#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4y n VAL 2 N 0.00 0.01 -2.90 0.00 3.14 -1.26 -4.31 118.33 113.01 1r4y n VAL 2 Ca 0.00 -0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 1r4y n VAL 2 Cb 0.00 -0.52 -0.05 0.00 -1.06 0.00 0.00 33.84 32.21 1r4y n VAL 2 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1r4y s THR 3 N 3.06 4.61 0.31 1.55 2.01 -1.26 -2.13 115.64 123.78 1r4y s THR 3 Ca 1.05 0.72 -0.27 0.00 0.31 0.00 0.00 61.69 63.49 1r4y s THR 3 Cb -1.49 -4.33 -0.09 0.00 0.01 0.00 0.00 72.50 66.60 1r4y s THR 3 CO 0.81 -0.67 1.01 0.26 -0.69 0.00 0.00 174.62 175.35 1r4y s TRP 4 N 3.41 3.62 -0.01 4.92 0.52 -0.06 -4.55 118.94 126.79 1r4y s TRP 4 Ca 0.33 1.76 -0.00 0.00 0.02 0.00 0.00 56.10 58.21 1r4y s TRP 4 Cb -0.12 -3.08 0.01 0.00 -1.15 0.00 0.00 33.47 29.13 1r4y s TRP 4 CO 0.22 -0.15 0.01 0.99 0.02 0.00 0.00 176.95 178.04 1r4y s THR 5 N -1.42 -0.03 -0.67 2.01 2.01 -1.26 0.33 115.64 116.62 1r4y s THR 5 Ca 0.49 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.62 1r4y s THR 5 Cb -0.25 -0.04 0.33 0.00 0.01 0.00 0.00 72.50 72.56 1r4y s THR 5 CO 0.31 0.04 1.10 0.00 -0.69 0.00 0.00 174.62 175.38 1r4y n GLY 7 N -0.13 -0.94 0.00 0.00 0.00 -1.26 -4.61 105.19 98.26 1r4y n GLY 7 Ca 0.34 0.71 0.00 0.00 0.00 0.00 0.00 46.02 47.06 1r4y n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r4y n GLY 8 N -1.28 -1.70 3.39 -0.02 0.00 -1.26 -4.95 105.19 99.37 1r4y n GLY 8 Ca -0.26 0.57 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 1r4y n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r4y s LEU 9 N 0.00 2.51 0.53 0.99 1.43 -1.26 -5.15 118.68 117.72 1r4y s LEU 9 Ca 0.00 -1.11 -0.03 0.00 -1.03 0.00 0.00 54.13 51.97 1r4y s LEU 9 Cb 0.00 -0.65 0.01 0.00 0.03 0.00 0.00 46.19 45.58 1r4y s LEU 9 CO 0.00 -0.26 0.79 -0.76 0.23 0.00 0.00 176.35 176.35 1r4y s LEU 10 N -3.38 3.41 -0.47 1.79 2.01 -1.26 -3.51 118.68 117.27 1r4y s LEU 10 Ca 0.26 0.46 0.06 0.00 0.01 0.00 0.00 54.13 54.92 1r4y s LEU 10 Cb 0.01 -3.30 0.18 0.00 0.01 0.00 0.00 46.19 43.09 1r4y s LEU 10 CO 0.09 -0.93 0.62 -0.31 1.01 0.00 0.00 176.35 176.84 1r4y s TYR 11 N -2.79 -1.14 0.02 0.29 2.02 0.15 -4.35 117.35 111.56 1r4y s TYR 11 Ca 0.52 -0.67 -0.35 0.00 -0.37 0.00 0.00 57.07 56.19 1r4y s TYR 11 Cb -0.10 0.08 -0.14 0.00 -0.40 0.00 0.00 41.96 41.40 1r4y s TYR 11 CO 0.41 -1.17 1.66 -1.71 -1.57 0.00 0.00 175.55 173.17 1r4y n ASN 12 N 3.34 2.92 0.32 2.29 5.15 -1.26 -0.88 115.26 127.15 1r4y n ASN 12 Ca 0.18 1.05 0.21 0.00 -0.60 0.00 0.00 54.58 55.41 1r4y n ASN 12 Cb 0.54 -1.34 1.12 0.00 -0.53 0.00 0.00 39.78 39.56 1r4y n ASN 12 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1r4y h GLN 13 N 6.93 0.00 0.00 1.20 5.75 -1.62 0.21 115.11 127.58 1r4y h GLN 13 Ca -0.47 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.02 1r4y h GLN 13 Cb 1.28 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.83 1r4y h GLN 13 CO 0.90 0.00 -0.07 -0.97 -2.65 0.00 0.00 178.83 176.03 1r4y h ASN 14 N 0.00 0.00 0.00 -0.69 -0.00 -1.84 -2.82 115.58 110.23 1r4y h ASN 14 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 55.96 1r4y h ASN 14 Cb 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.32 1r4y h ASN 14 CO -0.00 0.07 -2.29 0.29 -0.00 0.00 0.00 177.43 175.51 1r4y n LYS 15 N -3.68 0.93 0.11 6.67 5.02 0.59 -3.86 118.16 123.94 1r4y n LYS 15 Ca -0.02 -0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.19 1r4y n LYS 15 Cb 0.18 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 1r4y n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r4y h ALA 16 N 0.88 -0.89 -0.47 7.82 0.00 -0.90 0.58 119.26 126.28 1r4y h ALA 16 Ca -0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1r4y h ALA 16 Cb 2.14 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 20.38 1r4y h ALA 16 CO 0.02 -0.91 0.27 1.05 0.00 0.00 0.00 179.25 179.68 1r4y h GLU 17 N -0.40 0.64 -0.31 0.00 4.11 -1.79 -2.94 114.58 113.90 1r4y h GLU 17 Ca -0.02 -0.07 0.03 0.00 0.07 0.00 0.00 59.36 59.37 1r4y h GLU 17 Cb 0.35 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1r4y h GLU 17 CO -0.04 0.49 0.12 1.03 0.07 0.00 0.00 179.01 180.68 1r4y h SER 18 N 0.62 0.14 -1.07 3.06 0.87 -1.63 0.27 113.55 115.80 1r4y h SER 18 Ca 0.17 0.03 0.29 0.00 -1.23 0.00 0.00 61.79 61.05 1r4y h SER 18 Cb 0.03 0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 61.89 1r4y h SER 18 CO -0.03 0.11 0.68 -1.13 -0.53 0.00 0.00 176.83 175.93 1r4y h ASN 19 N 0.26 0.46 1.05 6.23 -0.00 0.33 0.46 115.58 124.37 1r4y h ASN 19 Ca 0.14 0.11 -0.20 0.00 -0.00 0.00 0.00 56.30 56.35 1r4y h ASN 19 Cb 0.10 0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.43 1r4y h ASN 19 CO -0.13 0.04 -0.95 0.77 -0.00 0.00 0.00 177.43 177.16 1r4y h SER 20 N 0.37 0.00 -1.00 1.15 4.64 -0.56 -2.95 113.55 115.20 1r4y h SER 20 Ca 0.64 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 62.11 1r4y h SER 20 Cb 1.62 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.62 1r4y h SER 20 CO -0.36 0.95 0.62 0.45 -0.87 0.00 0.00 176.83 177.62 1r4y h HIS 21 N 0.00 1.11 0.00 4.77 3.86 0.31 -2.81 115.15 122.39 1r4y h HIS 21 Ca -0.01 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1r4y h HIS 21 Cb 1.73 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 29.85 1r4y h HIS 21 CO 0.00 0.36 -0.29 0.45 0.86 0.00 0.00 177.93 179.31 1r4y h HIS 22 N 0.90 0.01 -1.27 2.45 3.86 -1.57 -3.47 115.15 116.05 1r4y h HIS 22 Ca 0.53 -0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 59.05 1r4y h HIS 22 Cb 0.67 -0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.23 1r4y h HIS 22 CO -0.00 1.11 -0.20 0.00 0.86 0.00 0.00 177.93 179.70 1r4y n ALA 23 N -2.79 -2.53 -2.33 2.45 0.00 -1.06 -4.84 120.51 109.41 1r4y n ALA 23 Ca -0.15 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 1r4y n ALA 23 Cb 0.53 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 1r4y n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1r4y s PRO 24 N -0.70 4.28 -0.42 0.00 0.04 -1.26 -4.90 135.00 132.04 1r4y s PRO 24 Ca 0.72 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 63.31 1r4y s PRO 24 Cb -0.98 -3.66 -0.07 0.00 0.04 0.00 0.00 34.50 29.83 1r4y s PRO 24 CO 0.56 -0.60 2.36 -0.11 0.04 0.00 0.00 177.00 179.26 1r4y n LEU 25 N 5.82 2.57 -3.90 -3.56 7.94 -1.26 -4.62 117.00 119.99 1r4y n LEU 25 Ca 0.13 -0.29 0.05 0.00 -1.11 0.00 0.00 56.01 54.79 1r4y n LEU 25 Cb 0.45 -1.57 0.01 0.00 0.53 0.00 0.00 43.42 42.84 1r4y n LEU 25 CO 0.57 -1.31 1.21 -0.44 -1.11 0.00 0.00 177.39 176.32 1r4y s SER 26 N 11.04 -0.00 -0.80 1.96 0.01 -1.26 -4.97 113.70 119.67 1r4y s SER 26 Ca 1.00 -0.01 -0.02 0.00 1.31 0.00 0.00 55.95 58.22 1r4y s SER 26 Cb -0.24 0.01 0.20 0.00 0.21 0.00 0.00 66.02 66.20 1r4y s SER 26 CO 0.29 -0.01 0.67 -0.62 0.41 0.00 0.00 173.24 173.98 1r4y s ASP 27 N -3.69 5.76 -0.20 2.44 2.15 -1.26 -4.33 116.67 117.55 1r4y s ASP 27 Ca 0.27 -3.42 -0.07 0.00 0.43 0.00 0.00 52.55 49.77 1r4y s ASP 27 Cb 0.02 -1.90 0.01 0.00 -0.30 0.00 0.00 42.92 40.75 1r4y s ASP 27 CO -0.04 -0.25 0.25 0.61 -0.17 0.00 0.00 175.17 175.57 1r4y n GLY 28 N 2.74 -1.30 2.76 2.66 0.00 0.22 -4.62 105.19 107.65 1r4y n GLY 28 Ca 0.17 0.50 -0.01 0.00 0.00 0.00 0.00 46.02 46.68 1r4y n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 29 N -0.32 1.55 -4.24 1.61 5.02 -1.21 -5.02 118.16 115.55 1r4y n LYS 29 Ca 0.05 -2.43 -0.20 0.00 -2.02 0.00 0.00 58.31 53.72 1r4y n LYS 29 Cb 0.20 -0.65 -0.12 0.00 -0.02 0.00 0.00 35.03 34.44 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1r4y s THR 30 N -1.93 1.42 0.26 -0.18 -4.23 -1.25 -5.04 115.64 104.69 1r4y s THR 30 Ca 0.19 -1.58 -0.08 0.00 -1.18 0.00 0.00 61.69 59.04 1r4y s THR 30 Cb 0.38 -1.44 0.38 0.00 1.34 0.00 0.00 72.50 73.16 1r4y s THR 30 CO -0.08 -0.26 1.59 1.23 -0.54 0.00 0.00 174.62 176.55 1r4y h GLY 31 N 3.85 0.75 0.00 3.99 0.00 -1.52 -2.93 103.07 107.21 1r4y h GLY 31 Ca -0.42 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1r4y h GLY 31 CO 0.45 -0.36 0.00 -1.26 0.00 0.00 0.00 176.54 175.37 1r4y n SER 32 N -5.53 0.00 0.02 0.19 2.88 -0.87 -3.91 113.62 106.40 1r4y n SER 32 Ca 0.15 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1r4y n SER 32 Cb 0.49 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1r4y n SER 32 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1r4y n SER 33 N -0.75 -0.28 -4.74 -3.46 3.41 -1.11 -4.98 113.62 101.71 1r4y n SER 33 Ca 0.00 0.24 -0.36 0.00 -0.26 0.00 0.00 58.87 58.49 1r4y n SER 33 Cb 0.00 0.48 0.06 0.00 -0.26 0.00 0.00 64.21 64.49 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1r4y s TYR 34 N -1.42 2.23 0.69 7.33 2.02 -1.26 -3.33 117.35 123.60 1r4y s TYR 34 Ca 0.00 1.52 -0.11 0.00 -0.37 0.00 0.00 57.07 58.11 1r4y s TYR 34 Cb 0.00 -3.54 0.00 0.00 -0.40 0.00 0.00 41.96 38.02 1r4y s TYR 34 CO 0.00 -2.50 1.06 -1.25 -1.57 0.00 0.00 175.55 171.29 1r4y s PRO 35 N -3.47 3.01 0.19 -1.71 0.04 -1.26 -4.63 135.00 127.17 1r4y s PRO 35 Ca 0.78 0.89 0.01 0.00 0.04 0.00 0.00 61.00 62.73 1r4y s PRO 35 Cb -0.32 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1r4y s PRO 35 CO 0.38 -1.03 0.04 -3.38 0.04 0.00 0.00 177.00 173.05 1r4y s HIS 36 N -3.08 1.23 0.67 0.56 -3.43 -1.13 0.70 115.29 110.81 1r4y s HIS 36 Ca 0.58 -1.11 -0.17 0.00 -0.80 0.00 0.00 55.06 53.56 1r4y s HIS 36 Cb -0.13 -0.70 0.01 0.00 -1.43 0.00 0.00 32.58 30.32 1r4y s HIS 36 CO 0.55 -0.31 1.23 -0.46 -2.00 0.00 0.00 174.74 173.75 1r4y s TRP 37 N -3.76 2.15 -0.57 0.38 -0.00 -1.26 -2.07 118.94 113.80 1r4y s TRP 37 Ca 0.28 1.55 0.05 0.00 -0.00 0.00 0.00 56.10 57.98 1r4y s TRP 37 Cb 0.07 -3.53 0.18 0.00 -0.00 0.00 0.00 33.47 30.19 1r4y s TRP 37 CO 0.06 -2.59 0.47 0.34 -0.00 0.00 0.00 176.95 175.24 1r4y n PHE 38 N -2.23 1.50 -0.47 5.86 7.35 0.11 -4.70 117.46 124.88 1r4y n PHE 38 Ca 0.14 -3.88 0.40 0.00 -0.76 0.00 0.00 57.45 53.35 1r4y n PHE 38 Cb 0.50 -0.27 0.67 0.00 0.35 0.00 0.00 39.48 40.72 1r4y n PHE 38 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1r4y n THR 39 N 2.12 -0.23 -1.49 -2.13 -2.24 -1.26 -4.50 114.28 104.54 1r4y n THR 39 Ca 0.25 1.73 -0.17 0.00 -2.27 0.00 0.00 64.05 63.59 1r4y n THR 39 Cb 0.42 -2.84 -0.07 0.00 -2.10 0.00 0.00 70.33 65.73 1r4y n THR 39 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1r4y n ASN 40 N -4.61 -4.73 0.00 3.42 5.15 -1.26 -0.13 115.26 113.11 1r4y n ASN 40 Ca 0.39 0.43 0.00 0.00 -0.60 0.00 0.00 54.58 54.80 1r4y n ASN 40 Cb 1.55 -4.19 0.00 0.00 -0.53 0.00 0.00 39.78 36.62 1r4y n ASN 40 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1r4y n GLY 41 N -0.29 3.10 3.32 8.20 0.00 -1.26 -4.08 105.19 114.18 1r4y n GLY 41 Ca -0.17 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 1r4y n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r4y n TYR 42 N 0.00 -2.21 0.09 1.61 4.01 0.82 -4.35 117.16 117.13 1r4y n TYR 42 Ca 0.00 0.31 -0.18 0.00 -0.16 0.00 0.00 57.90 57.87 1r4y n TYR 42 Cb 0.00 -1.76 -0.14 0.00 -0.31 0.00 0.00 39.34 37.12 1r4y n TYR 42 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1r4y h ASP 43 N -0.38 0.49 0.00 7.72 3.32 -1.73 -3.45 116.42 122.40 1r4y h ASP 43 Ca -0.44 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.02 1r4y h ASP 43 Cb 1.37 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1r4y h ASP 43 CO 0.39 1.48 0.00 0.61 -1.72 0.00 0.00 179.24 180.00 1r4y n GLY 44 N 1.63 -1.73 0.90 2.75 0.00 -1.26 -5.06 105.19 102.43 1r4y n GLY 44 Ca -0.14 0.60 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 1r4y n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r4y n ASP 45 N -2.62 0.22 -3.11 1.61 9.92 -1.26 -1.55 116.55 119.76 1r4y n ASP 45 Ca 0.00 0.03 -0.10 0.00 -0.53 0.00 0.00 54.79 54.19 1r4y n ASP 45 Cb 0.00 -0.11 0.10 0.00 -0.64 0.00 0.00 41.12 40.47 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r4y n GLY 46 N 3.29 -3.28 1.26 0.44 0.00 -1.26 -3.44 105.19 102.19 1r4y n GLY 46 Ca -0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 1r4y n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 47 N -2.84 -2.16 -1.93 1.61 4.76 -1.26 -4.30 118.16 112.04 1r4y n LYS 47 Ca 0.05 -0.48 -0.30 0.00 -2.87 0.00 0.00 58.31 54.71 1r4y n LYS 47 Cb 0.20 -0.70 0.04 0.00 -1.84 0.00 0.00 35.03 32.72 1r4y n LYS 47 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1r4y s LEU 48 N 0.00 3.00 0.76 -0.35 1.02 -1.26 -3.07 118.68 118.77 1r4y s LEU 48 Ca 0.22 1.15 -0.11 0.00 0.02 0.00 0.00 54.13 55.42 1r4y s LEU 48 Cb -0.04 -4.00 0.05 0.00 0.02 0.00 0.00 46.19 42.21 1r4y s LEU 48 CO 0.18 -1.21 1.08 -2.16 0.02 0.00 0.00 176.35 174.26 1r4y s PRO 49 N -5.29 2.41 -0.74 1.29 0.04 -1.26 -4.85 135.00 126.60 1r4y s PRO 49 Ca 0.57 1.10 -0.27 0.00 0.04 0.00 0.00 61.00 62.44 1r4y s PRO 49 Cb -0.11 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.36 1r4y s PRO 49 CO 0.52 -1.52 2.52 1.17 0.04 0.00 0.00 177.00 179.73 1r4y n LYS 50 N -3.43 0.54 0.00 4.56 4.81 -1.26 -3.64 118.16 119.75 1r4y n LYS 50 Ca 0.09 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1r4y n LYS 50 Cb 0.53 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.02 1r4y n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r4y n GLY 51 N 6.23 0.46 3.63 3.14 0.00 -1.26 -5.17 105.19 112.22 1r4y n GLY 51 Ca 0.51 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1r4y n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r4y s ARG 52 N -0.33 1.08 -0.32 1.61 1.81 -1.24 -5.14 118.95 116.42 1r4y s ARG 52 Ca 0.00 -0.52 -0.02 0.00 -1.72 0.00 0.00 55.73 53.47 1r4y s ARG 52 Cb 0.00 0.42 0.12 0.00 -0.45 0.00 0.00 34.95 35.04 1r4y s ARG 52 CO 0.00 -0.49 0.16 0.99 -0.68 0.00 0.00 175.30 175.28 1r4y s THR 53 N -3.29 0.19 0.42 0.02 2.01 -1.26 -5.07 115.64 108.67 1r4y s THR 53 Ca 0.08 -1.25 -0.24 0.00 0.31 0.00 0.00 61.69 60.59 1r4y s THR 53 Cb -0.01 -1.16 -0.08 0.00 0.01 0.00 0.00 72.50 71.25 1r4y s THR 53 CO -0.03 -0.82 1.11 -2.16 -0.69 0.00 0.00 174.62 172.03 1r4y s PRO 54 N 1.60 4.02 -0.15 4.92 0.04 -1.26 -4.79 135.00 139.38 1r4y s PRO 54 Ca 0.13 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1r4y s PRO 54 Cb -0.19 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 1r4y s PRO 54 CO -0.21 -0.30 1.33 0.42 0.04 0.00 0.00 177.00 178.28 1r4y s ILE 55 N -1.56 4.16 0.11 0.56 1.01 -1.26 -4.99 121.20 119.23 1r4y s ILE 55 Ca 0.59 1.40 -0.28 0.00 0.00 0.00 0.00 60.65 62.36 1r4y s ILE 55 Cb -0.26 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 1r4y s ILE 55 CO 0.32 -0.14 0.90 -0.75 0.00 0.00 0.00 174.94 175.27 1r4y s LYS 56 N 3.63 4.65 -0.07 2.79 2.47 -1.26 -4.95 119.74 127.00 1r4y s LYS 56 Ca 0.58 1.33 -0.05 0.00 -1.56 0.00 0.00 55.97 56.28 1r4y s LYS 56 Cb -0.23 -3.36 -0.03 0.00 -1.46 0.00 0.00 37.83 32.74 1r4y s LYS 56 CO 0.17 0.28 -0.12 1.19 0.16 0.00 0.00 175.35 177.04 1r4y n PHE 57 N 2.61 0.00 0.00 4.03 3.72 -1.26 -4.80 117.46 121.76 1r4y n PHE 57 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1r4y n PHE 57 Cb 0.49 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1r4y n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r4y n GLY 58 N 2.52 1.06 3.69 1.37 0.00 -1.26 -5.09 105.19 107.48 1r4y n GLY 58 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1r4y n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4y s LYS 59 N 0.00 4.06 0.14 1.61 1.02 -1.26 -4.97 119.74 120.33 1r4y s LYS 59 Ca 0.00 -0.28 0.13 0.00 0.02 0.00 0.00 55.97 55.84 1r4y s LYS 59 Cb 0.00 -3.31 0.63 0.00 -0.52 0.00 0.00 37.83 34.63 1r4y s LYS 59 CO 0.00 0.31 1.40 0.45 -0.92 0.00 0.00 175.35 176.59 1r4y n SER 60 N 3.47 0.28 -0.06 2.83 2.88 -1.26 -0.81 113.62 120.94 1r4y n SER 60 Ca -0.16 0.61 -0.20 0.00 -1.33 0.00 0.00 58.87 57.78 1r4y n SER 60 Cb 0.52 -0.65 -0.13 0.00 -0.75 0.00 0.00 64.21 63.21 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1r4y h ASP 61 N 0.00 0.12 0.78 -3.46 3.32 -1.94 -1.90 116.42 113.34 1r4y h ASP 61 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1r4y h ASP 61 Cb 0.11 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1r4y h ASP 61 CO 0.00 1.45 0.00 0.00 -1.72 0.00 0.00 179.24 178.97 1r4y n ASP 63 N -1.59 2.08 -4.30 0.00 2.03 0.01 -4.90 116.55 109.87 1r4y n ASP 63 Ca 0.05 0.11 -0.34 0.00 0.52 0.00 0.00 54.79 55.12 1r4y n ASP 63 Cb 0.26 -0.73 0.09 0.00 -0.72 0.00 0.00 41.12 40.02 1r4y n ASP 63 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1r4y n ARG 64 N -3.43 -0.12 -2.27 -0.67 1.85 -0.71 -4.91 116.66 106.41 1r4y n ARG 64 Ca -0.36 -0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.07 1r4y n ARG 64 Cb 1.03 -1.59 -0.03 0.00 -1.05 0.00 0.00 32.46 30.81 1r4y n ARG 64 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1r4y s PRO 65 N -2.98 4.40 1.00 2.89 0.04 -1.26 -4.99 135.00 134.10 1r4y s PRO 65 Ca 0.53 1.98 -0.13 0.00 0.04 0.00 0.00 61.00 63.43 1r4y s PRO 65 Cb -0.23 -3.24 0.19 0.00 0.04 0.00 0.00 34.50 31.26 1r4y s PRO 65 CO 0.70 -0.26 1.11 -1.25 0.04 0.00 0.00 177.00 177.34 1r4y s PRO 66 N 0.29 0.42 -0.45 0.56 0.04 -1.22 -4.95 135.00 129.69 1r4y s PRO 66 Ca 0.58 0.36 0.08 0.00 0.04 0.00 0.00 61.00 62.06 1r4y s PRO 66 Cb -0.35 -1.75 0.40 0.00 0.04 0.00 0.00 34.50 32.85 1r4y s PRO 66 CO 0.35 -2.70 1.02 1.17 0.04 0.00 0.00 177.00 176.88 1r4y n LYS 67 N -4.13 2.87 -1.80 4.56 3.00 -1.26 -4.33 118.16 117.06 1r4y n LYS 67 Ca 0.06 -4.32 -0.31 0.00 -0.00 0.00 0.00 58.31 53.74 1r4y n LYS 67 Cb 0.58 -2.05 0.03 0.00 0.00 0.00 0.00 35.03 33.58 1r4y n LYS 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1r4y s HIS 68 N -3.39 3.45 0.00 5.64 5.65 -0.59 -4.30 115.29 121.75 1r4y s HIS 68 Ca 0.44 1.26 0.00 0.00 0.25 0.00 0.00 55.06 57.02 1r4y s HIS 68 Cb 0.38 -2.83 0.00 0.00 -1.18 0.00 0.00 32.58 28.95 1r4y s HIS 68 CO -0.14 -0.92 0.00 0.45 -0.65 0.00 0.00 174.74 173.48 1r4y n SER 69 N -2.89 0.00 -2.58 9.88 2.88 -1.26 -4.08 113.62 115.57 1r4y n SER 69 Ca 0.06 -0.39 -0.11 0.00 -1.33 0.00 0.00 58.87 57.10 1r4y n SER 69 Cb 0.55 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.94 1r4y n SER 69 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1r4y n LYS 70 N 0.00 1.35 -2.66 -1.46 4.01 -1.26 -4.08 118.16 114.06 1r4y n LYS 70 Ca 0.00 -0.83 -0.04 0.00 -0.51 0.00 0.00 58.31 56.93 1r4y n LYS 70 Cb 0.00 -2.00 0.06 0.00 -0.51 0.00 0.00 35.03 32.58 1r4y n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1r4y n ASP 71 N 3.30 -1.27 0.00 4.39 8.00 -1.26 -5.02 116.55 124.69 1r4y n ASP 71 Ca 0.29 -1.31 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1r4y n ASP 71 Cb 0.34 0.66 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r4y n GLY 72 N 1.98 0.00 2.79 0.44 0.00 -1.26 -0.59 105.19 108.55 1r4y n GLY 72 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1r4y n GLY 72 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1r4y n ASN 73 N -1.14 2.80 0.00 1.61 5.15 -1.26 -4.60 115.26 117.81 1r4y n ASN 73 Ca 0.00 -3.17 0.00 0.00 -0.60 0.00 0.00 54.58 50.81 1r4y n ASN 73 Cb 0.00 -0.73 0.00 0.00 -0.53 0.00 0.00 39.78 38.52 1r4y n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1r4y n GLY 74 N 1.87 -0.26 0.00 8.20 0.00 0.24 -4.92 105.19 110.31 1r4y n GLY 74 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1r4y n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 75 N 0.00 0.00 -0.26 1.61 5.02 -1.26 -4.80 118.16 118.46 1r4y n LYS 75 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1r4y n LYS 75 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.19 1r4y n LYS 75 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1r4y n THR 76 N 0.00 1.59 -0.88 -0.18 5.66 -1.26 -5.03 114.28 114.18 1r4y n THR 76 Ca 0.00 -1.45 -0.24 0.00 -3.05 0.00 0.00 64.05 59.31 1r4y n THR 76 Cb 0.00 0.14 -0.09 0.00 -1.55 0.00 0.00 70.33 68.83 1r4y n THR 76 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1r4y n ASP 77 N -0.12 0.18 -2.11 1.09 8.00 -1.26 -4.72 116.55 117.60 1r4y n ASP 77 Ca 0.15 0.11 -0.19 0.00 0.71 0.00 0.00 54.79 55.57 1r4y n ASP 77 Cb 0.62 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1r4y n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r4y n HIS 78 N 6.12 1.19 -2.29 1.24 1.44 -1.26 -4.69 115.22 116.96 1r4y n HIS 78 Ca 0.39 -1.80 -0.41 0.00 -2.01 0.00 0.00 57.72 53.88 1r4y n HIS 78 Cb 0.02 -1.18 -0.03 0.00 0.12 0.00 0.00 29.99 28.91 1r4y n HIS 78 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1r4y s TYR 79 N -1.19 3.34 0.26 -1.40 -0.85 -1.26 -4.03 117.35 112.21 1r4y s TYR 79 Ca 0.45 1.36 -0.29 0.00 -0.52 0.00 0.00 57.07 58.06 1r4y s TYR 79 Cb 0.29 -3.51 -0.09 0.00 0.38 0.00 0.00 41.96 39.02 1r4y s TYR 79 CO -0.09 -1.49 1.20 -0.51 -1.52 0.00 0.00 175.55 173.14 1r4y s LEU 80 N -0.40 4.48 0.01 -3.49 1.02 -1.26 -2.91 118.68 116.12 1r4y s LEU 80 Ca 0.53 2.38 0.04 0.00 0.02 0.00 0.00 54.13 57.11 1r4y s LEU 80 Cb -0.35 -3.63 -0.01 0.00 0.02 0.00 0.00 46.19 42.22 1r4y s LEU 80 CO 0.39 -0.34 -0.13 -1.48 0.02 0.00 0.00 176.35 174.81 1r4y s LEU 81 N -1.10 2.07 0.38 1.79 0.05 0.37 0.08 118.68 122.32 1r4y s LEU 81 Ca 0.49 -0.30 0.07 0.00 0.05 0.00 0.00 54.13 54.45 1r4y s LEU 81 Cb -0.35 -0.61 -0.01 0.00 -2.05 0.00 0.00 46.19 43.17 1r4y s LEU 81 CO 0.43 0.11 0.41 -1.83 -0.55 0.00 0.00 176.35 174.91 1r4y s GLU 82 N -0.57 2.75 -0.19 1.48 1.03 -0.88 -1.41 118.70 120.91 1r4y s GLU 82 Ca 0.03 -1.31 -0.17 0.00 0.03 0.00 0.00 54.97 53.55 1r4y s GLU 82 Cb -0.06 -2.56 0.05 0.00 -0.80 0.00 0.00 34.13 30.76 1r4y s GLU 82 CO 0.00 -0.08 0.51 0.12 -1.33 0.00 0.00 175.26 174.49 1r4y s PHE 83 N -2.35 -0.58 -0.82 4.83 5.36 -1.02 -2.86 117.98 120.55 1r4y s PHE 83 Ca 0.47 1.39 -0.25 0.00 -0.96 0.00 0.00 56.93 57.58 1r4y s PHE 83 Cb -0.06 0.21 -0.00 0.00 -0.34 0.00 0.00 43.02 42.82 1r4y s PHE 83 CO 0.29 -0.28 1.66 -1.25 -1.46 0.00 0.00 175.22 174.18 1r4y s PRO 84 N 0.35 2.96 -0.48 10.12 0.04 -1.26 -0.99 135.00 145.75 1r4y s PRO 84 Ca -0.01 -0.24 -0.16 0.00 0.04 0.00 0.00 61.00 60.63 1r4y s PRO 84 Cb -0.04 -4.76 0.07 0.00 0.04 0.00 0.00 34.50 29.82 1r4y s PRO 84 CO -0.00 -2.66 0.44 -0.08 0.04 0.00 0.00 177.00 174.74 1r4y s THR 85 N 7.64 5.16 0.57 1.26 -1.32 -1.25 -4.89 115.64 122.81 1r4y s THR 85 Ca 0.56 -0.95 -0.10 0.00 -1.21 0.00 0.00 61.69 59.99 1r4y s THR 85 Cb -0.07 -4.16 -0.04 0.00 -1.51 0.00 0.00 72.50 66.72 1r4y s THR 85 CO 0.06 -0.62 0.95 -0.36 -2.21 0.00 0.00 174.62 172.44 1r4y s PHE 86 N 1.84 3.60 0.11 9.09 0.40 -1.26 -4.84 117.98 126.92 1r4y s PHE 86 Ca 0.06 1.15 -0.06 0.00 -0.60 0.00 0.00 56.93 57.48 1r4y s PHE 86 Cb -0.23 -2.59 -0.14 0.00 0.51 0.00 0.00 43.02 40.56 1r4y s PHE 86 CO 0.08 -0.53 1.26 -1.00 0.70 0.00 0.00 175.22 175.72 1r4y h PRO 87 N -0.05 0.43 -1.37 0.24 0.13 -1.97 -3.17 132.00 126.25 1r4y h PRO 87 Ca -0.45 -0.50 0.40 0.00 -0.87 0.00 0.00 66.00 64.58 1r4y h PRO 87 Cb 1.19 0.15 -0.07 0.00 0.13 0.00 0.00 31.00 32.41 1r4y h PRO 87 CO 0.62 1.16 0.97 -0.44 -0.23 0.00 0.00 178.00 180.07 1r4y h ASP 88 N 0.23 0.06 0.00 1.44 3.32 -1.94 -3.45 116.42 116.08 1r4y h ASP 88 Ca -0.10 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1r4y h ASP 88 Cb 1.66 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.22 1r4y h ASP 88 CO 0.18 -0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 1r4y n GLY 89 N -1.76 0.47 3.77 2.75 0.00 -1.20 -5.03 105.19 104.20 1r4y n GLY 89 Ca 0.31 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 1r4y n GLY 89 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1r4y s HIS 90 N -2.00 3.88 -1.06 1.61 -3.43 -1.26 -4.97 115.29 108.06 1r4y s HIS 90 Ca 0.00 1.70 -0.23 0.00 -0.80 0.00 0.00 55.06 55.74 1r4y s HIS 90 Cb 0.00 -2.83 -0.03 0.00 -1.43 0.00 0.00 32.58 28.29 1r4y s HIS 90 CO 0.00 0.45 1.85 0.34 -2.00 0.00 0.00 174.74 175.38 1r4y s ASP 91 N -1.27 5.48 0.60 7.38 2.15 -1.26 -4.77 116.67 124.98 1r4y s ASP 91 Ca 0.40 -1.31 -0.18 0.00 0.43 0.00 0.00 52.55 51.89 1r4y s ASP 91 Cb -0.23 -2.57 -0.14 0.00 -0.30 0.00 0.00 42.92 39.68 1r4y s ASP 91 CO 0.27 -2.51 -0.19 0.00 -0.17 0.00 0.00 175.17 172.57 1r4y n TYR 92 N 12.79 -3.13 -1.57 -5.34 9.36 -1.26 -4.78 117.16 123.24 1r4y n TYR 92 Ca 0.42 0.37 -0.41 0.00 3.32 0.00 0.00 57.90 61.60 1r4y n TYR 92 Cb 0.47 -1.66 -0.01 0.00 -0.63 0.00 0.00 39.34 37.50 1r4y n TYR 92 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1r4y n LYS 93 N 1.52 3.34 0.04 2.98 2.85 -1.26 -4.48 118.16 123.16 1r4y n LYS 93 Ca 0.06 -2.48 0.13 0.00 -1.05 0.00 0.00 58.31 54.98 1r4y n LYS 93 Cb 0.49 -3.02 0.45 0.00 -0.65 0.00 0.00 35.03 32.29 1r4y n LYS 93 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1r4y n PHE 94 N 4.69 0.40 -0.08 5.58 1.16 -1.26 -3.71 117.46 124.23 1r4y n PHE 94 Ca 0.65 0.12 -0.11 0.00 -1.87 0.00 0.00 57.45 56.24 1r4y n PHE 94 Cb 0.31 -0.65 -0.15 0.00 -1.61 0.00 0.00 39.48 37.38 1r4y n PHE 94 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1r4y n ASP 95 N -1.84 0.35 -4.59 5.98 2.03 -1.26 -2.05 116.55 115.17 1r4y n ASP 95 Ca 0.06 0.08 -0.43 0.00 0.52 0.00 0.00 54.79 55.02 1r4y n ASP 95 Cb 0.38 0.65 -0.02 0.00 -0.72 0.00 0.00 41.12 41.42 1r4y n ASP 95 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1r4y s SER 96 N -5.71 6.57 0.13 1.67 0.01 -1.24 -2.41 113.70 112.71 1r4y s SER 96 Ca -0.11 0.34 -0.19 0.00 1.31 0.00 0.00 55.95 57.30 1r4y s SER 96 Cb 0.07 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 1r4y s SER 96 CO 0.81 -1.31 1.75 0.07 0.41 0.00 0.00 173.24 174.97 1r4y h LYS 97 N 9.32 0.18 -3.62 12.44 2.10 -1.87 -3.33 116.57 131.79 1r4y h LYS 97 Ca -0.24 -0.01 -0.37 0.00 -2.00 0.00 0.00 60.65 58.03 1r4y h LYS 97 Cb 1.06 -0.04 -0.36 0.00 -0.90 0.00 0.00 32.23 31.99 1r4y h LYS 97 CO 1.14 0.12 -0.75 -1.59 -2.00 0.00 0.00 179.45 176.37 1r4y s LYS 98 N -6.18 0.28 1.09 0.07 0.00 -1.26 -3.68 119.74 110.06 1r4y s LYS 98 Ca -0.13 0.16 -0.16 0.00 0.00 0.00 0.00 55.97 55.83 1r4y s LYS 98 Cb 0.10 -0.60 0.24 0.00 0.00 0.00 0.00 37.83 37.56 1r4y s LYS 98 CO 0.69 -0.22 1.14 -1.25 0.00 0.00 0.00 175.35 175.71 1r4y s PRO 99 N 1.51 -0.33 -0.03 1.78 0.04 -1.26 -5.17 135.00 131.53 1r4y s PRO 99 Ca -0.03 0.06 0.01 0.00 0.04 0.00 0.00 61.00 61.08 1r4y s PRO 99 Cb -0.13 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.75 1r4y s PRO 99 CO -0.03 -3.15 -0.01 0.21 0.04 0.00 0.00 177.00 174.06 1r4y s LYS 100 N -5.35 0.44 0.82 4.56 2.20 -1.24 -4.78 119.74 116.40 1r4y s LYS 100 Ca 0.69 0.02 -0.14 0.00 -0.36 0.00 0.00 55.97 56.18 1r4y s LYS 100 Cb -0.12 -0.57 0.19 0.00 -1.51 0.00 0.00 37.83 35.83 1r4y s LYS 100 CO 0.56 -0.11 1.07 -1.91 -0.36 0.00 0.00 175.35 174.59 1r4y n GLU 101 N 4.07 -1.25 -2.41 4.03 4.07 -1.26 -5.06 120.64 122.82 1r4y n GLU 101 Ca -0.26 -1.65 -0.33 0.00 -0.06 0.00 0.00 57.16 54.86 1r4y n GLU 101 Cb 0.51 -1.14 -0.03 0.00 -0.06 0.00 0.00 31.44 30.71 1r4y n GLU 101 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1r4y s ASN 102 N -4.85 6.35 0.51 4.31 0.01 -1.26 -5.08 114.94 114.92 1r4y s ASN 102 Ca 0.61 1.78 0.00 0.00 -0.71 0.00 0.00 52.86 54.54 1r4y s ASN 102 Cb -0.02 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1r4y s ASN 102 CO 0.43 -0.78 0.00 -0.81 -1.51 0.00 0.00 177.10 174.44 1r4y n PRO 103 N -1.36 -0.02 -4.23 -0.60 -0.04 -1.26 -5.10 135.00 122.39 1r4y n PRO 103 Ca 0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 1r4y n PRO 103 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 1r4y n PRO 103 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1r4y s GLY 104 N -1.76 1.02 0.03 0.55 0.00 -1.26 -5.06 107.32 100.84 1r4y s GLY 104 Ca 0.00 -1.40 -0.18 0.00 0.00 0.00 0.00 44.72 43.14 1r4y s GLY 104 CO 0.00 -1.49 1.12 -0.56 0.00 0.00 0.00 173.10 172.18 1r4y h PRO 105 N 3.06 0.51 -6.20 2.90 0.13 -1.97 -3.45 132.00 126.98 1r4y h PRO 105 Ca -0.37 -0.56 -0.58 0.00 -0.87 0.00 0.00 66.00 63.63 1r4y h PRO 105 Cb 1.19 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 1r4y h PRO 105 CO 0.59 1.19 -0.19 0.00 -0.23 0.00 0.00 178.00 179.36 1r4y s ALA 106 N -3.22 3.67 -0.00 -0.56 0.00 -1.26 -4.46 121.76 115.93 1r4y s ALA 106 Ca -0.12 -0.30 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 1r4y s ALA 106 Cb 0.05 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.81 1r4y s ALA 106 CO 0.86 0.53 0.16 1.03 0.00 0.00 0.00 175.76 178.34 1r4y s ARG 107 N -2.01 0.50 -0.46 0.00 0.52 -1.23 -3.88 118.95 112.39 1r4y s ARG 107 Ca 0.36 -0.34 -0.26 0.00 -0.52 0.00 0.00 55.73 54.96 1r4y s ARG 107 Cb -0.14 0.21 0.03 0.00 0.52 0.00 0.00 34.95 35.57 1r4y s ARG 107 CO 0.19 -0.12 0.98 0.54 0.02 0.00 0.00 175.30 176.91 1r4y s VAL 108 N -1.31 4.41 -0.21 3.52 0.11 -0.16 -3.04 120.40 123.72 1r4y s VAL 108 Ca -0.14 0.91 -0.14 0.00 -2.93 0.00 0.00 61.98 59.68 1r4y s VAL 108 Cb -0.07 -4.47 -0.04 0.00 -1.53 0.00 0.00 36.38 30.27 1r4y s VAL 108 CO 0.02 -0.86 0.33 -0.63 -3.33 0.00 0.00 175.10 170.64 1r4y s ILE 109 N 3.92 5.24 0.04 7.04 1.09 -0.01 -2.43 121.20 136.08 1r4y s ILE 109 Ca 0.40 0.56 -0.09 0.00 -1.10 0.00 0.00 60.65 60.42 1r4y s ILE 109 Cb -0.09 -3.67 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1r4y s ILE 109 CO 0.27 0.27 0.18 -0.72 -0.10 0.00 0.00 174.94 174.84 1r4y s TYR 110 N 1.26 0.08 0.48 3.97 -0.85 -0.50 0.07 117.35 121.87 1r4y s TYR 110 Ca 0.16 -0.32 -0.01 0.00 -0.52 0.00 0.00 57.07 56.38 1r4y s TYR 110 Cb -0.14 -0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.15 1r4y s TYR 110 CO 0.07 -0.42 0.72 0.95 -1.52 0.00 0.00 175.55 175.35 1r4y s THR 111 N -2.61 3.86 0.19 -3.49 -4.23 -1.25 -0.48 115.64 107.63 1r4y s THR 111 Ca -0.05 -0.40 0.08 0.00 -1.18 0.00 0.00 61.69 60.14 1r4y s THR 111 Cb -0.01 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.34 1r4y s THR 111 CO -0.04 -0.35 0.01 -0.47 -0.54 0.00 0.00 174.62 173.23 1r4y s TYR 112 N -2.66 2.84 -0.06 3.99 6.14 -1.15 -3.40 117.35 123.05 1r4y s TYR 112 Ca 0.50 -0.15 -0.27 0.00 0.64 0.00 0.00 57.07 57.79 1r4y s TYR 112 Cb -0.10 -1.35 -0.22 0.00 0.42 0.00 0.00 41.96 40.71 1r4y s TYR 112 CO 0.39 0.53 1.09 -1.00 0.64 0.00 0.00 175.55 177.21 1r4y h PRO 113 N 2.51 -0.01 -6.00 4.97 0.13 -1.85 -3.38 132.00 128.37 1r4y h PRO 113 Ca -0.47 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.95 1r4y h PRO 113 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1r4y h PRO 113 CO 0.59 0.64 1.35 0.09 -0.23 0.00 0.00 178.00 180.44 1r4y n ASN 114 N -4.78 1.57 -3.51 1.44 3.02 -1.26 -4.74 115.26 107.00 1r4y n ASN 114 Ca -0.09 0.55 -0.39 0.00 -0.03 0.00 0.00 54.58 54.62 1r4y n ASN 114 Cb 0.32 -1.11 -0.06 0.00 -0.61 0.00 0.00 39.78 38.32 1r4y n ASN 114 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1r4y n LYS 115 N 7.76 1.15 -1.47 3.52 5.02 -1.22 -4.30 118.16 128.62 1r4y n LYS 115 Ca 0.46 -1.54 -0.42 0.00 -2.02 0.00 0.00 58.31 54.79 1r4y n LYS 115 Cb 0.11 -2.72 -0.04 0.00 -0.02 0.00 0.00 35.03 32.36 1r4y n LYS 115 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r4y n VAL 116 N 5.97 2.40 -1.53 -0.18 0.31 -1.24 -4.83 118.33 119.23 1r4y n VAL 116 Ca 0.46 -2.16 -0.63 0.00 -0.01 0.00 0.00 64.34 61.99 1r4y n VAL 116 Cb 0.36 -2.39 -0.10 0.00 -0.91 0.00 0.00 33.84 30.79 1r4y n VAL 116 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1r4y n PHE 117 N 7.75 1.50 -0.06 3.52 7.35 -1.26 -3.81 117.46 132.45 1r4y n PHE 117 Ca 0.50 0.99 -0.21 0.00 -0.76 0.00 0.00 57.45 57.96 1r4y n PHE 117 Cb 0.41 -2.19 -0.13 0.00 0.35 0.00 0.00 39.48 37.92 1r4y n PHE 117 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1r4y n GLY 119 N 1.63 -0.99 3.48 0.00 0.00 -1.18 -4.91 105.19 103.21 1r4y n GLY 119 Ca -0.30 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 1r4y n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r4y s ILE 120 N -2.59 3.79 0.16 -0.61 1.09 -1.26 -0.83 121.20 120.95 1r4y s ILE 120 Ca 0.00 -0.39 0.04 0.00 -1.10 0.00 0.00 60.65 59.20 1r4y s ILE 120 Cb 0.00 -2.66 -0.04 0.00 -1.06 0.00 0.00 42.46 38.71 1r4y s ILE 120 CO 0.00 0.49 0.22 0.27 -0.10 0.00 0.00 174.94 175.83 1r4y s ILE 121 N 0.39 4.94 -0.21 2.92 -4.36 -1.17 0.80 121.20 124.52 1r4y s ILE 121 Ca -0.05 -0.89 -0.34 0.00 -0.26 0.00 0.00 60.65 59.11 1r4y s ILE 121 Cb -0.14 -3.55 0.15 0.00 1.25 0.00 0.00 42.46 40.16 1r4y s ILE 121 CO 0.03 -0.12 1.22 0.00 0.24 0.00 0.00 174.94 176.31 1r4y s ALA 122 N -1.77 -2.08 -0.80 2.27 0.00 0.18 -3.53 121.76 116.03 1r4y s ALA 122 Ca 0.33 1.66 -0.20 0.00 0.00 0.00 0.00 51.96 53.75 1r4y s ALA 122 Cb -0.10 -0.36 0.11 0.00 0.00 0.00 0.00 23.12 22.77 1r4y s ALA 122 CO 0.26 -0.53 1.02 -1.01 0.00 0.00 0.00 175.76 175.51 1r4y s HIS 123 N -2.12 2.97 -0.53 0.00 0.09 -1.26 -2.38 115.29 112.06 1r4y s HIS 123 Ca 0.09 -1.08 -0.01 0.00 -0.00 0.00 0.00 55.06 54.06 1r4y s HIS 123 Cb -0.01 -4.25 0.42 0.00 -0.00 0.00 0.00 32.58 28.75 1r4y s HIS 123 CO -0.05 -1.51 1.98 -2.37 -0.00 0.00 0.00 174.74 172.79 1r4y n THR 124 N 5.61 3.29 -0.07 1.30 5.66 -1.26 -4.22 114.28 124.60 1r4y n THR 124 Ca 0.11 -2.37 -0.05 0.00 -3.05 0.00 0.00 64.05 58.68 1r4y n THR 124 Cb 0.47 -1.07 -0.14 0.00 -1.55 0.00 0.00 70.33 68.04 1r4y n THR 124 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1r4y n LYS 125 N -0.64 1.06 0.02 1.09 4.81 -1.26 -5.02 118.16 118.22 1r4y n LYS 125 Ca 0.53 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1r4y n LYS 125 Cb 0.82 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.43 1r4y n LYS 125 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1r4y n GLU 126 N -2.55 0.00 0.00 1.64 0.00 -1.26 -5.01 120.64 113.45 1r4y n GLU 126 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.92 1r4y n GLU 126 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.40 1r4y n GLU 126 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1r4y n ASN 127 N -2.13 0.00 -2.97 4.31 4.13 -1.26 -5.03 115.26 112.31 1r4y n ASN 127 Ca 0.00 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.14 1r4y n ASN 127 Cb 0.00 0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.40 1r4y n ASN 127 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1r4y n GLN 128 N -1.98 0.43 0.00 3.52 7.27 -1.26 -4.84 117.38 120.52 1r4y n GLN 128 Ca 0.00 -2.41 0.00 0.00 0.07 0.00 0.00 57.00 54.66 1r4y n GLN 128 Cb 0.00 -1.53 0.00 0.00 2.41 0.00 0.00 30.24 31.12 1r4y n GLN 128 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1r4y n GLY 129 N 2.85 1.86 3.87 1.69 0.00 -1.26 -5.12 105.19 109.08 1r4y n GLY 129 Ca 0.22 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1r4y n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r4y s GLU 130 N 1.48 3.84 -0.00 1.61 2.12 -1.26 -5.01 118.70 121.48 1r4y s GLU 130 Ca 0.00 0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.70 1r4y s GLU 130 Cb 0.00 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 1r4y s GLU 130 CO 0.00 0.23 0.11 -1.17 -0.54 0.00 0.00 175.26 173.89 1r4y s LEU 131 N -3.04 4.02 0.26 2.70 0.20 -1.26 -4.07 118.68 117.49 1r4y s LEU 131 Ca 0.49 0.19 -0.16 0.00 0.69 0.00 0.00 54.13 55.35 1r4y s LEU 131 Cb -0.11 -2.38 0.00 0.00 -0.43 0.00 0.00 46.19 43.28 1r4y s LEU 131 CO 0.22 0.26 0.56 -1.59 -0.29 0.00 0.00 176.35 175.51 1r4y s LYS 132 N -1.83 1.62 0.31 1.98 -2.85 -1.00 -4.97 119.74 113.00 1r4y s LYS 132 Ca 0.24 -1.15 -0.19 0.00 -1.00 0.00 0.00 55.97 53.87 1r4y s LYS 132 Cb -0.12 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.07 1r4y s LYS 132 CO 0.16 -0.70 0.80 -1.17 0.10 0.00 0.00 175.35 174.54 1r4y s LEU 133 N -2.98 4.17 0.00 2.77 2.96 -1.26 -0.65 118.68 123.69 1r4y s LEU 133 Ca 0.18 1.48 -0.19 0.00 -0.22 0.00 0.00 54.13 55.38 1r4y s LEU 133 Cb -0.02 -4.01 0.30 0.00 0.50 0.00 0.00 46.19 42.96 1r4y s LEU 133 CO 0.08 -0.14 0.68 0.00 -1.32 0.00 0.00 176.35 175.65 1r4y s SER 135 N -2.87 -1.20 0.00 0.00 1.04 -1.02 -4.92 113.70 104.73 1r4y s SER 135 Ca 0.52 0.72 0.31 0.00 0.48 0.00 0.00 55.95 57.98 1r4y s SER 135 Cb -0.09 1.99 1.63 0.00 0.10 0.00 0.00 66.02 69.65 1r4y s SER 135 CO 0.44 -0.22 2.07 0.00 0.98 0.00 0.00 173.24 176.51