#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4y s VAL 2 N 0.00 2.88 -0.34 0.00 0.11 -1.26 -4.51 120.40 117.28 1r4y s VAL 2 Ca 0.00 0.48 -0.23 0.00 -2.93 0.00 0.00 61.98 59.30 1r4y s VAL 2 Cb 0.00 -3.09 0.01 0.00 -1.53 0.00 0.00 36.38 31.76 1r4y s VAL 2 CO 0.00 -0.18 0.77 -0.89 -3.33 0.00 0.00 175.10 171.47 1r4y s THR 3 N -1.92 4.77 0.20 5.04 2.01 -1.26 -1.98 115.64 122.48 1r4y s THR 3 Ca 0.73 0.97 -0.26 0.00 0.31 0.00 0.00 61.69 63.44 1r4y s THR 3 Cb -0.26 -4.18 -0.08 0.00 0.01 0.00 0.00 72.50 67.99 1r4y s THR 3 CO 0.36 -0.36 0.82 0.26 -0.69 0.00 0.00 174.62 175.01 1r4y s TRP 4 N 3.02 3.90 -0.06 4.92 0.52 -0.19 -4.31 118.94 126.74 1r4y s TRP 4 Ca 0.31 1.69 0.04 0.00 0.02 0.00 0.00 56.10 58.16 1r4y s TRP 4 Cb -0.14 -2.81 -0.00 0.00 -1.15 0.00 0.00 33.47 29.37 1r4y s TRP 4 CO 0.15 0.47 -0.19 0.99 0.02 0.00 0.00 176.95 178.40 1r4y s THR 5 N -1.21 1.58 -0.53 2.01 2.01 -1.08 0.43 115.64 118.84 1r4y s THR 5 Ca 0.38 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.65 1r4y s THR 5 Cb -0.23 -1.36 0.37 0.00 0.01 0.00 0.00 72.50 71.28 1r4y s THR 5 CO 0.27 0.45 0.99 0.00 -0.69 0.00 0.00 174.62 175.64 1r4y n GLY 7 N -0.30 -0.84 0.00 0.00 0.00 -1.26 -4.55 105.19 98.23 1r4y n GLY 7 Ca 0.33 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -2.07 -2.48 3.40 -0.02 0.00 -1.26 -4.99 105.19 97.77 1r4y n GLY 8 Ca -0.12 0.81 -0.21 0.00 0.00 0.00 0.00 46.02 46.50 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 2.57 -0.06 0.99 1.43 -1.26 -5.13 118.68 117.22 1r4y s LEU 9 Ca 0.00 -1.03 -0.19 0.00 -1.03 0.00 0.00 54.13 51.88 1r4y s LEU 9 Cb 0.00 -0.84 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 1r4y s LEU 9 CO 0.00 -0.09 0.53 -0.76 0.23 0.00 0.00 176.35 176.26 1r4y s LEU 10 N -3.39 4.35 -0.55 1.79 1.02 -1.26 -3.50 118.68 117.13 1r4y s LEU 10 Ca 0.26 0.98 0.01 0.00 0.02 0.00 0.00 54.13 55.40 1r4y s LEU 10 Cb -0.02 -2.80 0.14 0.00 0.02 0.00 0.00 46.19 43.53 1r4y s LEU 10 CO 0.10 0.06 0.33 -0.31 0.02 0.00 0.00 176.35 176.55 1r4y s TYR 11 N 0.18 3.33 0.10 0.29 2.02 0.17 -4.62 117.35 118.81 1r4y s TYR 11 Ca 0.29 -2.94 -0.34 0.00 -0.37 0.00 0.00 57.07 53.71 1r4y s TYR 11 Cb -0.17 -3.01 -0.13 0.00 -0.40 0.00 0.00 41.96 38.26 1r4y s TYR 11 CO 0.14 -0.80 1.69 -1.71 -1.57 0.00 0.00 175.55 173.29 1r4y n ASN 12 N 3.38 3.34 -0.14 2.29 4.05 -1.26 -1.02 115.26 125.89 1r4y n ASN 12 Ca 0.06 1.04 -0.04 0.00 0.45 0.00 0.00 54.58 56.09 1r4y n ASN 12 Cb 0.35 -1.43 0.02 0.00 1.23 0.00 0.00 39.78 39.95 1r4y n ASN 12 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1r4y h GLN 13 N 7.08 -0.04 -1.04 1.20 5.75 -1.63 0.35 115.11 126.78 1r4y h GLN 13 Ca -0.46 0.00 0.28 0.00 -0.15 0.00 0.00 58.65 58.33 1r4y h GLN 13 Cb 1.25 0.01 -0.12 0.00 1.07 0.00 0.00 27.48 29.69 1r4y h GLN 13 CO 0.91 -0.03 0.64 -0.97 -2.65 0.00 0.00 178.83 176.73 1r4y h ASN 14 N -0.04 0.54 0.06 -0.69 -0.73 -1.85 0.36 115.58 113.23 1r4y h ASN 14 Ca 0.22 0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.51 1r4y h ASN 14 Cb 0.37 0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.02 1r4y h ASN 14 CO -0.49 0.03 -0.03 0.11 -0.37 0.00 0.00 177.43 176.68 1r4y h LYS 15 N 0.43 -0.08 -1.08 6.67 1.57 -0.77 0.46 116.57 123.77 1r4y h LYS 15 Ca 0.66 0.01 0.29 0.00 -1.87 0.00 0.00 60.65 59.74 1r4y h LYS 15 Cb 1.51 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.76 1r4y h LYS 15 CO -0.44 0.43 0.72 0.00 -0.57 0.00 0.00 179.45 179.59 1r4y h ALA 16 N 0.21 2.48 0.08 3.86 0.00 0.16 0.70 119.26 126.75 1r4y h ALA 16 Ca -0.01 0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 1r4y h ALA 16 Cb 0.55 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1r4y h ALA 16 CO 0.01 -0.88 -1.69 1.05 0.00 0.00 0.00 179.25 177.74 1r4y h GLU 17 N 0.27 0.17 0.00 0.00 4.11 -0.52 -3.22 114.58 115.39 1r4y h GLU 17 Ca 0.59 -0.28 -0.03 0.00 0.07 0.00 0.00 59.36 59.71 1r4y h GLU 17 Cb 1.73 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.08 1r4y h GLU 17 CO -0.22 1.14 -0.13 1.03 0.07 0.00 0.00 179.01 180.89 1r4y h SER 18 N -0.36 0.00 0.11 3.06 0.87 0.73 0.59 113.55 118.54 1r4y h SER 18 Ca -0.39 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 1r4y h SER 18 Cb 1.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1r4y h SER 18 CO -0.03 0.13 -0.05 -1.13 -0.53 0.00 0.00 176.83 175.22 1r4y h ASN 19 N 0.00 -0.13 0.76 6.23 -0.73 0.25 -2.98 115.58 118.98 1r4y h ASN 19 Ca -0.00 -0.45 0.00 0.00 1.87 0.00 0.00 56.30 57.72 1r4y h ASN 19 Cb 0.33 0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.95 1r4y h ASN 19 CO 0.02 0.48 0.00 -0.24 -0.37 0.00 0.00 177.43 177.31 1r4y n SER 20 N -4.87 0.37 0.06 1.15 2.88 -0.85 -3.10 113.62 109.27 1r4y n SER 20 Ca -0.08 0.58 -0.13 0.00 -1.33 0.00 0.00 58.87 57.91 1r4y n SER 20 Cb 0.28 -0.66 -0.08 0.00 -0.75 0.00 0.00 64.21 63.00 1r4y n SER 20 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1r4y h HIS 21 N 0.00 -0.09 -0.10 0.66 3.86 0.32 -3.02 115.15 116.78 1r4y h HIS 21 Ca 0.00 -0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1r4y h HIS 21 Cb 0.38 0.03 0.01 0.00 1.06 0.00 0.00 27.41 28.89 1r4y h HIS 21 CO 0.00 0.05 -0.74 0.45 0.86 0.00 0.00 177.93 178.55 1r4y h HIS 22 N -0.21 0.94 -1.14 2.45 3.86 -1.61 -3.46 115.15 116.00 1r4y h HIS 22 Ca -0.01 -0.44 -0.77 0.00 -1.16 0.00 0.00 60.37 57.99 1r4y h HIS 22 Cb 0.18 -0.14 0.05 0.00 1.06 0.00 0.00 27.41 28.56 1r4y h HIS 22 CO -0.04 1.26 0.17 0.00 0.86 0.00 0.00 177.93 180.18 1r4y n ALA 23 N -2.60 -3.03 -2.35 2.45 0.00 -1.14 -4.84 120.51 109.00 1r4y n ALA 23 Ca -0.08 0.58 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 1r4y n ALA 23 Cb 0.73 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 0.24 4.34 -0.83 0.00 0.04 -1.26 -4.90 135.00 132.63 1r4y s PRO 24 Ca 0.90 1.83 -0.26 0.00 0.04 0.00 0.00 61.00 63.51 1r4y s PRO 24 Cb -1.22 -3.50 -0.16 0.00 0.04 0.00 0.00 34.50 29.67 1r4y s PRO 24 CO 0.56 -0.45 2.38 -0.11 0.04 0.00 0.00 177.00 179.42 1r4y n LEU 25 N 4.90 1.72 -3.61 -3.56 7.94 -1.26 -4.61 117.00 118.51 1r4y n LEU 25 Ca 0.11 -1.62 0.00 0.00 -1.11 0.00 0.00 56.01 53.39 1r4y n LEU 25 Cb 0.45 -1.67 -0.01 0.00 0.53 0.00 0.00 43.42 42.72 1r4y n LEU 25 CO 0.57 -2.78 1.06 -0.44 -1.11 0.00 0.00 177.39 174.69 1r4y s SER 26 N 10.51 -0.07 -0.11 1.96 0.01 -1.26 -5.08 113.70 119.66 1r4y s SER 26 Ca 0.92 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 58.10 1r4y s SER 26 Cb -0.13 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 1r4y s SER 26 CO 0.10 -0.26 -0.15 -0.62 0.41 0.00 0.00 173.24 172.72 1r4y s ASP 27 N -2.74 3.84 -1.06 2.44 2.15 -1.26 -4.12 116.67 115.92 1r4y s ASP 27 Ca 0.13 -0.34 -0.16 0.00 0.43 0.00 0.00 52.55 52.61 1r4y s ASP 27 Cb 0.03 -1.38 -0.01 0.00 -0.30 0.00 0.00 42.92 41.26 1r4y s ASP 27 CO -0.04 0.21 0.78 0.61 -0.17 0.00 0.00 175.17 176.55 1r4y n GLY 28 N 3.24 -1.07 2.08 2.66 0.00 -0.87 -4.50 105.19 106.74 1r4y n GLY 28 Ca -0.18 0.48 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.72 0.86 -3.90 1.61 5.02 -1.25 -4.97 118.16 111.81 1r4y n LYS 29 Ca -0.10 -1.85 -0.10 0.00 -2.02 0.00 0.00 58.31 54.23 1r4y n LYS 29 Cb 0.59 -0.12 -0.09 0.00 -0.02 0.00 0.00 35.03 35.39 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 -0.87 0.11 0.00 -0.18 -4.23 -1.26 -5.04 115.64 104.17 1r4y s THR 30 Ca 0.16 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1r4y s THR 30 Cb 0.30 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1r4y s THR 30 CO -0.08 -0.51 0.49 0.61 -0.54 0.00 0.00 174.62 174.58 1r4y n GLY 31 N 1.01 -2.99 0.42 3.99 0.00 -0.55 -2.35 105.19 104.72 1r4y n GLY 31 Ca -0.20 0.63 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 1r4y n GLY 31 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1r4y h SER 32 N 0.00 -1.31 0.00 1.61 0.87 -1.67 -3.38 113.55 109.67 1r4y h SER 32 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1r4y h SER 32 Cb 0.00 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1r4y h SER 32 CO 0.00 -0.51 0.00 -0.24 -0.53 0.00 0.00 176.83 175.55 1r4y n SER 33 N -5.04 0.00 -4.73 6.23 2.88 -0.99 -4.98 113.62 106.99 1r4y n SER 33 Ca -0.08 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.10 1r4y n SER 33 Cb 0.37 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.90 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1r4y s TYR 34 N 0.00 2.12 0.81 0.66 1.51 -1.26 -3.57 117.35 117.62 1r4y s TYR 34 Ca 0.00 1.53 -0.11 0.00 -1.01 0.00 0.00 57.07 57.47 1r4y s TYR 34 Cb 0.00 -3.59 0.08 0.00 -0.11 0.00 0.00 41.96 38.34 1r4y s TYR 34 CO 0.00 -2.70 1.09 -1.25 -1.11 0.00 0.00 175.55 171.58 1r4y s PRO 35 N -3.54 1.97 0.10 -1.71 0.04 -1.26 -4.68 135.00 125.92 1r4y s PRO 35 Ca 0.79 0.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 1r4y s PRO 35 Cb -0.34 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1r4y s PRO 35 CO 0.40 -1.72 0.05 -3.38 0.04 0.00 0.00 177.00 172.39 1r4y s HIS 36 N -3.10 0.65 0.36 0.56 -3.43 -1.11 -2.05 115.29 107.17 1r4y s HIS 36 Ca 0.61 -1.10 -0.28 0.00 -0.80 0.00 0.00 55.06 53.49 1r4y s HIS 36 Cb -0.15 -0.39 -0.11 0.00 -1.43 0.00 0.00 32.58 30.50 1r4y s HIS 36 CO 0.55 -0.48 1.50 -0.46 -2.00 0.00 0.00 174.74 173.85 1r4y s TRP 37 N -3.98 2.62 -0.89 0.38 -0.00 -1.26 -1.77 118.94 114.04 1r4y s TRP 37 Ca 0.16 1.12 -0.01 0.00 -0.00 0.00 0.00 56.10 57.36 1r4y s TRP 37 Cb 0.07 -4.02 0.23 0.00 -0.00 0.00 0.00 33.47 29.75 1r4y s TRP 37 CO -0.04 -3.05 0.81 0.34 -0.00 0.00 0.00 176.95 175.01 1r4y n PHE 38 N 0.73 4.08 -0.48 5.86 7.35 0.12 -4.72 117.46 130.39 1r4y n PHE 38 Ca 0.02 -4.07 0.39 0.00 -0.76 0.00 0.00 57.45 53.03 1r4y n PHE 38 Cb 0.39 -1.09 0.64 0.00 0.35 0.00 0.00 39.48 39.77 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 2.15 -0.17 -1.49 -2.13 -2.24 -1.26 -4.43 114.28 104.71 1r4y n THR 39 Ca 0.22 1.55 -0.17 0.00 -2.27 0.00 0.00 64.05 63.38 1r4y n THR 39 Cb 0.37 -2.55 -0.07 0.00 -2.10 0.00 0.00 70.33 65.98 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 -4.31 -4.91 0.00 3.42 5.15 -1.26 0.03 115.26 113.38 1r4y n ASN 40 Ca 0.37 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.78 1r4y n ASN 40 Cb 1.51 -4.27 0.00 0.00 -0.53 0.00 0.00 39.78 36.49 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 -0.25 3.21 3.53 8.20 0.00 -1.26 -3.97 105.19 114.65 1r4y n GLY 41 Ca -0.17 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 0.35 0.08 1.61 4.01 0.10 -4.82 117.16 118.50 1r4y n TYR 42 Ca 0.00 0.58 -0.17 0.00 -0.16 0.00 0.00 57.90 58.15 1r4y n TYR 42 Cb 0.00 -2.11 -0.14 0.00 -0.31 0.00 0.00 39.34 36.78 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 1.12 0.43 0.00 7.72 5.19 -1.85 -3.43 116.42 125.60 1r4y h ASP 43 Ca -0.42 -0.54 0.00 0.00 -0.62 0.00 0.00 57.03 55.45 1r4y h ASP 43 Cb 1.37 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1r4y h ASP 43 CO 0.54 1.44 0.00 0.61 -3.12 0.00 0.00 179.24 178.71 1r4y n GLY 44 N 1.63 -0.48 3.95 2.75 0.00 -1.26 -5.09 105.19 106.70 1r4y n GLY 44 Ca -0.14 0.54 -0.26 0.00 0.00 0.00 0.00 46.02 46.16 1r4y n GLY 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r4y s ASP 45 N 2.00 4.00 0.00 1.61 1.11 -1.26 -3.94 116.67 120.19 1r4y s ASP 45 Ca 0.00 0.07 0.00 0.00 0.18 0.00 0.00 52.55 52.80 1r4y s ASP 45 Cb 0.00 -0.39 0.00 0.00 1.07 0.00 0.00 42.92 43.60 1r4y s ASP 45 CO 0.00 -2.13 0.00 0.61 1.18 0.00 0.00 175.17 174.83 1r4y n GLY 46 N -3.20 0.56 0.74 0.21 0.00 -1.15 -4.67 105.19 97.68 1r4y n GLY 46 Ca 0.13 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 1r4y n GLY 46 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1r4y n LYS 47 N 0.00 -2.04 -2.36 1.61 2.85 -1.26 -4.00 118.16 112.96 1r4y n LYS 47 Ca 0.00 -0.36 -0.25 0.00 -1.05 0.00 0.00 58.31 56.65 1r4y n LYS 47 Cb 0.00 -0.39 0.10 0.00 -0.65 0.00 0.00 35.03 34.10 1r4y n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1r4y s LEU 48 N 0.00 2.91 0.00 -5.58 1.02 -1.26 -4.43 118.68 111.35 1r4y s LEU 48 Ca 0.15 0.03 -0.11 0.00 0.02 0.00 0.00 54.13 54.22 1r4y s LEU 48 Cb -0.02 -2.46 0.16 0.00 0.02 0.00 0.00 46.19 43.89 1r4y s LEU 48 CO 0.12 -1.88 0.69 -0.81 0.02 0.00 0.00 176.35 174.50 1r4y n PRO 49 N -2.99 -1.65 -1.93 1.29 -0.04 -1.26 -4.88 135.00 123.54 1r4y n PRO 49 Ca 0.12 -1.09 -0.31 0.00 -0.04 0.00 0.00 63.50 62.19 1r4y n PRO 49 Cb 0.60 -0.89 -0.04 0.00 -0.04 0.00 0.00 33.50 33.13 1r4y n PRO 49 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1r4y s LYS 50 N -4.54 2.41 0.00 0.54 2.20 -1.26 -4.26 119.74 114.83 1r4y s LYS 50 Ca 0.42 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 1r4y s LYS 50 Cb -0.03 -4.72 0.00 0.00 -1.51 0.00 0.00 37.83 31.57 1r4y s LYS 50 CO 0.31 -3.26 0.00 0.41 -0.36 0.00 0.00 175.35 172.45 1r4y n GLY 51 N 6.32 1.37 3.62 5.54 0.00 -1.26 -5.18 105.19 115.60 1r4y n GLY 51 Ca 0.33 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.10 0.17 -0.30 1.61 1.81 -1.26 -5.11 118.95 115.77 1r4y s ARG 52 Ca 0.00 -0.03 -0.03 0.00 -1.72 0.00 0.00 55.73 53.96 1r4y s ARG 52 Cb 0.00 0.08 0.11 0.00 -0.45 0.00 0.00 34.95 34.69 1r4y s ARG 52 CO 0.00 -0.07 0.17 0.99 -0.68 0.00 0.00 175.30 175.72 1r4y s THR 53 N -1.75 -0.10 1.16 0.02 2.01 -1.26 -5.05 115.64 110.66 1r4y s THR 53 Ca 0.09 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 61.05 1r4y s THR 53 Cb -0.01 -0.99 0.27 0.00 0.01 0.00 0.00 72.50 71.78 1r4y s THR 53 CO -0.05 -0.72 1.14 -2.16 -0.69 0.00 0.00 174.62 172.14 1r4y s PRO 54 N 1.98 -0.89 -0.12 4.92 0.04 -1.26 -4.81 135.00 134.86 1r4y s PRO 54 Ca 0.11 -0.09 -0.10 0.00 0.04 0.00 0.00 61.00 60.95 1r4y s PRO 54 Cb -0.17 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1r4y s PRO 54 CO -0.30 -3.49 0.22 0.42 0.04 0.00 0.00 177.00 173.89 1r4y s ILE 55 N -3.13 5.36 0.32 0.56 1.01 -1.25 -5.05 121.20 119.01 1r4y s ILE 55 Ca 0.71 0.39 -0.05 0.00 0.00 0.00 0.00 60.65 61.70 1r4y s ILE 55 Cb -0.09 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 1r4y s ILE 55 CO 0.56 0.54 0.59 -0.75 0.00 0.00 0.00 174.94 175.88 1r4y s LYS 56 N -0.55 3.64 0.00 2.79 2.36 -1.26 -4.93 119.74 121.79 1r4y s LYS 56 Ca 0.16 0.05 0.00 0.00 -2.55 0.00 0.00 55.97 53.63 1r4y s LYS 56 Cb -0.13 -2.60 0.00 0.00 -1.05 0.00 0.00 37.83 34.05 1r4y s LYS 56 CO 0.05 0.16 0.00 1.19 1.55 0.00 0.00 175.35 178.30 1r4y n PHE 57 N -1.09 -0.02 0.00 4.03 3.01 -1.26 -4.79 117.46 117.34 1r4y n PHE 57 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1r4y n PHE 57 Cb 0.54 0.39 0.00 0.00 -0.01 0.00 0.00 39.48 40.40 1r4y n PHE 57 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1r4y n GLY 58 N 1.46 1.17 3.79 1.37 0.00 -1.26 -5.09 105.19 106.63 1r4y n GLY 58 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.01 4.02 0.00 1.61 -0.14 -1.26 -4.96 119.74 118.99 1r4y s LYS 59 Ca 0.00 0.17 0.18 0.00 -1.36 0.00 0.00 55.97 54.97 1r4y s LYS 59 Cb 0.00 -3.32 0.94 0.00 -1.68 0.00 0.00 37.83 33.77 1r4y s LYS 59 CO 0.00 0.46 1.56 0.45 -0.76 0.00 0.00 175.35 177.06 1r4y n SER 60 N 2.79 0.00 -0.11 2.83 2.88 -1.26 -0.83 113.62 119.92 1r4y n SER 60 Ca -0.14 -0.02 -0.22 0.00 -1.33 0.00 0.00 58.87 57.17 1r4y n SER 60 Cb 0.52 -0.27 -0.10 0.00 -0.75 0.00 0.00 64.21 63.62 1r4y n SER 60 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1r4y n ASP 61 N -1.27 1.87 0.04 -3.46 9.92 -1.26 -2.87 116.55 119.53 1r4y n ASP 61 Ca 0.09 0.42 -0.15 0.00 -0.53 0.00 0.00 54.79 54.62 1r4y n ASP 61 Cb 0.14 -0.93 -0.06 0.00 -0.64 0.00 0.00 41.12 39.64 1r4y n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r4y h ASP 63 N 0.34 0.97 -2.99 0.00 3.58 -1.17 -3.44 116.42 113.70 1r4y h ASP 63 Ca -0.08 -0.02 -0.53 0.00 0.42 0.00 0.00 57.03 56.81 1r4y h ASP 63 Cb 1.54 -0.24 0.22 0.00 1.72 0.00 0.00 39.33 42.58 1r4y h ASP 63 CO 0.17 0.70 -0.93 -2.11 -2.88 0.00 0.00 179.24 174.19 1r4y n ARG 64 N -4.50 -0.29 -2.54 0.28 1.85 -1.14 -4.93 116.66 105.39 1r4y n ARG 64 Ca 0.09 -0.06 -0.37 0.00 -1.00 0.00 0.00 57.85 56.51 1r4y n ARG 64 Cb 0.02 -1.64 -0.04 0.00 -1.05 0.00 0.00 32.46 29.75 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 -3.23 4.26 0.88 2.89 0.04 -1.26 -4.97 135.00 133.61 1r4y s PRO 65 Ca 0.53 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 1r4y s PRO 65 Cb -0.19 -2.67 0.12 0.00 0.04 0.00 0.00 34.50 31.80 1r4y s PRO 65 CO 0.71 -0.06 1.13 -1.25 0.04 0.00 0.00 177.00 177.56 1r4y s PRO 66 N -2.29 1.41 -0.39 0.56 0.04 -1.26 -4.82 135.00 128.26 1r4y s PRO 66 Ca 0.55 0.36 0.12 0.00 0.04 0.00 0.00 61.00 62.08 1r4y s PRO 66 Cb -0.24 -1.86 0.42 0.00 0.04 0.00 0.00 34.50 32.86 1r4y s PRO 66 CO 0.30 -2.03 0.97 1.17 0.04 0.00 0.00 177.00 177.45 1r4y n LYS 67 N -3.66 1.99 -2.38 4.56 3.00 -1.26 -2.92 118.16 117.48 1r4y n LYS 67 Ca 0.07 -3.79 -0.30 0.00 -0.00 0.00 0.00 58.31 54.29 1r4y n LYS 67 Cb 0.59 -1.69 -0.01 0.00 0.00 0.00 0.00 35.03 33.92 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 -3.19 3.56 0.00 5.64 2.46 -1.25 -4.16 115.29 118.35 1r4y s HIS 68 Ca 0.37 1.08 0.00 0.00 0.47 0.00 0.00 55.06 56.98 1r4y s HIS 68 Cb 0.41 -2.52 0.00 0.00 -0.13 0.00 0.00 32.58 30.34 1r4y s HIS 68 CO -0.06 -0.40 0.00 0.43 -2.47 0.00 0.00 174.74 172.24 1r4y n SER 69 N -2.20 0.00 -2.30 9.88 7.64 -1.26 -4.13 113.62 121.24 1r4y n SER 69 Ca 0.03 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.87 1r4y n SER 69 Cb 0.54 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.77 1r4y n SER 69 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1r4y n LYS 70 N -0.49 -0.12 -0.45 1.43 4.81 -1.26 -4.93 118.16 117.16 1r4y n LYS 70 Ca 0.00 -0.33 -0.04 0.00 -0.87 0.00 0.00 58.31 57.07 1r4y n LYS 70 Cb 0.00 -0.20 0.02 0.00 0.02 0.00 0.00 35.03 34.87 1r4y n LYS 70 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1r4y n ASP 71 N -3.12 4.73 0.00 3.14 2.03 -1.26 -4.66 116.55 117.41 1r4y n ASP 71 Ca 0.03 -2.46 0.00 0.00 0.52 0.00 0.00 54.79 52.88 1r4y n ASP 71 Cb 0.09 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r4y n GLY 72 N 0.85 -1.25 2.39 0.27 0.00 -1.26 -4.80 105.19 101.39 1r4y n GLY 72 Ca 0.08 0.42 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 -0.79 0.00 1.61 5.15 -1.26 -4.70 115.26 115.27 1r4y n ASN 73 Ca 0.00 -2.61 0.00 0.00 -0.60 0.00 0.00 54.58 51.37 1r4y n ASN 73 Cb 0.00 -0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 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 2.28 0.00 0.00 8.20 0.00 -1.26 -4.71 105.19 109.70 1r4y n GLY 74 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.91 1.61 5.02 -1.26 -4.86 118.16 117.77 1r4y n LYS 75 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1r4y n LYS 75 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 35.36 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 2.79 -0.71 -0.18 5.66 -1.26 -5.01 114.28 115.57 1r4y n THR 76 Ca 0.00 -1.58 -0.25 0.00 -3.05 0.00 0.00 64.05 59.17 1r4y n THR 76 Cb 0.00 -0.31 -0.07 0.00 -1.55 0.00 0.00 70.33 68.40 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 0.18 0.26 -0.09 1.09 9.92 -1.26 -4.72 116.55 121.92 1r4y n ASP 77 Ca 0.32 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.80 1r4y n ASP 77 Cb 1.24 -0.47 0.01 0.00 -0.64 0.00 0.00 41.12 41.27 1r4y n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r4y n HIS 78 N 4.68 0.04 -1.27 1.24 1.44 -1.26 -4.67 115.22 115.42 1r4y n HIS 78 Ca 0.31 -0.02 -0.43 0.00 -2.01 0.00 0.00 57.72 55.57 1r4y n HIS 78 Cb -0.00 -0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.08 1r4y n HIS 78 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1r4y n TYR 79 N -0.39 -0.67 -1.82 -1.40 4.11 -1.26 -3.53 117.16 112.20 1r4y n TYR 79 Ca 0.01 0.84 -0.31 0.00 -0.00 0.00 0.00 57.90 58.44 1r4y n TYR 79 Cb 0.04 -1.77 0.02 0.00 -0.00 0.00 0.00 39.34 37.63 1r4y n TYR 79 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1r4y s LEU 80 N 2.94 3.27 -0.02 -3.48 1.43 -1.26 -2.90 118.68 118.66 1r4y s LEU 80 Ca 0.58 1.60 -0.00 0.00 -1.03 0.00 0.00 54.13 55.27 1r4y s LEU 80 Cb -0.81 -4.50 0.02 0.00 0.03 0.00 0.00 46.19 40.93 1r4y s LEU 80 CO 0.52 -1.16 0.03 -0.76 0.23 0.00 0.00 176.35 175.21 1r4y s LEU 81 N -5.11 1.38 0.10 1.79 1.43 0.10 0.14 118.68 118.50 1r4y s LEU 81 Ca 0.58 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 1r4y s LEU 81 Cb -0.13 -0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.04 1r4y s LEU 81 CO 0.49 -0.08 0.19 -1.83 0.23 0.00 0.00 176.35 175.35 1r4y s GLU 82 N 0.68 3.28 -0.04 1.70 1.03 -0.73 -2.16 118.70 122.46 1r4y s GLU 82 Ca -0.06 -0.57 -0.02 0.00 0.03 0.00 0.00 54.97 54.36 1r4y s GLU 82 Cb -0.08 -2.92 0.03 0.00 -0.80 0.00 0.00 34.13 30.36 1r4y s GLU 82 CO -0.02 0.57 0.08 0.12 -1.33 0.00 0.00 175.26 174.68 1r4y s PHE 83 N -1.57 -0.07 -0.85 4.83 5.36 -0.54 -2.77 117.98 122.37 1r4y s PHE 83 Ca 0.33 0.28 -0.25 0.00 -0.96 0.00 0.00 56.93 56.34 1r4y s PHE 83 Cb -0.12 -0.11 -0.00 0.00 -0.34 0.00 0.00 43.02 42.44 1r4y s PHE 83 CO 0.26 -0.11 1.67 -1.25 -1.46 0.00 0.00 175.22 174.34 1r4y s PRO 84 N 0.86 2.98 -0.27 10.12 0.04 -1.26 -0.42 135.00 147.04 1r4y s PRO 84 Ca -0.07 -0.34 -0.17 0.00 0.04 0.00 0.00 61.00 60.46 1r4y s PRO 84 Cb -0.09 -4.86 -0.03 0.00 0.04 0.00 0.00 34.50 29.56 1r4y s PRO 84 CO -0.03 -2.70 0.48 -0.08 0.04 0.00 0.00 177.00 174.70 1r4y s THR 85 N 7.67 5.09 0.38 1.26 -1.32 -1.23 -4.71 115.64 122.78 1r4y s THR 85 Ca 0.57 0.73 -0.15 0.00 -1.21 0.00 0.00 61.69 61.63 1r4y s THR 85 Cb -0.06 -3.81 -0.08 0.00 -1.51 0.00 0.00 72.50 67.03 1r4y s THR 85 CO 0.04 0.06 0.80 -0.36 -2.21 0.00 0.00 174.62 172.95 1r4y s PHE 86 N 2.26 3.40 0.01 9.09 0.40 -1.26 -4.81 117.98 127.07 1r4y s PHE 86 Ca 0.19 1.25 -0.18 0.00 -0.60 0.00 0.00 56.93 57.59 1r4y s PHE 86 Cb -0.16 -2.58 -0.29 0.00 0.51 0.00 0.00 43.02 40.50 1r4y s PHE 86 CO 0.10 -0.04 1.03 -1.00 0.70 0.00 0.00 175.22 176.01 1r4y h PRO 87 N 1.77 0.47 -1.47 0.24 0.13 -1.92 -3.19 132.00 128.03 1r4y h PRO 87 Ca -0.48 -0.65 0.45 0.00 -0.87 0.00 0.00 66.00 64.46 1r4y h PRO 87 Cb 1.18 0.22 -0.10 0.00 0.13 0.00 0.00 31.00 32.43 1r4y h PRO 87 CO 0.64 1.27 1.01 0.22 -0.23 0.00 0.00 178.00 180.91 1r4y h ASP 88 N -0.02 0.15 0.00 1.44 1.82 -1.95 -3.44 116.42 114.42 1r4y h ASP 88 Ca -0.15 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1r4y h ASP 88 Cb 1.70 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.77 1r4y h ASP 88 CO 0.18 -0.08 0.00 0.61 -1.61 0.00 0.00 179.24 178.34 1r4y n GLY 89 N -1.68 1.00 3.73 -0.78 0.00 -1.21 -5.07 105.19 101.18 1r4y n GLY 89 Ca 0.37 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 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 3.59 -0.61 1.61 -3.43 -1.26 -4.99 115.29 108.20 1r4y s HIS 90 Ca 0.00 1.18 -0.27 0.00 -0.80 0.00 0.00 55.06 55.17 1r4y s HIS 90 Cb 0.00 -2.72 -0.02 0.00 -1.43 0.00 0.00 32.58 28.42 1r4y s HIS 90 CO 0.00 0.16 1.79 0.34 -2.00 0.00 0.00 174.74 175.04 1r4y s ASP 91 N 0.54 5.40 0.18 7.38 -1.08 -1.26 -4.45 116.67 123.38 1r4y s ASP 91 Ca 0.34 0.31 -0.21 0.00 -0.52 0.00 0.00 52.55 52.47 1r4y s ASP 91 Cb -0.17 -2.53 -0.13 0.00 -1.46 0.00 0.00 42.92 38.62 1r4y s ASP 91 CO 0.17 -2.28 0.37 0.00 0.52 0.00 0.00 175.17 173.95 1r4y n TYR 92 N 12.24 -0.53 -1.25 -5.34 9.36 -1.26 -4.76 117.16 125.62 1r4y n TYR 92 Ca 0.19 0.74 -0.36 0.00 3.32 0.00 0.00 57.90 61.78 1r4y n TYR 92 Cb 0.51 -1.53 -0.02 0.00 -0.63 0.00 0.00 39.34 37.67 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 0.82 3.19 0.00 2.98 2.85 -1.26 -4.54 118.16 122.20 1r4y n LYS 93 Ca 0.14 -2.09 0.08 0.00 -1.05 0.00 0.00 58.31 55.38 1r4y n LYS 93 Cb 0.21 -2.80 0.45 0.00 -0.65 0.00 0.00 35.03 32.24 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 4.18 0.00 -0.09 5.58 1.16 -1.26 -3.12 117.46 123.92 1r4y n PHE 94 Ca 0.68 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 56.16 1r4y n PHE 94 Cb 0.24 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 37.99 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 -0.79 1.55 -4.34 5.98 -0.08 -1.26 -1.48 116.55 116.13 1r4y n ASP 95 Ca 0.11 -0.04 -0.46 0.00 -1.51 0.00 0.00 54.79 52.90 1r4y n ASP 95 Cb 0.05 0.49 -0.04 0.00 2.34 0.00 0.00 41.12 43.97 1r4y n ASP 95 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1r4y s SER 96 N -5.27 6.42 0.17 1.67 0.01 -1.18 -3.77 113.70 111.75 1r4y s SER 96 Ca -0.14 -2.08 -0.02 0.00 1.31 0.00 0.00 55.95 55.02 1r4y s SER 96 Cb 0.05 -2.24 0.04 0.00 0.21 0.00 0.00 66.02 64.09 1r4y s SER 96 CO 0.59 -0.81 1.42 0.07 0.41 0.00 0.00 173.24 174.92 1r4y h LYS 97 N 8.53 0.43 -4.78 12.44 2.10 -1.80 -3.38 116.57 130.10 1r4y h LYS 97 Ca -0.12 -0.36 -0.67 0.00 -2.00 0.00 0.00 60.65 57.50 1r4y h LYS 97 Cb 1.07 0.07 -0.38 0.00 -0.90 0.00 0.00 32.23 32.10 1r4y h LYS 97 CO 0.95 0.99 -0.76 0.21 -2.00 0.00 0.00 179.45 178.84 1r4y s LYS 98 N -3.62 1.94 0.98 0.07 2.47 -1.26 -1.40 119.74 118.91 1r4y s LYS 98 Ca -0.06 -1.57 -0.14 0.00 -1.56 0.00 0.00 55.97 52.64 1r4y s LYS 98 Cb 0.10 -3.05 0.18 0.00 -1.46 0.00 0.00 37.83 33.60 1r4y s LYS 98 CO 0.84 -0.73 1.15 -1.25 0.16 0.00 0.00 175.35 175.52 1r4y s PRO 99 N 1.03 0.57 -0.13 4.03 0.04 -1.26 -5.15 135.00 134.13 1r4y s PRO 99 Ca -0.00 0.18 0.02 0.00 0.04 0.00 0.00 61.00 61.24 1r4y s PRO 99 Cb -0.20 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1r4y s PRO 99 CO -0.06 -2.56 -0.20 0.21 0.04 0.00 0.00 177.00 174.43 1r4y s LYS 100 N -5.32 3.13 0.38 4.56 2.20 -0.50 -4.76 119.74 119.44 1r4y s LYS 100 Ca 0.66 -0.81 -0.19 0.00 -0.36 0.00 0.00 55.97 55.27 1r4y s LYS 100 Cb -0.13 -2.47 -0.10 0.00 -1.51 0.00 0.00 37.83 33.61 1r4y s LYS 100 CO 0.54 0.08 0.86 -2.00 -0.36 0.00 0.00 175.35 174.48 1r4y s GLU 101 N 0.61 4.15 0.29 4.03 2.56 -1.26 -5.03 118.70 124.05 1r4y s GLU 101 Ca -0.11 0.95 -0.29 0.00 0.00 0.00 0.00 54.97 55.52 1r4y s GLU 101 Cb -0.16 -2.30 -0.14 0.00 2.00 0.00 0.00 34.13 33.53 1r4y s GLU 101 CO 0.03 0.06 1.10 0.09 -0.56 0.00 0.00 175.26 175.98 1r4y n ASN 102 N -0.48 1.69 -2.90 -1.70 4.13 -1.26 -5.01 115.26 109.73 1r4y n ASN 102 Ca 0.05 1.18 0.00 0.00 1.68 0.00 0.00 54.58 57.49 1r4y n ASN 102 Cb 0.54 -1.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.44 1r4y n ASN 102 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1r4y n PRO 103 N 0.85 0.31 -4.07 3.52 -0.04 -1.26 -5.04 135.00 129.26 1r4y n PRO 103 Ca 0.09 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1r4y n PRO 103 Cb 0.32 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.68 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 -1.71 0.44 -0.04 0.55 0.00 -1.26 -5.09 107.32 100.21 1r4y s GLY 104 Ca 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 44.72 43.52 1r4y s GLY 104 CO 0.00 -1.24 0.36 -0.56 0.00 0.00 0.00 173.10 171.67 1r4y h PRO 105 N 3.30 -0.25 -6.69 2.90 0.13 -1.95 -3.45 132.00 125.99 1r4y h PRO 105 Ca -0.34 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.28 1r4y h PRO 105 Cb 1.15 0.06 0.04 0.00 0.13 0.00 0.00 31.00 32.38 1r4y h PRO 105 CO 0.63 -0.17 0.72 0.00 -0.23 0.00 0.00 178.00 178.95 1r4y s ALA 106 N -3.32 3.59 0.01 -0.56 0.00 -1.26 -4.71 121.76 115.51 1r4y s ALA 106 Ca -0.04 1.21 -0.00 0.00 0.00 0.00 0.00 51.96 53.13 1r4y s ALA 106 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1r4y s ALA 106 CO 0.11 -0.64 -0.01 1.03 0.00 0.00 0.00 175.76 176.26 1r4y s ARG 107 N -0.00 0.23 -0.24 0.00 0.52 -1.17 -3.56 118.95 114.73 1r4y s ARG 107 Ca 0.59 -0.41 -0.26 0.00 -0.52 0.00 0.00 55.73 55.13 1r4y s ARG 107 Cb -0.39 0.08 -0.00 0.00 0.52 0.00 0.00 34.95 35.16 1r4y s ARG 107 CO 0.39 -0.04 0.90 0.54 0.02 0.00 0.00 175.30 177.11 1r4y s VAL 108 N -1.02 4.78 -0.22 3.52 0.11 0.44 -1.79 120.40 126.23 1r4y s VAL 108 Ca -0.11 1.73 -0.07 0.00 -2.93 0.00 0.00 61.98 60.60 1r4y s VAL 108 Cb -0.07 -4.18 -0.03 0.00 -1.53 0.00 0.00 36.38 30.57 1r4y s VAL 108 CO -0.01 -0.11 0.05 -0.63 -3.33 0.00 0.00 175.10 171.08 1r4y s ILE 109 N 2.94 4.39 0.12 7.04 1.09 0.17 -1.47 121.20 135.48 1r4y s ILE 109 Ca 0.38 -0.16 -0.03 0.00 -1.10 0.00 0.00 60.65 59.74 1r4y s ILE 109 Cb -0.15 -3.01 -0.03 0.00 -1.06 0.00 0.00 42.46 38.20 1r4y s ILE 109 CO 0.07 0.40 0.11 -0.72 -0.10 0.00 0.00 174.94 174.69 1r4y s TYR 110 N 1.07 0.65 0.46 3.97 -0.85 -0.92 -1.28 117.35 120.46 1r4y s TYR 110 Ca 0.04 -1.06 -0.01 0.00 -0.52 0.00 0.00 57.07 55.52 1r4y s TYR 110 Cb -0.14 -0.34 -0.01 0.00 0.38 0.00 0.00 41.96 41.85 1r4y s TYR 110 CO 0.03 -0.55 0.70 0.95 -1.52 0.00 0.00 175.55 175.16 1r4y s THR 111 N -4.00 4.14 0.15 -3.49 -4.23 -1.25 -0.72 115.64 106.25 1r4y s THR 111 Ca 0.19 -0.36 0.10 0.00 -1.18 0.00 0.00 61.69 60.43 1r4y s THR 111 Cb 0.06 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 1r4y s THR 111 CO -0.01 -0.42 -0.18 -0.47 -0.54 0.00 0.00 174.62 173.00 1r4y s TYR 112 N -2.61 2.48 -0.06 3.99 6.14 -1.14 -3.44 117.35 122.71 1r4y s TYR 112 Ca 0.48 -0.29 -0.25 0.00 0.64 0.00 0.00 57.07 57.66 1r4y s TYR 112 Cb -0.10 -1.27 -0.20 0.00 0.42 0.00 0.00 41.96 40.81 1r4y s TYR 112 CO 0.39 0.44 0.99 -1.00 0.64 0.00 0.00 175.55 177.02 1r4y h PRO 113 N 3.39 -0.07 -6.00 4.97 0.13 -1.86 -3.38 132.00 129.18 1r4y h PRO 113 Ca -0.48 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.88 1r4y h PRO 113 Cb 1.19 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1r4y h PRO 113 CO 0.48 0.51 1.23 -1.71 -0.23 0.00 0.00 178.00 178.29 1r4y n ASN 114 N -4.82 1.04 -3.51 1.44 5.15 -1.26 -4.68 115.26 108.62 1r4y n ASN 114 Ca -0.08 0.73 -0.40 0.00 -0.60 0.00 0.00 54.58 54.22 1r4y n ASN 114 Cb 0.31 -0.95 -0.08 0.00 -0.53 0.00 0.00 39.78 38.53 1r4y n ASN 114 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1r4y n LYS 115 N 7.05 0.85 -1.13 1.20 4.81 -1.22 -4.26 118.16 125.46 1r4y n LYS 115 Ca 0.49 -1.41 -0.34 0.00 -0.87 0.00 0.00 58.31 56.18 1r4y n LYS 115 Cb -0.00 -2.67 -0.03 0.00 0.02 0.00 0.00 35.03 32.35 1r4y n LYS 115 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1r4y n VAL 116 N 6.25 2.83 -1.36 3.15 0.31 -1.23 -4.81 118.33 123.45 1r4y n VAL 116 Ca 0.46 -1.98 -0.53 0.00 -0.01 0.00 0.00 64.34 62.28 1r4y n VAL 116 Cb 0.37 -2.36 -0.08 0.00 -0.91 0.00 0.00 33.84 30.87 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 5.24 1.04 -0.12 3.52 -0.00 -1.26 -3.74 117.46 122.14 1r4y n PHE 117 Ca 0.54 0.93 -0.15 0.00 -0.00 0.00 0.00 57.45 58.76 1r4y n PHE 117 Cb 0.26 -1.81 -0.12 0.00 -0.00 0.00 0.00 39.48 37.82 1r4y n PHE 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1r4y n GLY 119 N 2.26 -0.39 3.41 0.00 0.00 -1.21 -5.00 105.19 104.26 1r4y n GLY 119 Ca -0.41 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.01 2.51 0.24 -0.61 1.09 -1.26 -0.65 121.20 119.50 1r4y s ILE 120 Ca 0.00 -1.32 0.08 0.00 -1.10 0.00 0.00 60.65 58.31 1r4y s ILE 120 Cb 0.00 -2.04 -0.04 0.00 -1.06 0.00 0.00 42.46 39.32 1r4y s ILE 120 CO 0.00 0.32 0.06 0.27 -0.10 0.00 0.00 174.94 175.49 1r4y s ILE 121 N -0.90 3.82 0.00 2.92 -4.36 -0.74 0.47 121.20 122.41 1r4y s ILE 121 Ca 0.14 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 1r4y s ILE 121 Cb -0.10 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.59 1r4y s ILE 121 CO 0.04 -0.29 0.00 0.00 0.24 0.00 0.00 174.94 174.93 1r4y n ALA 122 N -0.76 0.00 -2.98 2.27 0.00 0.82 -3.03 120.51 116.83 1r4y n ALA 122 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.92 1r4y n ALA 122 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1r4y n ALA 122 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1r4y s HIS 123 N -2.00 2.98 -0.68 0.00 0.09 -1.25 -1.79 115.29 112.64 1r4y s HIS 123 Ca 0.00 -1.03 -0.01 0.00 -0.00 0.00 0.00 55.06 54.02 1r4y s HIS 123 Cb 0.00 -4.19 0.42 0.00 -0.00 0.00 0.00 32.58 28.81 1r4y s HIS 123 CO 0.00 -1.46 1.89 0.25 -0.00 0.00 0.00 174.74 175.42 1r4y n THR 124 N 5.56 3.43 -0.03 1.30 -2.24 -1.26 -4.26 114.28 116.78 1r4y n THR 124 Ca 0.05 -3.65 0.02 0.00 -2.27 0.00 0.00 64.05 58.20 1r4y n THR 124 Cb 0.46 -1.19 -0.12 0.00 -2.10 0.00 0.00 70.33 67.38 1r4y n THR 124 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1r4y n LYS 125 N -0.74 0.96 0.00 -0.78 3.00 -1.26 -5.03 118.16 114.30 1r4y n LYS 125 Ca 0.57 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 1r4y n LYS 125 Cb 0.55 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 34.21 1r4y n LYS 125 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1r4y n GLU 126 N -2.24 0.00 0.08 1.64 0.00 -1.26 -5.03 120.64 113.83 1r4y n GLU 126 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.05 1r4y n GLU 126 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.08 1r4y n GLU 126 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1r4y n ASN 127 N -1.63 0.03 -2.74 4.31 6.94 -1.26 -5.03 115.26 115.88 1r4y n ASN 127 Ca 0.00 0.26 -0.05 0.00 -0.02 0.00 0.00 54.58 54.77 1r4y n ASN 127 Cb 0.00 0.17 0.02 0.00 -2.36 0.00 0.00 39.78 37.61 1r4y n ASN 127 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1r4y n GLN 128 N -3.12 0.48 0.00 -3.83 6.02 -1.26 -4.84 117.38 110.82 1r4y n GLN 128 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 57.00 55.29 1r4y n GLN 128 Cb 0.04 -1.13 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1r4y n GLN 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r4y n GLY 129 N 2.59 0.68 3.87 1.08 0.00 -1.26 -5.09 105.19 107.06 1r4y n GLY 129 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1r4y n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r4y s GLU 130 N 1.27 3.81 0.29 1.61 2.02 -1.26 -4.96 118.70 121.48 1r4y s GLU 130 Ca 0.00 0.26 -0.21 0.00 0.02 0.00 0.00 54.97 55.04 1r4y s GLU 130 Cb 0.00 -2.81 -0.09 0.00 0.10 0.00 0.00 34.13 31.32 1r4y s GLU 130 CO 0.00 0.43 0.81 -0.51 0.02 0.00 0.00 175.26 176.01 1r4y s LEU 131 N -2.40 4.26 0.26 1.80 1.43 -1.26 -3.97 118.68 118.80 1r4y s LEU 131 Ca 0.41 1.55 -0.18 0.00 -1.03 0.00 0.00 54.13 54.88 1r4y s LEU 131 Cb -0.13 -3.88 0.01 0.00 0.03 0.00 0.00 46.19 42.23 1r4y s LEU 131 CO 0.20 -0.07 0.63 -1.59 0.23 0.00 0.00 176.35 175.75 1r4y s LYS 132 N -2.26 1.68 0.16 1.70 -2.85 -0.74 -4.94 119.74 112.50 1r4y s LYS 132 Ca 0.49 -1.06 -0.25 0.00 -1.00 0.00 0.00 55.97 54.14 1r4y s LYS 132 Cb -0.16 0.56 -0.08 0.00 -2.06 0.00 0.00 37.83 36.10 1r4y s LYS 132 CO 0.20 -0.75 0.78 -1.17 0.10 0.00 0.00 175.35 174.52 1r4y s LEU 133 N -2.95 4.59 0.00 2.77 2.96 -1.26 -0.13 118.68 124.67 1r4y s LEU 133 Ca 0.15 1.65 -0.10 0.00 -0.22 0.00 0.00 54.13 55.60 1r4y s LEU 133 Cb -0.04 -3.30 0.16 0.00 0.50 0.00 0.00 46.19 43.51 1r4y s LEU 133 CO 0.07 0.20 0.36 0.00 -1.32 0.00 0.00 176.35 175.66 1r4y s SER 135 N -2.41 -0.72 0.00 0.00 0.15 -0.81 -4.92 113.70 105.00 1r4y s SER 135 Ca 0.28 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1r4y s SER 135 Cb -0.05 1.78 0.00 0.00 -1.71 0.00 0.00 66.02 66.04 1r4y s SER 135 CO 0.24 -0.14 0.00 1.41 1.20 0.00 0.00 173.24 175.95