#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1y s SER 2 N 0.00 -0.43 0.00 0.00 0.15 -1.26 -5.01 113.70 107.15 1u1y s SER 2 Ca 0.00 0.72 0.11 0.00 0.70 0.00 0.00 55.95 57.48 1u1y s SER 2 Cb 0.00 1.07 0.18 0.00 -1.71 0.00 0.00 66.02 65.56 1u1y s SER 2 CO 0.00 -0.12 1.03 -0.46 1.20 0.00 0.00 173.24 174.89 1u1y n ASN 3 N 3.24 2.37 -3.78 5.45 0.23 -1.26 -4.66 115.26 116.85 1u1y n ASN 3 Ca -0.17 -1.69 -0.42 0.00 -0.53 0.00 0.00 54.58 51.77 1u1y n ASN 3 Cb 0.57 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1u1y n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1u1y n PHE 4 N 0.61 2.68 -4.52 -2.53 7.35 -1.26 -4.91 117.46 114.88 1u1y n PHE 4 Ca 0.09 -2.73 -0.26 0.00 -0.76 0.00 0.00 57.45 53.79 1u1y n PHE 4 Cb 0.35 -1.72 -0.08 0.00 0.35 0.00 0.00 39.48 38.38 1u1y n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1u1y s THR 5 N -1.01 0.63 0.47 -2.13 -4.23 -1.26 -4.81 115.64 103.30 1u1y s THR 5 Ca 0.41 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.73 1u1y s THR 5 Cb 0.11 -2.35 -0.09 0.00 1.34 0.00 0.00 72.50 71.51 1u1y s THR 5 CO -0.01 0.00 0.98 0.00 -0.54 0.00 0.00 174.62 175.05 1u1y s GLN 6 N -3.72 4.04 0.20 3.99 -2.07 -1.26 -4.55 119.66 116.29 1u1y s GLN 6 Ca 0.23 1.09 -0.13 0.00 -1.82 0.00 0.00 55.36 54.73 1u1y s GLN 6 Cb 0.03 -2.15 0.01 0.00 -1.09 0.00 0.00 33.01 29.81 1u1y s GLN 6 CO 0.14 -0.20 0.43 -0.59 -1.32 0.00 0.00 175.29 173.76 1u1y s PHE 7 N -2.34 0.17 -0.30 9.60 -0.71 -0.74 -5.00 117.98 118.67 1u1y s PHE 7 Ca 0.61 -0.53 -0.23 0.00 -1.04 0.00 0.00 56.93 55.74 1u1y s PHE 7 Cb -0.10 0.19 -0.00 0.00 -1.21 0.00 0.00 43.02 41.90 1u1y s PHE 7 CO 0.22 -0.87 0.78 0.08 -1.34 0.00 0.00 175.22 174.09 1u1y s VAL 8 N -3.94 4.80 -0.07 -2.49 1.01 -1.26 -1.31 120.40 117.14 1u1y s VAL 8 Ca 0.15 1.19 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 1u1y s VAL 8 Cb 0.00 -4.14 -0.30 0.00 0.00 0.00 0.00 36.38 31.95 1u1y s VAL 8 CO 0.01 -0.24 0.66 0.25 0.00 0.00 0.00 175.10 175.78 1u1y h LEU 9 N 9.44 0.53 -7.93 3.92 5.85 -1.31 -3.44 115.31 122.36 1u1y h LEU 9 Ca -0.24 -0.91 -0.64 0.00 0.84 0.00 0.00 57.88 56.93 1u1y h LEU 9 Cb 1.10 -0.17 -0.36 0.00 0.37 0.00 0.00 40.66 41.60 1u1y h LEU 9 CO 0.88 1.69 -0.83 -0.69 -0.34 0.00 0.00 178.44 179.14 1u1y s VAL 10 N -2.53 1.85 -0.52 1.05 1.01 -1.03 -4.99 120.40 115.24 1u1y s VAL 10 Ca -0.17 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.65 1u1y s VAL 10 Cb 0.04 -1.79 0.07 0.00 0.00 0.00 0.00 36.38 34.71 1u1y s VAL 10 CO 0.82 0.36 0.63 -0.62 0.00 0.00 0.00 175.10 176.29 1u1y s ASP 11 N 1.34 6.21 -0.82 3.32 -1.08 -1.26 -1.12 116.67 123.26 1u1y s ASP 11 Ca 0.02 -1.03 0.02 0.00 -0.52 0.00 0.00 52.55 51.03 1u1y s ASP 11 Cb -0.15 -2.29 0.27 0.00 -1.46 0.00 0.00 42.92 39.29 1u1y s ASP 11 CO -0.10 -0.93 1.01 0.59 0.52 0.00 0.00 175.17 176.25 1u1y n ASN 12 N 6.17 4.73 0.00 -0.34 3.02 -1.26 -4.97 115.26 122.61 1u1y n ASN 12 Ca -0.07 -3.41 0.00 0.00 -0.03 0.00 0.00 54.58 51.07 1u1y n ASN 12 Cb 0.45 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 1u1y n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u1y n GLY 13 N 1.16 1.64 0.00 7.41 0.00 -1.26 -3.18 105.19 110.95 1u1y n GLY 13 Ca 0.28 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1u1y n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u1y n GLY 14 N 0.00 0.97 0.98 -0.02 0.00 -1.26 -5.01 105.19 100.85 1u1y n GLY 14 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u1y n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u1y n THR 15 N 0.00 0.14 0.39 2.61 -2.24 -1.19 -4.76 114.28 109.23 1u1y n THR 15 Ca 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1u1y n THR 15 Cb 0.47 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 1u1y n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1y n GLY 16 N 3.45 1.40 3.76 3.38 0.00 -1.24 -4.86 105.19 111.08 1u1y n GLY 16 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1u1y n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1y s ASP 17 N 1.26 6.86 -0.34 1.61 1.01 -1.26 -4.50 116.67 121.31 1u1y s ASP 17 Ca 0.00 2.54 -0.14 0.00 0.71 0.00 0.00 52.55 55.66 1u1y s ASP 17 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1u1y s ASP 17 CO 0.00 -0.50 0.30 -0.69 0.21 0.00 0.00 175.17 174.49 1u1y s VAL 18 N -0.64 5.23 -0.04 -1.27 1.01 -0.28 -4.98 120.40 119.43 1u1y s VAL 18 Ca 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 1u1y s VAL 18 Cb -0.38 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1u1y s VAL 18 CO 0.46 -0.04 0.04 -0.89 0.00 0.00 0.00 175.10 174.67 1u1y s THR 19 N 1.87 4.50 -0.08 3.92 2.01 -1.26 -0.79 115.64 125.82 1u1y s THR 19 Ca 0.09 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 61.78 1u1y s THR 19 Cb -0.17 -2.98 -0.00 0.00 0.01 0.00 0.00 72.50 69.36 1u1y s THR 19 CO 0.11 0.47 -0.23 0.54 -0.69 0.00 0.00 174.62 174.82 1u1y s VAL 20 N -1.05 1.92 0.13 3.82 0.11 -0.43 -4.22 120.40 120.68 1u1y s VAL 20 Ca 0.18 -0.96 0.10 0.00 -2.93 0.00 0.00 61.98 58.37 1u1y s VAL 20 Cb -0.12 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.04 1u1y s VAL 20 CO 0.08 0.53 -0.25 0.00 -3.33 0.00 0.00 175.10 172.13 1u1y s ALA 21 N 0.15 2.27 0.27 1.54 0.00 -0.28 -1.79 121.76 123.93 1u1y s ALA 21 Ca -0.11 -1.44 -0.30 0.00 0.00 0.00 0.00 51.96 50.11 1u1y s ALA 21 Cb -0.16 -0.34 -0.14 0.00 0.00 0.00 0.00 23.12 22.48 1u1y s ALA 21 CO 0.06 0.49 1.18 -2.30 0.00 0.00 0.00 175.76 175.19 1u1y n PRO 22 N 0.86 1.64 0.00 0.00 -0.02 -1.26 -0.88 135.00 135.34 1u1y n PRO 22 Ca -0.18 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1u1y n PRO 22 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1u1y n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1u1y n SER 23 N 1.47 2.17 -3.56 2.55 3.41 -0.09 -4.79 113.62 114.77 1u1y n SER 23 Ca 0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.54 1u1y n SER 23 Cb 0.31 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 1u1y n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1u1y s ASN 24 N -3.66 -0.69 -0.37 4.04 3.84 -1.17 -5.03 114.94 111.91 1u1y s ASN 24 Ca 0.00 1.01 0.12 0.00 0.21 0.00 0.00 52.86 54.20 1u1y s ASN 24 Cb 0.00 0.91 0.36 0.00 -0.55 0.00 0.00 41.25 41.97 1u1y s ASN 24 CO 0.00 -0.47 0.75 0.33 -2.79 0.00 0.00 177.10 174.92 1u1y n PHE 25 N 1.62 0.25 -4.10 0.43 7.35 -1.26 -0.40 117.46 121.35 1u1y n PHE 25 Ca -0.17 -3.74 -0.33 0.00 -0.76 0.00 0.00 57.45 52.45 1u1y n PHE 25 Cb 0.56 -0.42 -0.07 0.00 0.35 0.00 0.00 39.48 39.91 1u1y n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1u1y s ALA 26 N -2.48 3.58 -1.35 3.13 0.00 -1.22 -4.54 121.76 118.88 1u1y s ALA 26 Ca 0.39 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 1u1y s ALA 26 Cb 0.36 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.93 1u1y s ALA 26 CO -0.07 0.69 1.07 0.09 0.00 0.00 0.00 175.76 177.54 1u1y n ASN 27 N 1.17 -4.71 -0.88 0.00 5.03 -1.26 -2.29 115.26 112.32 1u1y n ASN 27 Ca -0.13 -0.62 -0.11 0.00 0.87 0.00 0.00 54.58 54.58 1u1y n ASN 27 Cb 0.53 -4.78 -0.05 0.00 -1.02 0.00 0.00 39.78 34.46 1u1y n ASN 27 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1u1y n GLY 28 N -1.73 1.17 3.07 7.41 0.00 -1.26 -4.97 105.19 108.88 1u1y n GLY 28 Ca -0.08 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1u1y n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1y s VAL 29 N -2.17 2.17 0.10 1.61 1.01 -0.97 -4.46 120.40 117.69 1u1y s VAL 29 Ca 0.00 -1.68 -0.28 0.00 0.00 0.00 0.00 61.98 60.02 1u1y s VAL 29 Cb 0.00 -2.30 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 1u1y s VAL 29 CO 0.00 -0.06 0.88 0.00 0.00 0.00 0.00 175.10 175.91 1u1y s ALA 30 N 1.09 3.31 -0.04 5.51 0.00 -0.39 -3.37 121.76 127.87 1u1y s ALA 30 Ca -0.08 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.37 1u1y s ALA 30 Cb -0.20 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1u1y s ALA 30 CO -0.05 0.04 -0.13 -2.00 0.00 0.00 0.00 175.76 173.62 1u1y s GLU 31 N -0.14 1.38 0.02 0.00 2.12 0.46 -1.08 118.70 121.47 1u1y s GLU 31 Ca 0.43 -0.45 0.09 0.00 0.36 0.00 0.00 54.97 55.40 1u1y s GLU 31 Cb -0.22 -1.23 -0.03 0.00 0.26 0.00 0.00 34.13 32.92 1u1y s GLU 31 CO 0.27 0.17 -0.26 -1.58 -0.54 0.00 0.00 175.26 173.32 1u1y s TRP 32 N 0.15 2.29 0.01 5.30 0.51 0.98 -0.91 118.94 127.27 1u1y s TRP 32 Ca -0.04 -0.42 0.00 0.00 -2.12 0.00 0.00 56.10 53.53 1u1y s TRP 32 Cb -0.10 -1.41 -0.01 0.00 -0.81 0.00 0.00 33.47 31.14 1u1y s TRP 32 CO 0.01 0.07 -0.03 0.42 -0.51 0.00 0.00 176.95 176.92 1u1y s ILE 33 N -0.73 0.15 0.65 2.03 -1.09 -0.06 -1.49 121.20 120.65 1u1y s ILE 33 Ca 0.11 -0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 57.99 1u1y s ILE 33 Cb -0.10 -0.20 -0.01 0.00 -1.58 0.00 0.00 42.46 40.57 1u1y s ILE 33 CO 0.01 -0.19 1.03 -0.94 -1.23 0.00 0.00 174.94 173.62 1u1y s SER 34 N -0.66 5.79 1.01 3.58 1.04 -0.88 -1.12 113.70 122.46 1u1y s SER 34 Ca -0.06 1.16 -0.13 0.00 0.48 0.00 0.00 55.95 57.41 1u1y s SER 34 Cb -0.05 -2.11 0.19 0.00 0.10 0.00 0.00 66.02 64.15 1u1y s SER 34 CO -0.00 -1.09 1.10 -0.55 0.98 0.00 0.00 173.24 173.68 1u1y s SER 35 N -4.27 2.58 0.31 7.02 0.15 -1.26 -4.71 113.70 113.51 1u1y s SER 35 Ca 0.56 1.11 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1u1y s SER 35 Cb -0.11 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 1u1y s SER 35 CO 0.51 -3.15 0.00 0.59 1.20 0.00 0.00 173.24 172.39 1u1y n ASN 36 N -4.18 -1.94 -2.76 5.45 3.02 -1.26 -4.81 115.26 108.78 1u1y n ASN 36 Ca 0.05 0.02 -0.39 0.00 -0.03 0.00 0.00 54.58 54.23 1u1y n ASN 36 Cb 0.58 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 1u1y n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1u1y n SER 37 N -0.35 0.64 0.21 6.41 7.64 -1.26 -4.76 113.62 122.15 1u1y n SER 37 Ca 0.00 0.62 0.08 0.00 1.01 0.00 0.00 58.87 60.59 1u1y n SER 37 Cb 0.01 -0.53 0.62 0.00 -1.01 0.00 0.00 64.21 63.30 1u1y n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1u1y h ARG 38 N 3.70 0.06 0.00 1.43 9.65 -1.90 -0.89 114.38 126.43 1u1y h ARG 38 Ca -0.20 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1u1y h ARG 38 Cb 0.83 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1u1y h ARG 38 CO 0.61 0.04 -0.02 0.66 2.80 0.00 0.00 179.97 184.06 1u1y h SER 39 N 0.07 0.00 -0.07 -3.80 4.64 -1.86 -2.68 113.55 109.85 1u1y h SER 39 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1u1y h SER 39 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1u1y h SER 39 CO -0.00 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1u1y n GLN 40 N -3.18 2.23 -2.90 4.77 6.02 -0.37 -3.73 117.38 120.21 1u1y n GLN 40 Ca -0.01 -2.19 -0.29 0.00 -0.01 0.00 0.00 57.00 54.49 1u1y n GLN 40 Cb 0.19 -1.35 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 1u1y n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u1y s ALA 41 N -2.05 3.41 0.29 -1.58 0.00 -1.01 -4.84 121.76 115.97 1u1y s ALA 41 Ca 0.22 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.65 1u1y s ALA 41 Cb 0.18 -2.61 -0.09 0.00 0.00 0.00 0.00 23.12 20.60 1u1y s ALA 41 CO 0.04 -0.02 0.81 0.71 0.00 0.00 0.00 175.76 177.29 1u1y s TYR 42 N -2.38 3.58 0.00 0.00 1.51 -1.26 -4.63 117.35 114.17 1u1y s TYR 42 Ca 0.49 1.49 0.04 0.00 -1.01 0.00 0.00 57.07 58.08 1u1y s TYR 42 Cb -0.10 -2.71 -0.01 0.00 -0.11 0.00 0.00 41.96 39.02 1u1y s TYR 42 CO 0.33 0.22 -0.11 0.21 -1.11 0.00 0.00 175.55 175.09 1u1y s LYS 43 N -2.29 0.89 -0.02 -0.62 2.20 -1.12 -2.06 119.74 116.72 1u1y s LYS 43 Ca 0.49 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 1u1y s LYS 43 Cb -0.15 -0.86 0.03 0.00 -1.51 0.00 0.00 37.83 35.34 1u1y s LYS 43 CO 0.20 0.23 0.02 0.08 -0.36 0.00 0.00 175.35 175.52 1u1y s VAL 44 N -0.39 0.04 0.10 4.02 1.01 -0.56 -1.03 120.40 123.60 1u1y s VAL 44 Ca 0.03 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1u1y s VAL 44 Cb -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 1u1y s VAL 44 CO -0.00 0.11 -0.13 0.42 0.00 0.00 0.00 175.10 175.50 1u1y s THR 45 N 1.03 1.15 -0.10 3.92 -4.23 -0.37 -0.01 115.64 117.02 1u1y s THR 45 Ca -0.09 -1.60 -0.17 0.00 -1.18 0.00 0.00 61.69 58.65 1u1y s THR 45 Cb -0.13 -1.37 0.04 0.00 1.34 0.00 0.00 72.50 72.38 1u1y s THR 45 CO -0.02 -0.42 0.43 0.00 -0.54 0.00 0.00 174.62 174.07 1u1y s SER 47 N -0.43 -0.46 0.06 0.00 1.04 -0.85 -1.26 113.70 111.80 1u1y s SER 47 Ca -0.06 0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.55 1u1y s SER 47 Cb -0.03 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1u1y s SER 47 CO 0.03 -0.78 -0.14 -0.69 0.98 0.00 0.00 173.24 172.64 1u1y s VAL 48 N -2.80 1.09 0.18 5.02 1.01 -1.26 -1.38 120.40 122.27 1u1y s VAL 48 Ca -0.03 -1.20 -0.20 0.00 0.00 0.00 0.00 61.98 60.54 1u1y s VAL 48 Cb -0.00 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.38 1u1y s VAL 48 CO -0.05 -0.16 0.57 0.00 0.00 0.00 0.00 175.10 175.46 1u1y s ARG 49 N -1.55 1.35 -0.84 2.72 3.03 -0.70 -4.99 118.95 117.97 1u1y s ARG 49 Ca -0.01 -0.70 -0.18 0.00 2.03 0.00 0.00 55.73 56.87 1u1y s ARG 49 Cb -0.09 0.56 0.14 0.00 -1.03 0.00 0.00 34.95 34.52 1u1y s ARG 49 CO 0.02 -0.59 0.99 -1.14 -1.13 0.00 0.00 175.30 173.45 1u1y s GLN 50 N -3.82 3.48 0.51 3.89 2.00 -1.26 0.09 119.66 124.55 1u1y s GLN 50 Ca 0.05 -1.76 0.17 0.00 -2.00 0.00 0.00 55.36 51.82 1u1y s GLN 50 Cb -0.01 -4.68 1.24 0.00 0.80 0.00 0.00 33.01 30.37 1u1y s GLN 50 CO -0.07 -1.65 2.11 0.66 -0.50 0.00 0.00 175.29 175.84 1u1y h SER 51 N 8.74 0.05 -2.10 6.67 4.64 -1.74 -3.46 113.55 126.36 1u1y h SER 51 Ca 0.05 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1u1y h SER 51 Cb 1.04 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1u1y h SER 51 CO 1.04 0.04 0.19 -1.54 -0.87 0.00 0.00 176.83 175.70 1u1y n SER 52 N -4.51 -1.31 -0.18 4.97 3.41 -1.11 -4.99 113.62 109.89 1u1y n SER 52 Ca -0.00 -1.88 -0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1u1y n SER 52 Cb 0.17 2.17 0.08 0.00 -0.26 0.00 0.00 64.21 66.38 1u1y n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1y h ALA 53 N 2.00 0.56 -0.01 7.33 0.00 -2.04 -3.06 119.26 124.05 1u1y h ALA 53 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u1y h ALA 53 Cb 0.73 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1u1y h ALA 53 CO 0.25 -0.38 -0.57 1.04 0.00 0.00 0.00 179.25 179.58 1u1y n GLN 54 N -5.24 1.64 -4.71 0.00 1.13 -1.26 -4.94 117.38 104.00 1u1y n GLN 54 Ca 0.07 -0.39 -0.34 0.00 -1.94 0.00 0.00 57.00 54.41 1u1y n GLN 54 Cb 0.31 -1.28 -0.12 0.00 0.11 0.00 0.00 30.24 29.26 1u1y n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1u1y s ASN 55 N -2.28 4.45 -0.10 1.08 0.01 -1.16 0.02 114.94 116.97 1u1y s ASN 55 Ca 0.10 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.17 1u1y s ASN 55 Cb 0.13 -1.08 -0.02 0.00 0.41 0.00 0.00 41.25 40.68 1u1y s ASN 55 CO 0.56 0.35 -0.10 -0.13 -1.51 0.00 0.00 177.10 176.27 1u1y s ARG 56 N -0.76 3.03 -0.09 -0.60 0.52 -0.68 -2.05 118.95 118.32 1u1y s ARG 56 Ca 0.12 -0.61 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 1u1y s ARG 56 Cb -0.11 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1u1y s ARG 56 CO 0.01 0.46 -0.20 0.21 0.02 0.00 0.00 175.30 175.80 1u1y s LYS 57 N -0.27 2.62 -0.13 3.54 2.20 0.11 -1.12 119.74 126.70 1u1y s LYS 57 Ca 0.03 -0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 54.84 1u1y s LYS 57 Cb -0.13 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.13 1u1y s LYS 57 CO 0.03 0.12 0.12 0.71 -0.36 0.00 0.00 175.35 175.96 1u1y s TYR 58 N 0.47 3.51 -0.19 4.03 1.51 0.56 -1.73 117.35 125.51 1u1y s TYR 58 Ca -0.17 0.44 0.00 0.00 -1.01 0.00 0.00 57.07 56.34 1u1y s TYR 58 Cb -0.17 -1.95 0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1u1y s TYR 58 CO 0.07 0.63 -0.08 0.99 -1.11 0.00 0.00 175.55 176.05 1u1y s THR 59 N -0.81 1.43 -0.00 -0.71 2.01 -0.48 -1.13 115.64 115.94 1u1y s THR 59 Ca 0.14 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.34 1u1y s THR 59 Cb -0.12 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 1u1y s THR 59 CO 0.03 0.14 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.24 1u1y s ILE 60 N 1.49 2.34 0.01 1.82 1.01 -0.10 -2.00 121.20 125.77 1u1y s ILE 60 Ca -0.01 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 59.54 1u1y s ILE 60 Cb -0.16 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 1u1y s ILE 60 CO -0.08 0.50 -0.06 -0.54 0.00 0.00 0.00 174.94 174.76 1u1y s LYS 61 N -0.88 0.48 -0.00 2.79 1.02 -0.56 -0.90 119.74 121.70 1u1y s LYS 61 Ca 0.11 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.71 1u1y s LYS 61 Cb -0.10 -0.39 -0.00 0.00 -0.52 0.00 0.00 37.83 36.81 1u1y s LYS 61 CO 0.01 0.10 -0.01 0.08 -0.92 0.00 0.00 175.35 174.60 1u1y s VAL 62 N -0.56 0.11 -0.11 3.17 1.01 -0.34 -1.24 120.40 122.45 1u1y s VAL 62 Ca -0.02 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1u1y s VAL 62 Cb -0.05 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.25 1u1y s VAL 62 CO 0.00 0.02 -0.14 -1.61 0.00 0.00 0.00 175.10 173.37 1u1y s GLU 63 N -0.06 2.07 -0.23 2.72 2.02 -0.19 -1.02 118.70 124.01 1u1y s GLU 63 Ca 0.00 -0.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 1u1y s GLU 63 Cb -0.01 -1.80 -0.00 0.00 0.10 0.00 0.00 34.13 32.42 1u1y s GLU 63 CO -0.00 -0.08 -0.04 0.08 0.02 0.00 0.00 175.26 175.23 1u1y s VAL 64 N 1.05 3.28 0.34 2.63 1.01 -0.52 -2.79 120.40 125.40 1u1y s VAL 64 Ca -0.06 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1u1y s VAL 64 Cb -0.15 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1u1y s VAL 64 CO -0.02 0.37 0.58 -2.16 0.00 0.00 0.00 175.10 173.86 1u1y s PRO 65 N 1.45 3.54 -0.51 2.72 0.04 -1.26 -0.41 135.00 140.58 1u1y s PRO 65 Ca 0.05 -0.14 -0.07 0.00 0.04 0.00 0.00 61.00 60.88 1u1y s PRO 65 Cb -0.15 -2.62 0.13 0.00 0.04 0.00 0.00 34.50 31.90 1u1y s PRO 65 CO -0.04 0.13 0.35 0.21 0.04 0.00 0.00 177.00 177.70 1u1y s LYS 66 N -4.08 2.44 0.29 4.56 2.47 -0.39 -4.96 119.74 120.06 1u1y s LYS 66 Ca 0.42 -1.97 -0.30 0.00 -1.56 0.00 0.00 55.97 52.57 1u1y s LYS 66 Cb -0.10 -3.84 -0.12 0.00 -1.46 0.00 0.00 37.83 32.32 1u1y s LYS 66 CO 0.35 -1.17 1.59 0.28 0.16 0.00 0.00 175.35 176.56 1u1y n VAL 67 N 4.51 1.01 -3.56 4.02 0.31 -1.26 -0.31 118.33 123.05 1u1y n VAL 67 Ca -0.02 -0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 63.96 1u1y n VAL 67 Cb 0.41 -1.94 -0.02 0.00 -0.91 0.00 0.00 33.84 31.38 1u1y n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u1y s ALA 68 N 0.00 -1.54 -0.14 3.52 0.00 -0.69 -4.74 121.76 118.17 1u1y s ALA 68 Ca 0.64 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.90 1u1y s ALA 68 Cb -0.50 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1u1y s ALA 68 CO 0.48 -0.84 -0.01 0.99 0.00 0.00 0.00 175.76 176.38 1u1y s THR 69 N -3.69 4.16 -0.23 0.00 2.01 -1.26 -1.02 115.64 115.61 1u1y s THR 69 Ca 0.05 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 61.72 1u1y s THR 69 Cb -0.02 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1u1y s THR 69 CO -0.07 0.52 0.01 -1.58 -0.69 0.00 0.00 174.62 172.81 1u1y s GLN 70 N 0.03 3.50 -0.20 4.92 0.74 0.17 -4.94 119.66 123.88 1u1y s GLN 70 Ca 0.02 -0.56 -0.06 0.00 0.05 0.00 0.00 55.36 54.81 1u1y s GLN 70 Cb -0.13 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 1u1y s GLN 70 CO 0.02 -0.19 0.02 0.99 -0.55 0.00 0.00 175.29 175.58 1u1y s THR 71 N 1.53 4.12 -0.18 -0.34 2.01 -1.26 -0.59 115.64 120.93 1u1y s THR 71 Ca 0.06 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 1u1y s THR 71 Cb -0.15 -2.87 0.09 0.00 0.01 0.00 0.00 72.50 69.59 1u1y s THR 71 CO -0.00 0.43 0.27 -0.69 -0.69 0.00 0.00 174.62 173.93 1u1y s VAL 72 N 0.94 -0.41 -0.07 3.82 1.01 -0.54 -4.81 120.40 120.34 1u1y s VAL 72 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1u1y s VAL 72 Cb -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1u1y s VAL 72 CO 0.02 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1u1y n GLY 73 N 5.34 0.48 1.27 4.51 0.00 -1.26 -2.43 105.19 113.10 1u1y n GLY 73 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1u1y n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u1y n GLY 74 N -2.63 0.81 3.50 -0.02 0.00 -1.26 -5.03 105.19 100.57 1u1y n GLY 74 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1u1y n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1y s VAL 75 N -2.78 5.12 -0.16 1.61 1.01 -1.02 -5.08 120.40 119.11 1u1y s VAL 75 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1u1y s VAL 75 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1u1y s VAL 75 CO 0.00 -0.01 0.06 -1.83 0.00 0.00 0.00 175.10 173.32 1u1y s GLU 76 N 1.69 3.75 0.13 2.72 -1.05 -1.26 -1.46 118.70 123.23 1u1y s GLU 76 Ca 0.06 -0.33 0.10 0.00 -0.15 0.00 0.00 54.97 54.64 1u1y s GLU 76 Cb -0.17 -3.14 -0.04 0.00 -0.44 0.00 0.00 34.13 30.34 1u1y s GLU 76 CO 0.10 0.40 -0.24 -0.51 0.95 0.00 0.00 175.26 175.96 1u1y s LEU 77 N 0.01 2.33 -0.19 1.83 1.43 0.25 -4.92 118.68 119.41 1u1y s LEU 77 Ca 0.06 -0.74 -0.28 0.00 -1.03 0.00 0.00 54.13 52.13 1u1y s LEU 77 Cb -0.12 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.04 1u1y s LEU 77 CO 0.01 0.11 0.99 -2.16 0.23 0.00 0.00 176.35 175.53 1u1y s PRO 78 N -2.09 4.31 0.16 1.29 0.05 -1.26 -0.65 135.00 136.80 1u1y s PRO 78 Ca 0.12 1.29 0.03 0.00 0.05 0.00 0.00 61.00 62.49 1u1y s PRO 78 Cb -0.10 -3.60 -0.01 0.00 0.05 0.00 0.00 34.50 30.84 1u1y s PRO 78 CO 0.06 -0.49 0.11 1.33 0.05 0.00 0.00 177.00 178.06 1u1y n VAL 79 N 5.02 0.00 -4.02 -0.36 0.24 -0.19 -4.70 118.33 114.33 1u1y n VAL 79 Ca 0.10 -1.11 -0.34 0.00 -2.04 0.00 0.00 64.34 60.95 1u1y n VAL 79 Cb 0.47 0.52 -0.15 0.00 -1.47 0.00 0.00 33.84 33.21 1u1y n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u1y s ALA 80 N -2.59 2.59 0.29 2.33 0.00 -1.24 -1.71 121.76 121.42 1u1y s ALA 80 Ca 0.16 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.69 1u1y s ALA 80 Cb 0.01 -1.55 0.67 0.00 0.00 0.00 0.00 23.12 22.25 1u1y s ALA 80 CO 0.11 -0.77 1.74 0.00 0.00 0.00 0.00 175.76 176.84 1u1y h ALA 81 N 7.95 1.46 -2.49 0.00 0.00 -0.95 -3.45 119.26 121.78 1u1y h ALA 81 Ca -0.33 0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.84 1u1y h ALA 81 Cb 1.10 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1u1y h ALA 81 CO 0.57 -0.18 0.48 1.67 0.00 0.00 0.00 179.25 181.79 1u1y s TRP 82 N -5.90 -0.05 0.04 0.00 1.48 -1.26 -5.02 118.94 108.23 1u1y s TRP 82 Ca -0.12 -0.32 0.02 0.00 -1.06 0.00 0.00 56.10 54.62 1u1y s TRP 82 Cb 0.24 0.68 -0.02 0.00 -1.16 0.00 0.00 33.47 33.21 1u1y s TRP 82 CO 0.79 -0.95 -0.08 1.03 -4.06 0.00 0.00 176.95 173.68 1u1y s ARG 83 N -2.91 0.55 -0.19 3.25 0.52 -1.26 -1.27 118.95 117.64 1u1y s ARG 83 Ca 0.15 -0.72 -0.08 0.00 -0.52 0.00 0.00 55.73 54.56 1u1y s ARG 83 Cb -0.02 -0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.05 1u1y s ARG 83 CO 0.04 0.07 0.09 0.45 0.02 0.00 0.00 175.30 175.97 1u1y s SER 84 N -1.45 5.86 -0.18 0.23 0.15 0.45 -4.94 113.70 113.81 1u1y s SER 84 Ca -0.08 0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.69 1u1y s SER 84 Cb -0.09 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.20 1u1y s SER 84 CO 0.01 0.18 -0.09 -0.31 1.20 0.00 0.00 173.24 174.22 1u1y s TYR 85 N 0.34 2.89 -0.19 3.44 1.51 -1.26 -1.44 117.35 122.64 1u1y s TYR 85 Ca 0.05 -0.89 -0.02 0.00 -1.01 0.00 0.00 57.07 55.21 1u1y s TYR 85 Cb -0.12 -1.98 -0.00 0.00 -0.11 0.00 0.00 41.96 39.74 1u1y s TYR 85 CO -0.01 -0.44 -0.10 -1.17 -1.11 0.00 0.00 175.55 172.73 1u1y s LEU 86 N 1.00 2.69 -0.13 -1.29 2.96 -0.19 -5.00 118.68 118.71 1u1y s LEU 86 Ca -0.01 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1u1y s LEU 86 Cb -0.15 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1u1y s LEU 86 CO -0.01 0.03 -0.15 0.20 -1.32 0.00 0.00 176.35 175.10 1u1y s ASN 87 N 1.15 2.64 0.03 3.68 0.02 -1.26 -1.20 114.94 120.00 1u1y s ASN 87 Ca 0.01 -0.48 0.04 0.00 -1.02 0.00 0.00 52.86 51.41 1u1y s ASN 87 Cb -0.14 -1.18 -0.02 0.00 0.02 0.00 0.00 41.25 39.93 1u1y s ASN 87 CO -0.03 -0.01 -0.11 0.00 0.02 0.00 0.00 177.10 176.96 1u1y s MET 88 N 1.22 0.78 -0.09 -0.60 0.23 -0.07 -5.02 119.30 115.75 1u1y s MET 88 Ca -0.01 -0.62 0.02 0.00 -1.03 0.00 0.00 55.69 54.06 1u1y s MET 88 Cb -0.14 -0.74 0.01 0.00 -1.53 0.00 0.00 34.83 32.43 1u1y s MET 88 CO -0.06 0.18 -0.15 -1.21 -2.03 0.00 0.00 175.02 171.75 1u1y s GLU 89 N -0.92 2.15 -0.16 3.16 2.02 -1.26 -0.92 118.70 122.77 1u1y s GLU 89 Ca 0.00 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.45 1u1y s GLU 89 Cb -0.07 -1.78 0.02 0.00 0.10 0.00 0.00 34.13 32.40 1u1y s GLU 89 CO 0.01 -0.01 -0.18 -1.17 0.02 0.00 0.00 175.26 173.93 1u1y s LEU 90 N 0.82 1.96 -0.21 1.80 2.96 -0.28 -4.97 118.68 120.76 1u1y s LEU 90 Ca -0.11 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.16 1u1y s LEU 90 Cb -0.16 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1u1y s LEU 90 CO 0.01 -0.00 0.04 -0.89 -1.32 0.00 0.00 176.35 174.19 1u1y s THR 91 N 1.26 4.36 -0.11 3.68 2.01 -1.26 -0.32 115.64 125.26 1u1y s THR 91 Ca 0.02 -0.17 -0.00 0.00 0.31 0.00 0.00 61.69 61.85 1u1y s THR 91 Cb -0.13 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.41 1u1y s THR 91 CO -0.10 0.41 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.54 1u1y s ILE 92 N 0.93 1.03 0.55 1.82 1.01 -0.28 -4.97 121.20 121.28 1u1y s ILE 92 Ca 0.03 -0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 1u1y s ILE 92 Cb -0.14 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 1u1y s ILE 92 CO 0.02 0.37 1.28 -2.84 0.00 0.00 0.00 174.94 173.77 1u1y s PRO 93 N 1.66 3.18 0.00 2.79 0.02 -1.26 -1.68 135.00 139.71 1u1y s PRO 93 Ca 0.04 2.04 0.04 0.00 0.02 0.00 0.00 61.00 63.14 1u1y s PRO 93 Cb -0.13 -2.18 0.22 0.00 0.02 0.00 0.00 34.50 32.43 1u1y s PRO 93 CO -0.08 -1.09 0.94 0.44 -0.33 0.00 0.00 177.00 176.88 1u1y n ILE 94 N -1.11 0.91 0.91 2.83 -5.35 0.10 -1.60 119.36 116.06 1u1y n ILE 94 Ca 0.11 0.23 0.13 0.00 -0.27 0.00 0.00 62.75 62.94 1u1y n ILE 94 Cb 0.47 -1.16 0.33 0.00 -1.74 0.00 0.00 39.64 37.54 1u1y n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1u1y n PHE 95 N -1.26 0.13 -2.12 4.28 3.72 -1.26 -4.87 117.46 116.07 1u1y n PHE 95 Ca 0.02 0.04 -0.42 0.00 -0.05 0.00 0.00 57.45 57.04 1u1y n PHE 95 Cb 0.03 -0.41 -0.03 0.00 -0.94 0.00 0.00 39.48 38.14 1u1y n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u1y s ALA 96 N -3.03 3.63 0.70 4.37 0.00 -0.62 -5.02 121.76 121.78 1u1y s ALA 96 Ca 0.11 1.13 -0.03 0.00 0.00 0.00 0.00 51.96 53.17 1u1y s ALA 96 Cb 0.17 -3.57 0.10 0.00 0.00 0.00 0.00 23.12 19.81 1u1y s ALA 96 CO 0.66 -0.73 0.63 0.25 0.00 0.00 0.00 175.76 176.57 1u1y n THR 97 N 4.13 0.00 0.05 0.00 -2.24 -1.26 -4.89 114.28 110.06 1u1y n THR 97 Ca 0.12 -0.82 -0.04 0.00 -2.27 0.00 0.00 64.05 61.05 1u1y n THR 97 Cb 0.42 -1.26 0.19 0.00 -2.10 0.00 0.00 70.33 67.58 1u1y n THR 97 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1u1y h ASN 98 N -0.52 0.40 -0.52 3.42 4.21 -1.99 -2.23 115.58 118.35 1u1y h ASN 98 Ca -0.21 -0.16 -0.10 0.00 1.21 0.00 0.00 56.30 57.05 1u1y h ASN 98 Cb 0.70 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.77 1u1y h ASN 98 CO 0.20 0.73 -0.07 0.28 -1.29 0.00 0.00 177.43 177.28 1u1y h SER 99 N 0.33 0.96 -0.85 5.81 0.02 -1.99 -0.55 113.55 117.28 1u1y h SER 99 Ca 0.04 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 1u1y h SER 99 Cb 0.78 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1u1y h SER 99 CO 0.06 1.07 0.49 0.44 -1.14 0.00 0.00 176.83 177.75 1u1y h ASP 100 N 0.84 1.05 0.23 3.07 3.32 -1.86 -2.17 116.42 120.89 1u1y h ASP 100 Ca 0.14 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 1u1y h ASP 100 Cb 0.62 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1u1y h ASP 100 CO 0.04 0.83 -0.61 0.00 -1.72 0.00 0.00 179.24 177.77 1u1y h GLU 102 N 0.28 0.89 -0.36 0.00 5.08 -0.72 -1.66 114.58 118.10 1u1y h GLU 102 Ca -0.01 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1u1y h GLU 102 Cb 1.15 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1u1y h GLU 102 CO 0.10 0.75 -0.09 1.25 -1.00 0.00 0.00 179.01 180.03 1u1y h LEU 103 N 0.87 0.70 -0.82 1.33 5.85 -1.20 -1.43 115.31 120.61 1u1y h LEU 103 Ca 0.20 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1u1y h LEU 103 Cb 0.21 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1u1y h LEU 103 CO -0.01 0.90 0.52 0.40 -0.34 0.00 0.00 178.44 179.91 1u1y h ILE 104 N 0.49 1.12 -0.52 4.05 2.04 -0.97 -0.73 117.51 122.98 1u1y h ILE 104 Ca 0.09 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1u1y h ILE 104 Cb 0.59 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1u1y h ILE 104 CO 0.04 0.18 0.07 0.58 0.00 0.00 0.00 178.15 179.02 1u1y h VAL 105 N 1.01 1.25 -1.00 1.67 2.07 -1.11 -2.24 116.25 117.90 1u1y h VAL 105 Ca 0.33 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1u1y h VAL 105 Cb 0.02 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1u1y h VAL 105 CO -0.12 0.35 0.66 0.11 0.02 0.00 0.00 177.57 178.59 1u1y h LYS 106 N 0.75 1.24 -0.72 1.57 1.57 -0.54 -0.36 116.57 120.08 1u1y h LYS 106 Ca 0.16 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1u1y h LYS 106 Cb 0.42 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1u1y h LYS 106 CO 0.01 0.82 0.31 0.00 -0.57 0.00 0.00 179.45 180.02 1u1y h ALA 107 N 1.40 0.94 -0.49 3.86 0.00 -0.82 0.11 119.26 124.26 1u1y h ALA 107 Ca 0.40 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1u1y h ALA 107 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1u1y h ALA 107 CO -0.12 0.54 0.03 0.52 0.00 0.00 0.00 179.25 180.23 1u1y h MET 108 N 1.03 0.85 -0.57 0.00 2.86 -0.76 -0.84 114.93 117.49 1u1y h MET 108 Ca 0.24 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1u1y h MET 108 Cb 0.18 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1u1y h MET 108 CO -0.02 0.87 0.16 1.96 1.06 0.00 0.00 176.91 180.94 1u1y h GLN 109 N 0.71 0.90 -0.50 1.72 4.20 -0.75 -2.96 115.11 118.43 1u1y h GLN 109 Ca 0.14 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1u1y h GLN 109 Cb 0.47 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1u1y h GLN 109 CO 0.02 0.83 0.14 0.78 -0.67 0.00 0.00 178.83 179.93 1u1y h GLY 110 N 0.81 0.84 0.19 3.46 0.00 -0.59 -2.20 103.07 105.59 1u1y h GLY 110 Ca 0.18 -0.51 0.21 0.00 0.00 0.00 0.00 47.33 47.21 1u1y h GLY 110 CO -0.00 0.48 0.62 -2.00 0.00 0.00 0.00 176.54 175.63 1u1y h LEU 111 N 0.68 0.51 -2.43 3.11 5.85 -0.99 -2.07 115.31 119.98 1u1y h LEU 111 Ca 0.16 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1u1y h LEU 111 Cb 0.29 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1u1y h LEU 111 CO -0.00 0.19 0.00 0.18 -0.34 0.00 0.00 178.44 178.46 1u1y n LEU 112 N -4.59 3.19 -4.72 2.25 4.77 -1.08 -4.34 117.00 112.48 1u1y n LEU 112 Ca 0.21 -1.65 -0.40 0.00 -0.03 0.00 0.00 56.01 54.14 1u1y n LEU 112 Cb 0.69 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1u1y n LEU 112 CO 0.28 0.73 0.95 1.17 -1.33 0.00 0.00 177.39 179.19 1u1y n LYS 113 N 1.14 2.03 -1.66 3.23 4.81 -0.78 -4.77 118.16 122.16 1u1y n LYS 113 Ca 0.16 0.72 -0.46 0.00 -0.87 0.00 0.00 58.31 57.87 1u1y n LYS 113 Cb 0.51 -2.48 -0.04 0.00 0.02 0.00 0.00 35.03 33.05 1u1y n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1u1y n ASP 114 N 0.01 2.76 0.00 3.14 8.00 -1.26 -2.09 116.55 127.11 1u1y n ASP 114 Ca 0.06 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.67 1u1y n ASP 114 Cb 0.41 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1u1y n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u1y n GLY 115 N 2.77 3.41 3.82 0.44 0.00 -1.26 -5.06 105.19 109.31 1u1y n GLY 115 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1u1y n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u1y s ASN 116 N -0.75 5.58 0.13 1.61 0.01 -0.89 -4.87 114.94 115.77 1u1y s ASN 116 Ca 0.00 1.64 -0.33 0.00 -0.71 0.00 0.00 52.86 53.47 1u1y s ASN 116 Cb 0.00 -2.50 -0.11 0.00 0.41 0.00 0.00 41.25 39.05 1u1y s ASN 116 CO 0.00 -1.30 1.54 -0.65 -1.51 0.00 0.00 177.10 175.18 1u1y h PRO 117 N -0.37 -0.36 0.33 -0.60 0.11 -1.89 -2.25 132.00 126.96 1u1y h PRO 117 Ca -0.45 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1u1y h PRO 117 Cb 1.21 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1u1y h PRO 117 CO 0.57 -0.24 -0.42 0.82 -0.21 0.00 0.00 178.00 178.52 1u1y h ILE 118 N -0.38 0.15 -0.40 4.15 1.08 -1.94 -0.95 117.51 119.22 1u1y h ILE 118 Ca 0.08 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 1u1y h ILE 118 Cb 0.58 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1u1y h ILE 118 CO -0.60 0.00 0.22 1.55 -0.69 0.00 0.00 178.15 178.63 1u1y h PRO 119 N -0.80 0.54 -0.54 2.37 0.13 -1.75 -2.23 132.00 129.72 1u1y h PRO 119 Ca -0.02 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 1u1y h PRO 119 Cb 0.74 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 1u1y h PRO 119 CO -0.12 0.40 0.15 0.77 -0.23 0.00 0.00 178.00 178.97 1u1y h SER 120 N 0.55 0.80 -0.05 1.44 0.02 -1.06 -1.04 113.55 114.21 1u1y h SER 120 Ca 0.14 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1u1y h SER 120 Cb 0.01 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 1u1y h SER 120 CO -0.02 0.81 0.02 0.00 -1.14 0.00 0.00 176.83 176.49 1u1y h ALA 121 N 1.02 0.07 -0.37 3.77 0.00 -0.75 -2.87 119.26 120.12 1u1y h ALA 121 Ca 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1u1y h ALA 121 Cb 0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1u1y h ALA 121 CO -0.00 -0.33 0.22 0.82 0.00 0.00 0.00 179.25 179.96 1u1y h ILE 122 N -0.12 1.04 0.00 0.00 2.04 -1.34 0.17 117.51 119.31 1u1y h ILE 122 Ca 0.02 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1u1y h ILE 122 Cb 0.21 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1u1y h ILE 122 CO -0.00 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.23 1u1y n ALA 123 N -2.23 1.29 -1.25 1.87 0.00 -0.40 -2.51 120.51 117.28 1u1y n ALA 123 Ca 0.01 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.56 1u1y n ALA 123 Cb 0.06 -1.17 0.14 0.00 0.00 0.00 0.00 19.45 18.48 1u1y n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u1y n ALA 124 N -1.58 2.51 -1.70 0.00 0.00 -0.65 -4.96 120.51 114.14 1u1y n ALA 124 Ca 0.01 -2.65 -0.17 0.00 0.00 0.00 0.00 53.44 50.63 1u1y n ALA 124 Cb 0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.09 1u1y n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u1y n ASN 125 N -1.26 -4.56 -4.84 0.00 3.02 -1.04 -4.93 115.26 101.64 1u1y n ASN 125 Ca 0.15 0.34 -0.26 0.00 -0.03 0.00 0.00 54.58 54.79 1u1y n ASN 125 Cb 0.66 -4.06 -0.03 0.00 -0.61 0.00 0.00 39.78 35.74 1u1y n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1u1y s SER 126 N -2.34 4.56 0.00 6.41 0.01 -0.04 -5.03 113.70 117.25 1u1y s SER 126 Ca 0.00 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1u1y s SER 126 Cb 0.00 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1u1y s SER 126 CO 0.00 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.37 1u1y n GLY 127 N -1.55 5.26 3.87 3.44 0.00 -1.26 -4.18 105.19 110.78 1u1y n GLY 127 Ca -0.03 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 1u1y n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1y s ILE 128 N 1.86 5.20 0.00 -0.61 -1.09 -1.26 -4.77 121.20 120.54 1u1y s ILE 128 Ca 0.00 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1u1y s ILE 128 Cb 0.00 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1u1y s ILE 128 CO 0.00 0.35 0.00 0.00 -1.23 0.00 0.00 174.94 174.06