 0.00 -1.91 -3.39 119.26 124.60 1nhe h ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nhe h ALA 106 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nhe h ALA 106 CO 0.00 0.00 -0.18 -0.92 0.00 0.00 0.00 179.25 178.15 1nhe h TYR 107 N 0.00 -0.52 0.52 0.00 3.20 -1.40 -0.66 116.97 118.11 1nhe h TYR 107 Ca 0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1nhe h TYR 107 Cb 0.90 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 1nhe h TYR 107 CO 0.00 -0.22 -0.48 0.87 -1.64 0.00 0.00 178.16 176.69 1nhe h LYS 108 N -0.30 -0.96 -0.26 1.82 1.57 -1.79 0.48 116.57 117.13 1nhe h LYS 108 Ca -0.01 0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1nhe h LYS 108 Cb 0.28 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1nhe h LYS 108 CO -0.07 -0.64 -0.12 -1.00 -0.57 0.00 0.00 179.45 177.05 1nhe h PRO 109 N -1.00 0.43 0.00 3.15 0.13 -1.76 -3.30 132.00 129.65 1nhe h PRO 109 Ca -0.06 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.92 1nhe h PRO 109 Cb 0.86 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1nhe h PRO 109 CO -0.04 0.55 -1.68 -1.33 -0.23 0.00 0.00 178.00 175.27 1nhe n MET 110 N -4.22 0.62 -0.40 0.86 2.81 -0.26 -4.68 117.12 111.85 1nhe n MET 110 Ca 0.00 -0.11 0.06 0.00 -1.81 0.00 0.00 57.70 55.84 1nhe n MET 110 Cb 0.30 -1.34 0.19 0.00 -0.71 0.00 0.00 33.22 31.67 1nhe n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nhe n SER 112 N -1.08 0.59 -4.08 0.00 7.64 -1.22 -4.93 113.62 110.54 1nhe n SER 112 Ca 0.21 -0.11 -0.10 0.00 1.01 0.00 0.00 58.87 59.88 1nhe n SER 112 Cb 0.79 0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 64.21 1nhe n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1nhe s GLU 113 N -3.09 1.29 -0.83 1.43 -1.05 -1.26 -4.98 118.70 110.21 1nhe s GLU 113 Ca 0.08 -1.40 -0.02 0.00 -0.15 0.00 0.00 54.97 53.48 1nhe s GLU 113 Cb 0.16 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1nhe s GLU 113 CO 0.72 -0.48 0.65 1.63 0.95 0.00 0.00 175.26 178.74 1nhe n LYS 114 N -0.29 -1.42 -0.02 -4.83 5.02 -1.26 -4.92 118.16 110.45 1nhe n LYS 114 Ca -0.02 0.99 0.02 0.00 -2.02 0.00 0.00 58.31 57.28 1nhe n LYS 114 Cb 0.64 -3.68 -0.13 0.00 -0.02 0.00 0.00 35.03 31.84 1nhe n LYS 114 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nhe n LEU 115 N -2.49 0.30 -0.30 -0.35 4.77 -1.26 -4.34 117.00 113.34 1nhe n LEU 115 Ca -0.19 0.13 0.13 0.00 -0.03 0.00 0.00 56.01 56.06 1nhe n LEU 115 Cb 0.62 0.17 0.29 0.00 -2.33 0.00 0.00 43.42 42.16 1nhe n LEU 115 CO 0.60 0.18 0.93 -0.08 -1.33 0.00 0.00 177.39 177.69 1nhe h GLU 116 N 0.00 0.18 -0.06 3.23 4.57 -1.98 0.11 114.58 120.64 1nhe h GLU 116 Ca -0.21 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 57.97 1nhe h GLU 116 Cb 1.54 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.09 1nhe h GLU 116 CO 0.02 0.12 0.09 -0.56 -1.18 0.00 0.00 179.01 177.50 1nhe h GLN 117 N 0.19 0.00 -0.00 1.92 3.07 -1.99 -2.80 115.11 115.49 1nhe h GLN 117 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.29 1nhe h GLN 117 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.69 1nhe h GLN 117 CO -0.67 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.16 1nhe n TRP 118 N -3.59 0.00 -2.43 0.06 7.02 0.40 -4.90 117.44 113.99 1nhe n TRP 118 Ca -0.01 -0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.12 1nhe n TRP 118 Cb 0.18 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.05 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 -2.00 3.71 -0.26 -0.99 3.52 -1.06 -4.79 118.95 117.07 1nhe s ARG 119 Ca 0.45 1.49 -0.24 0.00 -0.13 0.00 0.00 55.73 57.30 1nhe s ARG 119 Cb 0.22 -2.15 -0.00 0.00 -1.56 0.00 0.00 34.95 31.46 1nhe s ARG 119 CO 0.36 -0.53 0.81 0.00 -0.81 0.00 0.00 175.30 175.13 1nhe n GLU 121 N 6.08 1.81 -3.84 0.00 -0.58 -1.26 -4.84 120.64 118.01 1nhe n GLU 121 Ca 0.05 -1.51 -0.12 0.00 -0.42 0.00 0.00 57.16 55.16 1nhe n GLU 121 Cb 0.48 -1.64 -0.10 0.00 -0.57 0.00 0.00 31.44 29.61 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 -1.56 0.48 0.00 3.49 1.02 -1.26 -5.22 119.74 116.69 1nhe s LYS 122 Ca 0.33 -0.23 0.16 0.00 0.02 0.00 0.00 55.97 56.25 1nhe s LYS 122 Cb 0.24 0.21 0.95 0.00 -0.52 0.00 0.00 37.83 38.71 1nhe s LYS 122 CO -0.03 -0.11 1.36 -2.30 -0.92 0.00 0.00 175.35 173.35