#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 2.07 -0.47 0.00 0.11 -1.26 -4.96 120.40 115.89 1r4y s VAL 2 Ca 0.00 -1.04 -0.22 0.00 -2.93 0.00 0.00 61.98 57.79 1r4y s VAL 2 Cb 0.00 -1.77 0.03 0.00 -1.53 0.00 0.00 36.38 33.11 1r4y s VAL 2 CO 0.00 0.56 0.76 -0.89 -3.33 0.00 0.00 175.10 172.20 1r4y s THR 3 N 0.12 4.68 0.26 5.04 2.01 -1.26 -0.19 115.64 126.30 1r4y s THR 3 Ca -0.12 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1r4y s THR 3 Cb -0.16 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 67.94 1r4y s THR 3 CO 0.07 -0.75 1.02 0.26 -0.69 0.00 0.00 174.62 174.52 1r4y s TRP 4 N 3.20 3.80 -0.15 4.92 0.52 0.72 -4.27 118.94 127.69 1r4y s TRP 4 Ca 0.27 1.82 0.00 0.00 0.02 0.00 0.00 56.10 58.21 1r4y s TRP 4 Cb -0.13 -3.12 0.02 0.00 -1.15 0.00 0.00 33.47 29.09 1r4y s TRP 4 CO 0.20 -0.02 -0.14 0.99 0.02 0.00 0.00 176.95 178.01 1r4y s THR 5 N -1.17 1.56 -0.97 2.01 2.01 -1.22 0.32 115.64 118.19 1r4y s THR 5 Ca 0.43 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 1r4y s THR 5 Cb -0.29 -1.47 0.31 0.00 0.01 0.00 0.00 72.50 71.07 1r4y s THR 5 CO 0.36 0.46 1.52 0.00 -0.69 0.00 0.00 174.62 176.27 1r4y n GLY 7 N 0.50 -0.61 0.00 0.00 0.00 -1.26 -4.26 105.19 99.55 1r4y n GLY 7 Ca 0.36 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.80 -1.93 3.60 -0.02 0.00 -1.26 -4.90 105.19 98.87 1r4y n GLY 8 Ca -0.08 0.63 -0.24 0.00 0.00 0.00 0.00 46.02 46.33 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 3.03 -0.18 0.99 2.01 -1.26 -5.12 118.68 118.15 1r4y s LEU 9 Ca 0.00 -0.71 -0.03 0.00 0.01 0.00 0.00 54.13 53.39 1r4y s LEU 9 Cb 0.00 -1.58 -0.02 0.00 0.01 0.00 0.00 46.19 44.60 1r4y s LEU 9 CO 0.00 0.03 -0.05 -0.76 1.01 0.00 0.00 176.35 176.58 1r4y s LEU 10 N -3.50 3.04 -0.31 1.79 2.01 -1.26 -2.65 118.68 117.80 1r4y s LEU 10 Ca 0.30 -0.27 0.01 0.00 0.01 0.00 0.00 54.13 54.18 1r4y s LEU 10 Cb -0.07 -1.75 0.07 0.00 0.01 0.00 0.00 46.19 44.46 1r4y s LEU 10 CO 0.18 0.08 0.01 -0.31 1.01 0.00 0.00 176.35 177.32 1r4y s TYR 11 N 0.89 3.41 0.15 0.29 2.02 0.15 -4.61 117.35 119.66 1r4y s TYR 11 Ca -0.01 -2.30 -0.32 0.00 -0.37 0.00 0.00 57.07 54.07 1r4y s TYR 11 Cb -0.15 -2.37 -0.12 0.00 -0.40 0.00 0.00 41.96 38.93 1r4y s TYR 11 CO 0.01 -0.88 1.75 -1.71 -1.57 0.00 0.00 175.55 173.15 1r4y n ASN 12 N 4.49 3.82 -0.23 2.29 4.05 -1.26 -0.20 115.26 128.22 1r4y n ASN 12 Ca -0.09 1.03 0.00 0.00 0.45 0.00 0.00 54.58 55.98 1r4y n ASN 12 Cb 0.42 -1.53 0.12 0.00 1.23 0.00 0.00 39.78 40.03 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 7.37 0.54 -0.52 1.20 5.75 -0.94 0.12 115.11 128.63 1r4y h GLN 13 Ca -0.45 -0.03 0.15 0.00 -0.15 0.00 0.00 58.65 58.17 1r4y h GLN 13 Cb 1.22 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 1r4y h GLN 13 CO 0.94 0.36 0.53 -0.97 -2.65 0.00 0.00 178.83 177.04 1r4y h ASN 14 N 0.56 0.00 0.16 -0.69 -0.73 -1.90 0.20 115.58 113.18 1r4y h ASN 14 Ca 0.33 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 58.18 1r4y h ASN 14 Cb 0.34 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.94 1r4y h ASN 14 CO -0.26 0.00 -1.57 0.11 -0.37 0.00 0.00 177.43 175.34 1r4y h LYS 15 N 0.00 0.34 0.33 6.67 1.57 -1.21 -3.06 116.57 121.21 1r4y h LYS 15 Ca 0.25 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1r4y h LYS 15 Cb 1.30 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 1r4y h LYS 15 CO -0.00 1.28 -0.37 0.00 -0.57 0.00 0.00 179.45 179.79 1r4y h ALA 16 N 0.05 -1.02 -0.68 3.86 0.00 0.11 0.72 119.26 122.29 1r4y h ALA 16 Ca -0.32 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.50 1r4y h ALA 16 Cb 1.95 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 20.31 1r4y h ALA 16 CO 0.13 -1.05 0.41 1.05 0.00 0.00 0.00 179.25 179.79 1r4y h GLU 17 N -0.71 0.77 0.00 0.00 4.11 -1.48 -0.70 114.58 116.57 1r4y h GLU 17 Ca -0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 1r4y h GLU 17 Cb 0.62 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1r4y h GLU 17 CO -0.06 0.51 -0.03 1.03 0.07 0.00 0.00 179.01 180.52 1r4y h SER 18 N 0.79 0.00 0.28 3.06 0.87 -1.40 0.11 113.55 117.26 1r4y h SER 18 Ca 0.28 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1r4y h SER 18 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1r4y h SER 18 CO -0.13 0.03 -0.13 -1.13 -0.53 0.00 0.00 176.83 174.94 1r4y h ASN 19 N 0.00 -0.31 0.19 6.23 -0.00 0.20 -3.10 115.58 118.78 1r4y h ASN 19 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.31 1r4y h ASN 19 Cb 0.12 0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.52 1r4y h ASN 19 CO 0.00 -0.06 0.00 -1.28 -0.00 0.00 0.00 177.43 176.10 1r4y h SER 20 N -0.71 0.00 0.15 1.15 0.87 -1.34 -2.59 113.55 111.08 1r4y h SER 20 Ca -0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1r4y h SER 20 Cb 0.28 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1r4y h SER 20 CO 0.06 0.00 -0.10 0.45 -0.53 0.00 0.00 176.83 176.71 1r4y h HIS 21 N 0.00 -0.25 -0.06 2.24 3.86 -0.70 -3.14 115.15 117.10 1r4y h HIS 21 Ca 0.00 -0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.98 1r4y h HIS 21 Cb 0.09 0.09 0.02 0.00 1.06 0.00 0.00 27.41 28.67 1r4y h HIS 21 CO 0.00 -0.16 -0.85 0.45 0.86 0.00 0.00 177.93 178.24 1r4y h HIS 22 N -0.25 0.96 -1.29 2.45 3.86 -1.51 -3.46 115.15 115.91 1r4y h HIS 22 Ca -0.01 -0.48 -0.73 0.00 -1.16 0.00 0.00 60.37 57.98 1r4y h HIS 22 Cb 0.21 -0.12 0.06 0.00 1.06 0.00 0.00 27.41 28.61 1r4y h HIS 22 CO -0.09 1.31 0.14 0.00 0.86 0.00 0.00 177.93 180.15 1r4y n ALA 23 N -2.62 -2.55 -2.24 2.45 0.00 -1.07 -4.85 120.51 109.63 1r4y n ALA 23 Ca -0.10 0.55 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 1r4y n ALA 23 Cb 0.78 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.01 4.27 -0.61 0.00 0.04 -1.26 -4.89 135.00 132.54 1r4y s PRO 24 Ca 0.85 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 63.56 1r4y s PRO 24 Cb -1.11 -3.66 -0.08 0.00 0.04 0.00 0.00 34.50 29.69 1r4y s PRO 24 CO 0.54 -0.63 2.34 -1.17 0.04 0.00 0.00 177.00 178.12 1r4y s LEU 25 N 2.79 3.23 0.00 -3.56 2.96 -1.26 -4.64 118.68 118.19 1r4y s LEU 25 Ca 0.63 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 1r4y s LEU 25 Cb -0.30 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 43.87 1r4y s LEU 25 CO 0.25 -3.13 0.00 -1.20 -1.32 0.00 0.00 176.35 170.95 1r4y n SER 26 N 16.38 0.00 -4.54 3.68 7.64 -1.26 -5.05 113.62 130.46 1r4y n SER 26 Ca 0.38 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.89 1r4y n SER 26 Cb 0.51 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 1r4y n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1r4y s ASP 27 N 0.00 5.65 -0.86 6.43 2.15 -1.26 -4.08 116.67 124.69 1r4y s ASP 27 Ca 0.00 -0.07 -0.05 0.00 0.43 0.00 0.00 52.55 52.86 1r4y s ASP 27 Cb 0.00 -2.03 -0.00 0.00 -0.30 0.00 0.00 42.92 40.59 1r4y s ASP 27 CO 0.00 -0.01 0.67 0.61 -0.17 0.00 0.00 175.17 176.27 1r4y n GLY 28 N 4.81 -1.22 1.20 2.66 0.00 -0.90 -4.72 105.19 107.01 1r4y n GLY 28 Ca -0.15 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.69 0.00 -4.24 1.61 5.02 -1.25 -5.08 118.16 111.52 1r4y n LYS 29 Ca -0.17 -1.49 -0.21 0.00 -2.02 0.00 0.00 58.31 54.42 1r4y n LYS 29 Cb 0.61 0.10 -0.12 0.00 -0.02 0.00 0.00 35.03 35.60 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 0.00 1.47 0.18 -0.18 -4.23 -1.26 -5.04 115.64 106.57 1r4y s THR 30 Ca 0.19 -1.51 -0.27 0.00 -1.18 0.00 0.00 61.69 58.91 1r4y s THR 30 Cb 0.21 -1.41 0.02 0.00 1.34 0.00 0.00 72.50 72.67 1r4y s THR 30 CO -0.09 -0.18 1.54 1.23 -0.54 0.00 0.00 174.62 176.58 1r4y h GLY 31 N 4.01 -0.57 0.00 3.99 0.00 -1.37 -2.83 103.07 106.30 1r4y h GLY 31 Ca -0.43 0.71 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1r4y h GLY 31 CO 0.42 -0.03 0.00 -1.26 0.00 0.00 0.00 176.54 175.67 1r4y n SER 32 N -5.32 0.00 0.00 0.19 2.88 0.21 -4.01 113.62 107.58 1r4y n SER 32 Ca 0.04 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1r4y n SER 32 Cb 0.30 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.60 0.00 -4.77 -3.46 3.41 -1.07 -5.00 113.62 101.13 1r4y n SER 33 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1r4y n SER 33 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 2.77 0.81 7.33 1.51 -1.26 -3.84 117.35 124.66 1r4y s TYR 34 Ca 0.00 1.53 -0.12 0.00 -1.01 0.00 0.00 57.07 57.47 1r4y s TYR 34 Cb 0.00 -3.39 0.07 0.00 -0.11 0.00 0.00 41.96 38.53 1r4y s TYR 34 CO 0.00 -1.65 1.10 -1.25 -1.11 0.00 0.00 175.55 172.64 1r4y s PRO 35 N -2.87 2.02 0.23 -1.71 0.04 -1.26 -4.72 135.00 126.73 1r4y s PRO 35 Ca 0.67 0.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 1r4y s PRO 35 Cb -0.28 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1r4y s PRO 35 CO 0.34 -1.65 0.20 -3.38 0.04 0.00 0.00 177.00 172.55 1r4y s HIS 36 N -3.20 1.17 0.04 0.56 -3.43 -1.10 -2.12 115.29 107.22 1r4y s HIS 36 Ca 0.61 -1.36 -0.31 0.00 -0.80 0.00 0.00 55.06 53.21 1r4y s HIS 36 Cb -0.14 -0.49 -0.06 0.00 -1.43 0.00 0.00 32.58 30.46 1r4y s HIS 36 CO 0.54 -0.73 1.30 -0.46 -2.00 0.00 0.00 174.74 173.39 1r4y s TRP 37 N -3.99 3.20 -0.96 0.38 -0.00 -1.26 -2.04 118.94 114.27 1r4y s TRP 37 Ca 0.37 1.08 -0.13 0.00 -0.00 0.00 0.00 56.10 57.42 1r4y s TRP 37 Cb 0.05 -3.55 0.23 0.00 -0.00 0.00 0.00 33.47 30.20 1r4y s TRP 37 CO 0.15 -1.87 0.96 0.12 -0.00 0.00 0.00 176.95 176.31 1r4y s PHE 38 N 1.58 3.86 0.49 5.86 5.36 0.12 -4.79 117.98 130.46 1r4y s PHE 38 Ca 0.61 -2.18 0.40 0.00 -0.96 0.00 0.00 56.93 54.81 1r4y s PHE 38 Cb -0.31 -3.90 1.60 0.00 -0.34 0.00 0.00 43.02 40.06 1r4y s PHE 38 CO 0.28 -1.05 1.58 1.79 -1.46 0.00 0.00 175.22 176.36 1r4y h THR 39 N 4.51 0.02 0.00 0.12 1.35 -1.90 -3.38 112.91 113.62 1r4y h THR 39 Ca 0.15 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1r4y h THR 39 Cb 0.97 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 1r4y h THR 39 CO 0.90 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 172.98 1r4y n ASN 40 N -4.39 -2.79 0.00 5.36 5.15 -1.26 -1.49 115.26 115.84 1r4y n ASN 40 Ca 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1r4y n ASN 40 Cb 1.75 -1.90 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 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 -1.24 1.49 2.52 8.20 0.00 -1.26 -3.67 105.19 111.24 1r4y n GLY 41 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.15 -2.83 -0.11 1.61 4.02 -0.55 -4.31 117.16 114.84 1r4y n TYR 42 Ca 0.00 -0.34 -0.15 0.00 -0.01 0.00 0.00 57.90 57.40 1r4y n TYR 42 Cb 0.00 -1.06 -0.10 0.00 -0.02 0.00 0.00 39.34 38.16 1r4y n TYR 42 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1r4y n ASP 43 N -3.25 2.32 0.06 7.72 9.92 0.20 -4.76 116.55 128.76 1r4y n ASP 43 Ca 0.08 -0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1r4y n ASP 43 Cb 0.36 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 1r4y n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r4y n GLY 44 N 2.44 -1.63 0.00 0.44 0.00 -1.26 -5.07 105.19 100.10 1r4y n GLY 44 Ca -0.38 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.94 0.00 -1.42 1.61 9.92 -1.26 -2.01 116.55 120.45 1r4y n ASP 45 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 1r4y n ASP 45 Cb 0.00 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 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 3.86 1.23 3.24 0.44 0.00 -1.26 -3.20 105.19 109.50 1r4y n GLY 46 Ca 0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 1r4y n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4y s LYS 47 N -0.19 1.05 0.28 1.61 1.02 -1.26 -4.96 119.74 117.29 1r4y s LYS 47 Ca 0.33 -1.06 0.10 0.00 0.02 0.00 0.00 55.97 55.37 1r4y s LYS 47 Cb 0.38 -1.22 -0.05 0.00 -0.52 0.00 0.00 37.83 36.42 1r4y s LYS 47 CO -0.16 0.29 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.99 1r4y s LEU 48 N -1.74 2.99 0.73 3.17 1.43 -1.26 0.60 118.68 124.60 1r4y s LEU 48 Ca 0.04 -0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 52.22 1r4y s LEU 48 Cb -0.10 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.66 1r4y s LEU 48 CO 0.03 -0.01 1.11 -2.16 0.23 0.00 0.00 176.35 175.55 1r4y s PRO 49 N -3.63 2.43 -0.59 1.29 0.04 -1.26 -4.86 135.00 128.42 1r4y s PRO 49 Ca 0.31 1.31 -0.32 0.00 0.04 0.00 0.00 61.00 62.34 1r4y s PRO 49 Cb -0.05 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.44 1r4y s PRO 49 CO 0.18 -1.53 2.40 1.17 0.04 0.00 0.00 177.00 179.27 1r4y n LYS 50 N -3.03 0.67 -1.44 4.56 4.81 -1.26 -3.14 118.16 119.32 1r4y n LYS 50 Ca 0.10 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1r4y n LYS 50 Cb 0.52 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.21 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 6.46 -2.30 3.27 3.14 0.00 -1.26 -5.14 105.19 109.36 1r4y n GLY 51 Ca 0.49 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 1r4y n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1r4y s ARG 52 N -0.20 0.86 -0.27 1.61 3.00 -1.19 -5.15 118.95 117.61 1r4y s ARG 52 Ca 0.00 -0.51 -0.04 0.00 -1.00 0.00 0.00 55.73 54.18 1r4y s ARG 52 Cb 0.00 0.37 0.09 0.00 0.00 0.00 0.00 34.95 35.42 1r4y s ARG 52 CO 0.00 -0.29 0.12 0.99 0.00 0.00 0.00 175.30 176.12 1r4y s THR 53 N -2.70 0.05 0.67 4.11 2.01 -1.26 -5.02 115.64 113.50 1r4y s THR 53 Ca -0.04 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 1r4y s THR 53 Cb -0.00 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.51 1r4y s THR 53 CO -0.04 -0.65 1.16 -2.16 -0.69 0.00 0.00 174.62 172.24 1r4y s PRO 54 N 2.04 2.60 0.09 4.92 0.04 -1.26 -4.92 135.00 138.51 1r4y s PRO 54 Ca 0.08 1.60 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 1r4y s PRO 54 Cb -0.16 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1r4y s PRO 54 CO -0.31 -1.45 1.53 0.42 0.04 0.00 0.00 177.00 177.23 1r4y s ILE 55 N -2.08 3.13 -0.10 0.56 1.01 -1.24 -4.98 121.20 117.49 1r4y s ILE 55 Ca 0.71 0.69 -0.14 0.00 0.00 0.00 0.00 60.65 61.92 1r4y s ILE 55 Cb -0.25 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 1r4y s ILE 55 CO 0.41 0.02 0.33 -0.75 0.00 0.00 0.00 174.94 174.95 1r4y s LYS 56 N 1.90 4.05 0.05 2.79 2.36 -1.26 -4.97 119.74 124.66 1r4y s LYS 56 Ca 0.69 0.20 -0.00 0.00 -2.55 0.00 0.00 55.97 54.30 1r4y s LYS 56 Cb -0.38 -3.33 -0.00 0.00 -1.05 0.00 0.00 37.83 33.06 1r4y s LYS 56 CO 0.30 0.44 -0.01 1.19 1.55 0.00 0.00 175.35 178.83 1r4y n PHE 57 N 2.83 0.00 0.00 4.03 3.01 -1.26 -4.94 117.46 121.13 1r4y n PHE 57 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1r4y n PHE 57 Cb 0.52 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 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 3.23 1.11 3.49 1.37 0.00 -1.26 -5.14 105.19 107.99 1r4y n GLY 58 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.82 -0.22 1.61 -0.14 -1.26 -4.99 119.74 112.93 1r4y s LYS 59 Ca 0.00 0.05 -0.07 0.00 -1.36 0.00 0.00 55.97 54.58 1r4y s LYS 59 Cb 0.00 -1.52 -0.11 0.00 -1.68 0.00 0.00 37.83 34.53 1r4y s LYS 59 CO 0.00 -4.13 -0.25 -1.13 -0.76 0.00 0.00 175.35 169.08 1r4y n SER 60 N -5.08 1.79 0.07 2.83 3.41 -1.26 -3.87 113.62 111.51 1r4y n SER 60 Ca 0.12 0.16 -0.21 0.00 -0.26 0.00 0.00 58.87 58.68 1r4y n SER 60 Cb 0.59 -0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 63.86 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1r4y h ASP 61 N -0.57 0.81 1.24 4.04 5.19 -1.96 -0.15 116.42 125.02 1r4y h ASP 61 Ca -0.53 -0.81 0.00 0.00 -0.62 0.00 0.00 57.03 55.07 1r4y h ASP 61 Cb 1.55 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1r4y h ASP 61 CO -0.26 1.53 0.00 0.00 -3.12 0.00 0.00 179.24 177.39 1r4y h ASP 63 N 0.00 0.44 -3.36 0.00 3.58 -1.66 -3.48 116.42 111.94 1r4y h ASP 63 Ca 0.00 -0.79 -0.49 0.00 0.42 0.00 0.00 57.03 56.17 1r4y h ASP 63 Cb 0.62 -0.14 0.22 0.00 1.72 0.00 0.00 39.33 41.74 1r4y h ASP 63 CO 0.00 1.69 -0.37 -2.11 -2.88 0.00 0.00 179.24 175.57 1r4y n ARG 64 N -3.47 -1.05 -2.28 0.28 1.85 -0.07 -4.93 116.66 106.98 1r4y n ARG 64 Ca -0.25 -0.27 -0.41 0.00 -1.00 0.00 0.00 57.85 55.92 1r4y n ARG 64 Cb 1.06 -2.02 -0.03 0.00 -1.05 0.00 0.00 32.46 30.42 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 -4.01 4.48 1.18 2.89 0.04 -1.26 -4.97 135.00 133.35 1r4y s PRO 65 Ca 0.62 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 63.49 1r4y s PRO 65 Cb -0.21 -3.15 0.27 0.00 0.04 0.00 0.00 34.50 31.46 1r4y s PRO 65 CO 0.64 -0.04 1.08 -1.25 0.04 0.00 0.00 177.00 177.47 1r4y s PRO 66 N -1.28 -1.02 -0.38 0.56 0.04 -1.19 -4.88 135.00 126.85 1r4y s PRO 66 Ca 0.49 0.16 0.13 0.00 0.04 0.00 0.00 61.00 61.81 1r4y s PRO 66 Cb -0.36 -1.60 0.39 0.00 0.04 0.00 0.00 34.50 32.97 1r4y s PRO 66 CO 0.45 -3.62 0.84 1.17 0.04 0.00 0.00 177.00 175.88 1r4y n LYS 67 N -4.74 1.38 -1.72 4.56 3.00 -1.26 -4.08 118.16 115.31 1r4y n LYS 67 Ca 0.10 -3.54 -0.30 0.00 -0.00 0.00 0.00 58.31 54.57 1r4y n LYS 67 Cb 0.59 -1.64 0.07 0.00 0.00 0.00 0.00 35.03 34.05 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 -2.81 3.05 0.00 5.64 5.65 -0.85 -4.41 115.29 121.56 1r4y s HIS 68 Ca 0.37 1.07 0.00 0.00 0.25 0.00 0.00 55.06 56.76 1r4y s HIS 68 Cb 0.38 -3.13 0.00 0.00 -1.18 0.00 0.00 32.58 28.66 1r4y s HIS 68 CO -0.05 -1.52 0.00 0.45 -0.65 0.00 0.00 174.74 172.97 1r4y n SER 69 N -3.24 0.00 -4.06 9.88 2.88 -1.26 -4.38 113.62 113.44 1r4y n SER 69 Ca 0.07 -0.56 -0.43 0.00 -1.33 0.00 0.00 58.87 56.62 1r4y n SER 69 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 3.22 0.00 -1.46 4.76 -1.26 -3.75 118.16 119.67 1r4y n LYS 70 Ca 0.00 -3.19 0.00 0.00 -2.87 0.00 0.00 58.31 52.25 1r4y n LYS 70 Cb 0.00 -3.19 0.00 0.00 -1.84 0.00 0.00 35.03 30.00 1r4y n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1r4y n ASP 71 N 5.89 0.00 0.00 4.39 9.92 -1.26 -5.04 116.55 130.45 1r4y n ASP 71 Ca 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.72 1r4y n ASP 71 Cb 0.40 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r4y n GLY 72 N -0.80 3.38 2.69 0.44 0.00 -1.25 -4.78 105.19 104.88 1r4y n GLY 72 Ca 0.00 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 1r4y n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r4y s ASN 73 N 0.00 0.70 0.00 1.61 2.47 -1.26 -4.58 114.94 113.88 1r4y s ASN 73 Ca 0.00 -1.93 0.00 0.00 0.42 0.00 0.00 52.86 51.35 1r4y s ASN 73 Cb 0.00 0.60 0.00 0.00 -1.45 0.00 0.00 41.25 40.40 1r4y s ASN 73 CO 0.00 -0.20 0.00 0.61 -3.72 0.00 0.00 177.10 173.79 1r4y n GLY 74 N 3.70 -1.89 0.00 1.21 0.00 -1.26 -4.89 105.19 102.07 1r4y n GLY 74 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.36 1.61 5.02 -1.26 -4.68 118.16 118.49 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 -0.13 0.23 0.00 -0.02 0.00 0.00 35.03 35.11 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 1.82 -0.64 -0.18 5.66 -1.26 -5.04 114.28 114.65 1r4y n THR 76 Ca 0.00 -1.54 -0.23 0.00 -3.05 0.00 0.00 64.05 59.23 1r4y n THR 76 Cb 0.00 0.02 -0.06 0.00 -1.55 0.00 0.00 70.33 68.74 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 -0.09 0.24 -0.82 1.09 9.92 -1.26 -4.71 116.55 120.92 1r4y n ASP 77 Ca 0.18 0.20 0.03 0.00 -0.53 0.00 0.00 54.79 54.67 1r4y n ASP 77 Cb 0.73 -0.42 0.14 0.00 -0.64 0.00 0.00 41.12 40.93 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 4.17 0.61 -1.18 1.24 1.44 -1.26 -4.68 115.22 115.55 1r4y n HIS 78 Ca 0.28 -0.23 -0.44 0.00 -2.01 0.00 0.00 57.72 55.32 1r4y n HIS 78 Cb -0.00 -0.16 -0.05 0.00 0.12 0.00 0.00 29.99 29.90 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 0.25 0.13 -2.29 -1.40 4.11 -1.26 -3.20 117.16 113.50 1r4y n TYR 79 Ca 0.10 0.83 -0.33 0.00 -0.00 0.00 0.00 57.90 58.50 1r4y n TYR 79 Cb 0.46 -1.65 -0.02 0.00 -0.00 0.00 0.00 39.34 38.13 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 1.04 3.62 -0.01 -3.48 1.43 -1.26 -2.86 118.68 117.16 1r4y s LEU 80 Ca 0.64 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1r4y s LEU 80 Cb -0.91 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 40.78 1r4y s LEU 80 CO 0.46 -0.86 0.01 -0.76 0.23 0.00 0.00 176.35 175.43 1r4y s LEU 81 N -4.13 1.88 0.15 1.79 1.02 -0.61 0.14 118.68 118.92 1r4y s LEU 81 Ca 0.62 0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.85 1r4y s LEU 81 Cb -0.14 0.03 -0.04 0.00 0.02 0.00 0.00 46.19 46.06 1r4y s LEU 81 CO 0.31 -0.02 0.12 -1.83 0.02 0.00 0.00 176.35 174.96 1r4y s GLU 82 N 0.11 2.88 -0.05 1.70 1.03 -0.86 -2.99 118.70 120.52 1r4y s GLU 82 Ca -0.01 -0.85 -0.02 0.00 0.03 0.00 0.00 54.97 54.12 1r4y s GLU 82 Cb -0.01 -2.65 0.04 0.00 -0.80 0.00 0.00 34.13 30.70 1r4y s GLU 82 CO -0.00 0.50 0.10 0.12 -1.33 0.00 0.00 175.26 174.64 1r4y s PHE 83 N -1.70 -0.07 -0.55 4.83 5.36 -0.80 -2.72 117.98 122.34 1r4y s PHE 83 Ca 0.31 0.36 -0.28 0.00 -0.96 0.00 0.00 56.93 56.36 1r4y s PHE 83 Cb -0.10 -0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.34 1r4y s PHE 83 CO 0.23 -0.17 1.56 -1.25 -1.46 0.00 0.00 175.22 174.13 1r4y s PRO 84 N 1.53 3.15 -0.26 10.12 0.04 -1.26 -0.98 135.00 147.34 1r4y s PRO 84 Ca -0.04 0.60 -0.08 0.00 0.04 0.00 0.00 61.00 61.51 1r4y s PRO 84 Cb -0.12 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.19 1r4y s PRO 84 CO -0.04 -2.11 0.11 -0.08 0.04 0.00 0.00 177.00 174.91 1r4y s THR 85 N 6.83 4.60 0.57 1.26 -1.32 -1.18 -4.75 115.64 121.65 1r4y s THR 85 Ca 0.59 -0.10 -0.11 0.00 -1.21 0.00 0.00 61.69 60.85 1r4y s THR 85 Cb -0.13 -3.18 -0.05 0.00 -1.51 0.00 0.00 72.50 67.64 1r4y s THR 85 CO 0.25 0.29 0.98 -0.36 -2.21 0.00 0.00 174.62 173.57 1r4y s PHE 86 N 1.65 3.58 0.04 9.09 0.08 -1.26 -4.78 117.98 126.39 1r4y s PHE 86 Ca 0.06 1.25 -0.17 0.00 0.12 0.00 0.00 56.93 58.20 1r4y s PHE 86 Cb -0.15 -2.67 -0.21 0.00 -0.57 0.00 0.00 43.02 39.42 1r4y s PHE 86 CO 0.06 -0.56 1.19 -1.00 -0.10 0.00 0.00 175.22 174.81 1r4y h PRO 87 N 0.03 0.56 -1.28 0.24 0.13 -1.94 -3.18 132.00 126.56 1r4y h PRO 87 Ca -0.45 -0.53 0.46 0.00 -0.87 0.00 0.00 66.00 64.60 1r4y h PRO 87 Cb 1.19 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 32.31 1r4y h PRO 87 CO 0.62 1.16 0.80 0.22 -0.23 0.00 0.00 178.00 180.57 1r4y h ASP 88 N 0.16 0.24 0.00 1.44 3.58 -1.95 -3.45 116.42 116.44 1r4y h ASP 88 Ca -0.07 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1r4y h ASP 88 Cb 1.36 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.59 1r4y h ASP 88 CO 0.14 -0.29 0.00 0.61 -2.88 0.00 0.00 179.24 176.82 1r4y n GLY 89 N -1.46 0.53 3.70 -0.78 0.00 -1.20 -5.05 105.19 100.93 1r4y n GLY 89 Ca 0.39 0.00 -0.42 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 -2.23 2.68 -0.33 1.61 -3.43 -1.26 -4.91 115.29 107.42 1r4y s HIS 90 Ca 0.00 0.48 -0.27 0.00 -0.80 0.00 0.00 55.06 54.47 1r4y s HIS 90 Cb 0.00 -3.91 -0.06 0.00 -1.43 0.00 0.00 32.58 27.18 1r4y s HIS 90 CO 0.00 -3.54 2.31 -3.47 -2.00 0.00 0.00 174.74 168.04 1r4y n ASP 91 N 5.03 2.85 -4.18 7.38 -0.08 -1.26 -4.56 116.55 121.73 1r4y n ASP 91 Ca 0.15 -0.08 -0.46 0.00 -1.51 0.00 0.00 54.79 52.89 1r4y n ASP 91 Cb 0.40 -1.56 -0.03 0.00 2.34 0.00 0.00 41.12 42.27 1r4y n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r4y n TYR 92 N 13.35 -0.46 -0.99 -0.67 9.36 -1.26 -4.80 117.16 131.69 1r4y n TYR 92 Ca 0.33 0.92 -0.27 0.00 3.32 0.00 0.00 57.90 62.20 1r4y n TYR 92 Cb 0.48 -1.86 -0.04 0.00 -0.63 0.00 0.00 39.34 37.29 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 0.95 2.70 0.12 2.98 2.85 -1.26 -4.48 118.16 122.03 1r4y n LYS 93 Ca 0.17 -1.67 0.12 0.00 -1.05 0.00 0.00 58.31 55.88 1r4y n LYS 93 Cb 0.24 -2.51 0.47 0.00 -0.65 0.00 0.00 35.03 32.57 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 3.69 0.84 0.02 5.58 1.16 -1.26 -3.34 117.46 124.14 1r4y n PHE 94 Ca 0.58 0.30 -0.18 0.00 -1.87 0.00 0.00 57.45 56.27 1r4y n PHE 94 Cb 0.26 -0.99 -0.14 0.00 -1.61 0.00 0.00 39.48 37.01 1r4y n PHE 94 CO 0.00 0.00 0.00 0.22 -1.87 0.00 0.00 176.76 175.11 1r4y h ASP 95 N 0.00 0.35 -3.29 5.98 3.58 -1.89 0.81 116.42 121.96 1r4y h ASP 95 Ca 0.00 -0.69 -0.55 0.00 0.42 0.00 0.00 57.03 56.21 1r4y h ASP 95 Cb 0.48 -0.11 -0.07 0.00 1.72 0.00 0.00 39.33 41.34 1r4y h ASP 95 CO 0.00 1.61 0.97 -0.44 -2.88 0.00 0.00 179.24 178.50 1r4y s SER 96 N -6.86 6.48 0.13 2.28 0.01 -1.21 -3.35 113.70 111.18 1r4y s SER 96 Ca -0.16 0.19 -0.19 0.00 1.31 0.00 0.00 55.95 57.10 1r4y s SER 96 Cb 0.07 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 1r4y s SER 96 CO 0.80 -1.44 1.75 0.07 0.41 0.00 0.00 173.24 174.83 1r4y h LYS 97 N 9.52 0.19 -3.77 12.44 2.10 -1.84 -3.34 116.57 131.87 1r4y h LYS 97 Ca -0.25 -0.01 -0.34 0.00 -2.00 0.00 0.00 60.65 58.05 1r4y h LYS 97 Cb 1.06 -0.04 -0.34 0.00 -0.90 0.00 0.00 32.23 32.01 1r4y h LYS 97 CO 1.18 0.13 -0.75 0.21 -2.00 0.00 0.00 179.45 178.21 1r4y s LYS 98 N -6.18 0.34 1.15 0.07 2.36 -1.26 -3.86 119.74 112.37 1r4y s LYS 98 Ca -0.13 0.04 -0.17 0.00 -2.55 0.00 0.00 55.97 53.17 1r4y s LYS 98 Cb 0.10 -0.49 0.26 0.00 -1.05 0.00 0.00 37.83 36.65 1r4y s LYS 98 CO 0.70 -0.11 1.08 -1.25 1.55 0.00 0.00 175.35 177.32 1r4y s PRO 99 N 0.92 -0.80 -0.09 4.03 0.04 -1.26 -5.16 135.00 132.68 1r4y s PRO 99 Ca -0.09 0.20 -0.03 0.00 0.04 0.00 0.00 61.00 61.12 1r4y s PRO 99 Cb -0.13 -1.62 0.04 0.00 0.04 0.00 0.00 34.50 32.83 1r4y s PRO 99 CO -0.01 -3.49 0.06 0.21 0.04 0.00 0.00 177.00 173.81 1r4y s LYS 100 N -5.16 0.10 0.94 4.56 2.20 -1.25 -4.78 119.74 116.35 1r4y s LYS 100 Ca 0.69 0.18 -0.12 0.00 -0.36 0.00 0.00 55.97 56.36 1r4y s LYS 100 Cb -0.14 -1.00 0.16 0.00 -1.51 0.00 0.00 37.83 35.34 1r4y s LYS 100 CO 0.57 -0.43 1.09 -2.00 -0.36 0.00 0.00 175.35 174.23 1r4y s GLU 101 N 2.12 0.87 0.67 4.03 2.56 -1.26 -5.00 118.70 122.70 1r4y s GLU 101 Ca 0.04 0.66 -0.17 0.00 0.00 0.00 0.00 54.97 55.50 1r4y s GLU 101 Cb -0.13 -1.78 -0.12 0.00 2.00 0.00 0.00 34.13 34.10 1r4y s GLU 101 CO -0.05 -2.46 -0.13 -1.71 -0.56 0.00 0.00 175.26 170.34 1r4y n ASN 102 N -4.01 -3.64 0.00 -1.70 5.15 -1.26 -4.99 115.26 104.80 1r4y n ASN 102 Ca 0.06 0.53 0.00 0.00 -0.60 0.00 0.00 54.58 54.57 1r4y n ASN 102 Cb 0.56 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 1r4y n ASN 102 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r4y n PRO 103 N 1.22 0.00 0.00 1.20 -0.04 -1.26 -5.01 135.00 131.12 1r4y n PRO 103 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1r4y n PRO 103 Cb 0.50 -0.48 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 1r4y n PRO 103 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r4y n GLY 104 N 1.63 4.59 0.02 0.55 0.00 -1.26 -4.81 105.19 105.91 1r4y n GLY 104 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 1r4y n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r4y h PRO 105 N 0.00 -0.04 -6.86 1.61 0.13 -1.94 -3.46 132.00 121.45 1r4y h PRO 105 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1r4y h PRO 105 Cb 0.00 0.01 0.06 0.00 0.13 0.00 0.00 31.00 31.19 1r4y h PRO 105 CO 0.00 -0.03 0.61 0.00 -0.23 0.00 0.00 178.00 178.36 1r4y s ALA 106 N -3.05 3.49 -0.01 -0.56 0.00 -1.26 -4.45 121.76 115.92 1r4y s ALA 106 Ca -0.01 1.19 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 1r4y s ALA 106 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1r4y s ALA 106 CO 0.02 -0.55 0.05 1.03 0.00 0.00 0.00 175.76 176.31 1r4y s ARG 107 N -1.64 0.21 -0.13 0.00 0.52 -0.34 -3.10 118.95 114.47 1r4y s ARG 107 Ca 0.49 -0.17 -0.28 0.00 -0.52 0.00 0.00 55.73 55.24 1r4y s ARG 107 Cb -0.38 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.16 1r4y s ARG 107 CO 0.50 -0.04 0.94 0.54 0.02 0.00 0.00 175.30 177.27 1r4y s VAL 108 N -0.60 4.82 -0.07 3.52 0.11 -0.15 -1.63 120.40 126.39 1r4y s VAL 108 Ca -0.07 1.90 -0.02 0.00 -2.93 0.00 0.00 61.98 60.86 1r4y s VAL 108 Cb -0.04 -4.25 -0.04 0.00 -1.53 0.00 0.00 36.38 30.52 1r4y s VAL 108 CO 0.00 0.01 0.03 -0.63 -3.33 0.00 0.00 175.10 171.19 1r4y s ILE 109 N 2.06 4.55 -0.07 7.04 -1.09 -0.90 -1.90 121.20 130.89 1r4y s ILE 109 Ca 0.45 -0.23 -0.30 0.00 -2.23 0.00 0.00 60.65 58.34 1r4y s ILE 109 Cb -0.18 -2.96 0.10 0.00 -1.58 0.00 0.00 42.46 37.85 1r4y s ILE 109 CO 0.16 0.55 0.85 -0.72 -1.23 0.00 0.00 174.94 174.55 1r4y s TYR 110 N -0.97 -0.46 0.56 3.97 -0.85 -1.16 -0.95 117.35 117.49 1r4y s TYR 110 Ca 0.15 0.67 -0.04 0.00 -0.52 0.00 0.00 57.07 57.33 1r4y s TYR 110 Cb -0.12 0.47 0.01 0.00 0.38 0.00 0.00 41.96 42.70 1r4y s TYR 110 CO 0.05 -0.50 0.84 0.95 -1.52 0.00 0.00 175.55 175.37 1r4y s THR 111 N -1.77 3.49 0.20 -3.49 -4.23 -1.22 -1.57 115.64 107.05 1r4y s THR 111 Ca -0.03 -0.22 0.07 0.00 -1.18 0.00 0.00 61.69 60.33 1r4y s THR 111 Cb -0.00 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 70.43 1r4y s THR 111 CO 0.01 -0.33 0.09 -0.47 -0.54 0.00 0.00 174.62 173.38 1r4y s TYR 112 N -2.89 2.99 -0.04 3.99 6.14 -1.13 -3.28 117.35 123.12 1r4y s TYR 112 Ca 0.54 -0.10 -0.23 0.00 0.64 0.00 0.00 57.07 57.91 1r4y s TYR 112 Cb -0.10 -1.40 -0.17 0.00 0.42 0.00 0.00 41.96 40.70 1r4y s TYR 112 CO 0.43 0.53 0.97 -1.00 0.64 0.00 0.00 175.55 177.12 1r4y h PRO 113 N 2.19 -0.18 -6.01 4.97 0.13 -1.84 -3.39 132.00 127.87 1r4y h PRO 113 Ca -0.47 0.01 -0.73 0.00 -0.87 0.00 0.00 66.00 63.94 1r4y h PRO 113 Cb 1.22 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1r4y h PRO 113 CO 0.61 0.28 1.30 -1.71 -0.23 0.00 0.00 178.00 178.24 1r4y n ASN 114 N -4.91 1.54 -4.56 1.44 5.15 -1.26 -4.72 115.26 107.93 1r4y n ASN 114 Ca -0.08 0.62 -0.18 0.00 -0.60 0.00 0.00 54.58 54.34 1r4y n ASN 114 Cb 0.27 -1.08 -0.10 0.00 -0.53 0.00 0.00 39.78 38.34 1r4y n ASN 114 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1r4y n LYS 115 N 7.45 0.51 -1.84 1.20 5.02 -1.22 -4.28 118.16 125.00 1r4y n LYS 115 Ca 0.45 -1.91 -0.41 0.00 -2.02 0.00 0.00 58.31 54.42 1r4y n LYS 115 Cb 0.09 -3.88 -0.02 0.00 -0.02 0.00 0.00 35.03 31.21 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 8.74 3.14 -1.39 -0.18 0.31 -1.21 -4.80 118.33 122.94 1r4y n VAL 116 Ca 0.42 -2.92 -0.52 0.00 -0.01 0.00 0.00 64.34 61.32 1r4y n VAL 116 Cb 0.47 -2.46 -0.09 0.00 -0.91 0.00 0.00 33.84 30.84 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 7.52 1.32 -0.07 3.52 7.35 -1.26 -3.37 117.46 132.47 1r4y n PHE 117 Ca 0.50 0.44 -0.12 0.00 -0.76 0.00 0.00 57.45 57.51 1r4y n PHE 117 Cb 0.41 -2.44 -0.09 0.00 0.35 0.00 0.00 39.48 37.71 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 1.60 -0.86 3.23 0.00 0.00 -1.25 -5.05 105.19 102.85 1r4y n GLY 119 Ca -0.13 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.00 1.49 0.07 -0.61 -1.09 -1.26 -2.13 121.20 113.68 1r4y s ILE 120 Ca 0.00 -1.25 0.04 0.00 -2.23 0.00 0.00 60.65 57.21 1r4y s ILE 120 Cb 0.00 -1.34 -0.03 0.00 -1.58 0.00 0.00 42.46 39.51 1r4y s ILE 120 CO 0.00 0.05 -0.11 0.27 -1.23 0.00 0.00 174.94 173.92 1r4y s ILE 121 N -0.95 0.92 -0.24 2.92 -4.36 -0.65 0.18 121.20 119.03 1r4y s ILE 121 Ca 0.05 -1.36 -0.29 0.00 -0.26 0.00 0.00 60.65 58.78 1r4y s ILE 121 Cb -0.09 -1.06 0.17 0.00 1.25 0.00 0.00 42.46 42.73 1r4y s ILE 121 CO 0.02 -0.37 1.22 0.00 0.24 0.00 0.00 174.94 176.05 1r4y s ALA 122 N -1.69 -2.05 -0.74 2.27 0.00 -0.59 -1.20 121.76 117.77 1r4y s ALA 122 Ca -0.01 1.77 -0.21 0.00 0.00 0.00 0.00 51.96 53.52 1r4y s ALA 122 Cb -0.08 -1.24 0.10 0.00 0.00 0.00 0.00 23.12 21.90 1r4y s ALA 122 CO 0.01 -0.26 0.97 -1.01 0.00 0.00 0.00 175.76 175.47 1r4y s HIS 123 N -0.98 2.89 -0.75 0.00 0.09 -1.26 -3.20 115.29 112.08 1r4y s HIS 123 Ca 0.05 -0.92 -0.01 0.00 -0.00 0.00 0.00 55.06 54.17 1r4y s HIS 123 Cb -0.01 -4.23 0.39 0.00 -0.00 0.00 0.00 32.58 28.73 1r4y s HIS 123 CO -0.05 -1.53 1.96 0.25 -0.00 0.00 0.00 174.74 175.38 1r4y n THR 124 N 5.69 3.52 -0.03 1.30 -2.24 -1.26 -4.25 114.28 117.01 1r4y n THR 124 Ca 0.05 -3.85 0.01 0.00 -2.27 0.00 0.00 64.05 57.99 1r4y n THR 124 Cb 0.46 -1.21 -0.10 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 -0.68 1.14 0.00 -0.78 4.81 -1.26 -5.04 118.16 116.35 1r4y n LYS 125 Ca 0.56 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1r4y n LYS 125 Cb 0.42 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.16 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 -2.18 0.00 0.00 1.64 0.00 -1.26 -5.01 120.64 113.83 1r4y n GLU 126 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.06 1r4y n GLU 126 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 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 -0.96 0.00 -2.87 4.31 6.94 -1.26 -5.02 115.26 116.40 1r4y n ASN 127 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 1r4y n ASN 127 Cb 0.00 0.01 0.01 0.00 -2.36 0.00 0.00 39.78 37.44 1r4y n ASN 127 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1r4y s GLN 128 N -1.75 1.02 0.00 -3.83 0.74 -1.26 -4.85 119.66 109.73 1r4y s GLN 128 Ca 0.00 -0.87 0.00 0.00 0.05 0.00 0.00 55.36 54.54 1r4y s GLN 128 Cb 0.00 -0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.10 1r4y s GLN 128 CO 0.00 -1.30 0.00 0.41 -0.55 0.00 0.00 175.29 173.85 1r4y n GLY 129 N 3.30 1.66 3.81 2.59 0.00 -1.26 -5.11 105.19 110.17 1r4y n GLY 129 Ca 0.16 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 1.90 4.27 0.03 1.61 2.02 -1.26 -4.98 118.70 122.28 1r4y s GLU 130 Ca 0.00 0.82 -0.11 0.00 0.02 0.00 0.00 54.97 55.70 1r4y s GLU 130 Cb 0.00 -3.16 -0.06 0.00 0.10 0.00 0.00 34.13 31.02 1r4y s GLU 130 CO 0.00 0.57 0.37 -1.17 0.02 0.00 0.00 175.26 175.06 1r4y s LEU 131 N -1.34 4.40 0.19 1.80 2.96 -1.26 -4.09 118.68 121.34 1r4y s LEU 131 Ca 0.33 0.82 -0.08 0.00 -0.22 0.00 0.00 54.13 54.99 1r4y s LEU 131 Cb -0.19 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 1r4y s LEU 131 CO 0.21 0.26 0.28 -1.59 -1.32 0.00 0.00 176.35 174.19 1r4y s LYS 132 N -1.49 1.25 0.11 1.98 -2.85 -1.19 -4.91 119.74 112.63 1r4y s LYS 132 Ca 0.27 -1.32 -0.25 0.00 -1.00 0.00 0.00 55.97 53.68 1r4y s LYS 132 Cb -0.15 0.37 -0.07 0.00 -2.06 0.00 0.00 37.83 35.92 1r4y s LYS 132 CO 0.15 -0.46 0.77 -1.17 0.10 0.00 0.00 175.35 174.73 1r4y s LEU 133 N -3.03 4.53 0.00 2.77 2.96 -1.26 -1.54 118.68 123.11 1r4y s LEU 133 Ca 0.24 1.55 -0.18 0.00 -0.22 0.00 0.00 54.13 55.52 1r4y s LEU 133 Cb 0.03 -3.26 0.27 0.00 0.50 0.00 0.00 46.19 43.73 1r4y s LEU 133 CO 0.05 0.13 1.00 0.00 -1.32 0.00 0.00 176.35 176.20 1r4y s SER 135 N -4.25 -1.62 0.00 0.00 1.04 -0.98 -4.81 113.70 103.08 1r4y s SER 135 Ca 0.64 0.19 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1r4y s SER 135 Cb -0.06 2.03 0.00 0.00 0.10 0.00 0.00 66.02 68.09 1r4y s SER 135 CO 0.48 -0.30 0.08 0.00 0.98 0.00 0.00 173.24 174.49