#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 1.90 -2.79 0.00 3.14 -1.26 -3.92 118.33 115.40 1r4y n VAL 2 Ca 0.00 -0.40 -0.43 0.00 -2.96 0.00 0.00 64.34 60.55 1r4y n VAL 2 Cb 0.00 -0.77 -0.04 0.00 -1.06 0.00 0.00 33.84 31.98 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 -1.89 4.57 0.21 1.55 2.01 -1.26 -2.02 115.64 118.81 1r4y s THR 3 Ca 0.66 1.26 -0.29 0.00 0.31 0.00 0.00 61.69 63.63 1r4y s THR 3 Cb -0.35 -4.34 -0.08 0.00 0.01 0.00 0.00 72.50 67.73 1r4y s THR 3 CO 0.57 -0.53 0.89 0.26 -0.69 0.00 0.00 174.62 175.12 1r4y s TRP 4 N 3.50 3.95 -0.02 4.92 0.52 0.23 -4.55 118.94 127.49 1r4y s TRP 4 Ca 0.39 1.83 0.03 0.00 0.02 0.00 0.00 56.10 58.37 1r4y s TRP 4 Cb -0.12 -2.93 -0.01 0.00 -1.15 0.00 0.00 33.47 29.27 1r4y s TRP 4 CO 0.18 0.46 -0.12 0.99 0.02 0.00 0.00 176.95 178.48 1r4y s THR 5 N -1.08 0.95 -0.56 2.01 2.01 -1.26 0.55 115.64 118.26 1r4y s THR 5 Ca 0.40 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 61.97 1r4y s THR 5 Cb -0.25 -0.81 0.33 0.00 0.01 0.00 0.00 72.50 71.78 1r4y s THR 5 CO 0.30 0.28 0.88 0.00 -0.69 0.00 0.00 174.62 175.39 1r4y n GLY 7 N 0.01 -0.33 0.00 0.00 0.00 -1.26 -4.67 105.19 98.95 1r4y n GLY 7 Ca 0.30 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.24 -1.62 3.39 -0.02 0.00 -1.26 -4.97 105.19 98.47 1r4y n GLY 8 Ca -0.27 0.59 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.84 2.44 -0.15 0.99 1.02 -1.26 -5.12 118.68 115.75 1r4y s LEU 9 Ca 0.00 -1.16 -0.21 0.00 0.02 0.00 0.00 54.13 52.78 1r4y s LEU 9 Cb 0.00 -0.56 -0.03 0.00 0.02 0.00 0.00 46.19 45.62 1r4y s LEU 9 CO 0.00 -0.35 0.63 -0.76 0.02 0.00 0.00 176.35 175.89 1r4y s LEU 10 N -3.38 4.21 -0.66 1.79 1.02 -1.26 -3.96 118.68 116.43 1r4y s LEU 10 Ca 0.28 0.94 -0.04 0.00 0.02 0.00 0.00 54.13 55.32 1r4y s LEU 10 Cb 0.03 -2.93 0.17 0.00 0.02 0.00 0.00 46.19 43.49 1r4y s LEU 10 CO 0.10 -0.20 0.49 -0.31 0.02 0.00 0.00 176.35 176.45 1r4y s TYR 11 N 1.45 3.45 0.04 0.29 2.02 0.19 -4.64 117.35 120.15 1r4y s TYR 11 Ca 0.31 -2.68 -0.34 0.00 -0.37 0.00 0.00 57.07 53.99 1r4y s TYR 11 Cb -0.16 -3.25 -0.13 0.00 -0.40 0.00 0.00 41.96 38.01 1r4y s TYR 11 CO 0.12 -0.85 1.70 -1.71 -1.57 0.00 0.00 175.55 173.25 1r4y n ASN 12 N 3.44 3.16 0.32 2.29 4.05 -1.26 -0.60 115.26 126.66 1r4y n ASN 12 Ca 0.09 1.04 0.20 0.00 0.45 0.00 0.00 54.58 56.36 1r4y n ASN 12 Cb 0.38 -1.38 1.10 0.00 1.23 0.00 0.00 39.78 41.11 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 7.34 0.00 0.00 1.20 5.75 -1.52 0.24 115.11 128.12 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 1.27 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.81 1r4y h GLN 13 CO 0.91 0.00 -0.08 -0.97 -2.65 0.00 0.00 178.83 176.05 1r4y h ASN 14 N 0.00 0.00 0.00 -0.69 -1.24 -1.84 -2.16 115.58 109.66 1r4y h ASN 14 Ca -0.00 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.70 1r4y h ASN 14 Cb 0.03 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.03 1r4y h ASN 14 CO 0.00 0.08 -2.18 0.29 -1.29 0.00 0.00 177.43 174.33 1r4y n LYS 15 N -3.49 0.79 -0.29 6.67 5.02 0.54 -3.32 118.16 124.08 1r4y n LYS 15 Ca -0.02 0.08 0.04 0.00 -2.02 0.00 0.00 58.31 56.39 1r4y n LYS 15 Cb 0.22 -1.42 0.18 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.27 1.19 0.05 7.82 0.00 -0.58 0.67 119.26 128.69 1r4y h ALA 16 Ca -0.46 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1r4y h ALA 16 Cb 1.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1r4y h ALA 16 CO -0.04 0.03 -0.81 1.05 0.00 0.00 0.00 179.25 179.48 1r4y h GLU 17 N 0.73 0.11 0.20 0.00 4.11 -1.63 -3.28 114.58 114.82 1r4y h GLU 17 Ca 0.41 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.65 1r4y h GLU 17 Cb 0.45 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1r4y h GLU 17 CO -0.28 1.09 -0.10 1.03 0.07 0.00 0.00 179.01 180.82 1r4y h SER 18 N -0.73 -0.23 -1.25 3.06 0.87 -1.44 0.58 113.55 114.41 1r4y h SER 18 Ca -0.19 -0.22 0.41 0.00 -1.23 0.00 0.00 61.79 60.56 1r4y h SER 18 Cb 1.37 0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 63.26 1r4y h SER 18 CO -0.02 0.12 0.80 -1.13 -0.53 0.00 0.00 176.83 176.06 1r4y h ASN 19 N -0.61 0.28 0.64 6.23 -0.00 0.13 0.29 115.58 122.55 1r4y h ASN 19 Ca -0.03 0.14 -0.27 0.00 -0.00 0.00 0.00 56.30 56.14 1r4y h ASN 19 Cb 0.44 0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.88 1r4y h ASN 19 CO 0.05 -0.17 -1.32 -1.28 -0.00 0.00 0.00 177.43 174.71 1r4y h SER 20 N 0.12 0.31 -1.12 1.15 0.87 -1.35 -3.33 113.55 110.20 1r4y h SER 20 Ca 0.80 -0.37 0.32 0.00 -1.23 0.00 0.00 61.79 61.31 1r4y h SER 20 Cb 2.39 -0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 64.14 1r4y h SER 20 CO -0.44 1.30 0.70 0.45 -0.53 0.00 0.00 176.83 178.31 1r4y h HIS 21 N 0.05 0.68 -0.02 2.24 3.86 0.40 0.15 115.15 122.51 1r4y h HIS 21 Ca -0.15 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.06 1r4y h HIS 21 Cb 1.95 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 30.24 1r4y h HIS 21 CO 0.05 -0.06 -0.09 0.45 0.86 0.00 0.00 177.93 179.14 1r4y h HIS 22 N 0.30 0.13 -0.83 2.45 3.86 -1.66 -3.46 115.15 115.94 1r4y h HIS 22 Ca 0.69 -0.06 -0.67 0.00 -1.16 0.00 0.00 60.37 59.17 1r4y h HIS 22 Cb 1.84 -0.02 0.04 0.00 1.06 0.00 0.00 27.41 30.33 1r4y h HIS 22 CO -0.00 0.73 0.13 0.00 0.86 0.00 0.00 177.93 179.65 1r4y n ALA 23 N -2.45 -2.80 -2.38 2.45 0.00 0.51 -4.84 120.51 111.01 1r4y n ALA 23 Ca -0.09 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 1r4y n ALA 23 Cb 0.37 -1.48 -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 0.40 4.34 -0.96 0.00 0.04 -1.26 -4.89 135.00 132.68 1r4y s PRO 24 Ca 0.77 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 63.34 1r4y s PRO 24 Cb -1.08 -3.53 -0.17 0.00 0.04 0.00 0.00 34.50 29.76 1r4y s PRO 24 CO 0.51 -0.46 2.21 -1.17 0.04 0.00 0.00 177.00 178.13 1r4y s LEU 25 N 2.09 2.67 -0.20 -3.56 2.96 -1.26 -4.63 118.68 116.75 1r4y s LEU 25 Ca 0.59 -0.59 -0.32 0.00 -0.22 0.00 0.00 54.13 53.59 1r4y s LEU 25 Cb -0.28 -2.58 0.15 0.00 0.50 0.00 0.00 46.19 43.99 1r4y s LEU 25 CO 0.24 -4.15 1.19 -0.44 -1.32 0.00 0.00 176.35 171.87 1r4y s SER 26 N 9.30 -0.17 -0.08 3.68 0.01 -1.26 -4.97 113.70 120.21 1r4y s SER 26 Ca 0.84 0.10 -0.12 0.00 1.31 0.00 0.00 55.95 58.08 1r4y s SER 26 Cb -0.08 0.16 -0.05 0.00 0.21 0.00 0.00 66.02 66.26 1r4y s SER 26 CO 0.12 -0.22 0.29 -0.62 0.41 0.00 0.00 173.24 173.22 1r4y s ASP 27 N -1.64 6.57 -0.70 2.44 2.15 -1.26 -4.15 116.67 120.08 1r4y s ASP 27 Ca 0.07 0.68 -0.02 0.00 0.43 0.00 0.00 52.55 53.71 1r4y s ASP 27 Cb -0.01 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1r4y s ASP 27 CO -0.04 0.30 0.52 0.61 -0.17 0.00 0.00 175.17 176.38 1r4y n GLY 28 N 2.28 -1.06 0.83 2.66 0.00 -1.05 -4.68 105.19 104.16 1r4y n GLY 28 Ca -0.15 0.55 -0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.22 0.00 -4.20 1.61 5.02 -1.25 -5.05 118.16 112.08 1r4y n LYS 29 Ca -0.27 -0.99 -0.18 0.00 -2.02 0.00 0.00 58.31 54.85 1r4y n LYS 29 Cb 0.60 -0.08 -0.12 0.00 -0.02 0.00 0.00 35.03 35.42 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 1.19 0.08 -0.18 -4.23 -1.25 -5.04 115.64 106.20 1r4y s THR 30 Ca 0.08 -1.47 -0.16 0.00 -1.18 0.00 0.00 61.69 58.97 1r4y s THR 30 Cb 0.09 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.64 1r4y s THR 30 CO -0.04 -0.30 1.27 1.23 -0.54 0.00 0.00 174.62 176.24 1r4y h GLY 31 N 3.99 -1.75 0.91 3.99 0.00 -1.33 -2.37 103.07 106.51 1r4y h GLY 31 Ca -0.41 0.96 -0.04 0.00 0.00 0.00 0.00 47.33 47.84 1r4y h GLY 31 CO 0.44 -0.49 -0.44 0.23 0.00 0.00 0.00 176.54 176.28 1r4y h SER 32 N -0.02 -1.04 0.00 0.19 0.87 -1.06 -3.38 113.55 109.11 1r4y h SER 32 Ca 0.08 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1r4y h SER 32 Cb 0.22 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1r4y h SER 32 CO -0.45 -0.74 0.00 -1.20 -0.53 0.00 0.00 176.83 173.91 1r4y n SER 33 N -5.31 0.00 -4.75 6.23 7.64 -0.89 -5.01 113.62 111.53 1r4y n SER 33 Ca -0.15 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.35 1r4y n SER 33 Cb 0.48 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.71 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r4y s TYR 34 N 0.00 2.44 0.82 1.43 1.51 -1.26 -3.78 117.35 118.51 1r4y s TYR 34 Ca 0.00 1.43 -0.12 0.00 -1.01 0.00 0.00 57.07 57.38 1r4y s TYR 34 Cb 0.00 -3.66 0.09 0.00 -0.11 0.00 0.00 41.96 38.28 1r4y s TYR 34 CO 0.00 -2.48 1.11 -1.25 -1.11 0.00 0.00 175.55 171.82 1r4y s PRO 35 N -2.91 1.87 0.24 -1.71 0.04 -1.26 -4.71 135.00 126.56 1r4y s PRO 35 Ca 0.70 0.52 0.01 0.00 0.04 0.00 0.00 61.00 62.28 1r4y s PRO 35 Cb -0.36 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1r4y s PRO 35 CO 0.43 -1.74 0.17 -3.38 0.04 0.00 0.00 177.00 172.51 1r4y s HIS 36 N -3.21 1.34 0.33 0.56 -3.43 -1.04 -2.54 115.29 107.30 1r4y s HIS 36 Ca 0.61 -1.44 -0.28 0.00 -0.80 0.00 0.00 55.06 53.16 1r4y s HIS 36 Cb -0.14 -0.62 -0.09 0.00 -1.43 0.00 0.00 32.58 30.29 1r4y s HIS 36 CO 0.54 -0.68 1.17 -0.46 -2.00 0.00 0.00 174.74 173.31 1r4y s TRP 37 N -3.95 3.29 -0.64 0.38 -0.00 -1.26 -2.15 118.94 114.61 1r4y s TRP 37 Ca 0.39 1.58 0.05 0.00 -0.00 0.00 0.00 56.10 58.12 1r4y s TRP 37 Cb 0.06 -3.41 0.16 0.00 -0.00 0.00 0.00 33.47 30.28 1r4y s TRP 37 CO 0.16 -1.10 0.42 0.12 -0.00 0.00 0.00 176.95 176.55 1r4y s PHE 38 N -1.25 3.34 0.54 5.86 5.36 0.12 -4.71 117.98 127.23 1r4y s PHE 38 Ca 0.50 -3.24 0.47 0.00 -0.96 0.00 0.00 56.93 53.70 1r4y s PHE 38 Cb -0.33 -2.65 1.69 0.00 -0.34 0.00 0.00 43.02 41.39 1r4y s PHE 38 CO 0.43 -0.61 1.58 1.79 -1.46 0.00 0.00 175.22 176.95 1r4y h THR 39 N 4.71 0.02 0.00 0.12 1.35 -1.88 -3.36 112.91 113.86 1r4y h THR 39 Ca 0.09 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1r4y h THR 39 Cb 0.80 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.23 1r4y h THR 39 CO 0.69 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 172.76 1r4y n ASN 40 N -4.10 -3.30 0.00 5.36 5.15 -1.26 -1.28 115.26 115.83 1r4y n ASN 40 Ca 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 1r4y n ASN 40 Cb 1.92 -1.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 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 -1.44 1.46 3.80 8.20 0.00 -1.26 -4.01 105.19 111.94 1r4y n GLY 41 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1r4y n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r4y s TYR 42 N -2.02 1.46 -0.22 1.61 1.51 -0.40 -4.51 117.35 114.78 1r4y s TYR 42 Ca 0.00 0.48 0.01 0.00 -1.01 0.00 0.00 57.07 56.56 1r4y s TYR 42 Cb 0.00 -3.76 -0.20 0.00 -0.11 0.00 0.00 41.96 37.89 1r4y s TYR 42 CO 0.00 -2.96 -0.06 -0.25 -1.11 0.00 0.00 175.55 171.18 1r4y n ASP 43 N -4.06 1.86 0.00 2.29 8.00 -1.25 -4.84 116.55 118.54 1r4y n ASP 43 Ca 0.13 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1r4y n ASP 43 Cb 0.59 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1r4y n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r4y n GLY 44 N 2.15 -2.16 0.06 0.44 0.00 -1.26 -5.04 105.19 99.37 1r4y n GLY 44 Ca -0.41 0.72 -0.06 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.51 1.33 -4.54 1.61 9.92 -1.26 -3.31 116.55 119.78 1r4y n ASP 45 Ca 0.00 0.26 -0.29 0.00 -0.53 0.00 0.00 54.79 54.23 1r4y n ASP 45 Cb 0.00 -0.68 0.23 0.00 -0.64 0.00 0.00 41.12 40.03 1r4y n ASP 45 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1r4y s GLY 46 N -4.24 1.59 0.75 0.44 0.00 -1.26 -4.18 107.32 100.41 1r4y s GLY 46 Ca -0.19 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.51 1r4y s GLY 46 CO 0.28 0.72 0.38 0.58 0.00 0.00 0.00 173.10 175.06 1r4y n LYS 47 N -4.72 -2.08 -1.31 2.90 2.85 -1.26 -4.12 118.16 110.42 1r4y n LYS 47 Ca 0.06 -0.64 -0.33 0.00 -1.05 0.00 0.00 58.31 56.35 1r4y n LYS 47 Cb 0.54 -1.03 0.10 0.00 -0.65 0.00 0.00 35.03 33.99 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 3.17 1.08 -5.58 1.02 -1.26 -3.96 118.68 113.15 1r4y s LEU 48 Ca 0.30 2.14 -0.16 0.00 0.02 0.00 0.00 54.13 56.42 1r4y s LEU 48 Cb -0.05 -4.56 0.23 0.00 0.02 0.00 0.00 46.19 41.83 1r4y s LEU 48 CO 0.25 -2.27 1.15 -2.16 0.02 0.00 0.00 176.35 173.34 1r4y s PRO 49 N -4.31 -0.24 -0.65 1.29 0.04 -1.26 -4.86 135.00 125.02 1r4y s PRO 49 Ca 0.68 0.02 -0.26 0.00 0.04 0.00 0.00 61.00 61.49 1r4y s PRO 49 Cb -0.23 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 1r4y s PRO 49 CO 0.49 -3.07 2.43 1.17 0.04 0.00 0.00 177.00 178.06 1r4y n LYS 50 N -4.32 0.76 0.00 4.56 4.81 -1.26 -3.91 118.16 118.80 1r4y n LYS 50 Ca 0.11 -0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1r4y n LYS 50 Cb 0.59 -3.27 0.00 0.00 0.02 0.00 0.00 35.03 32.37 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 6.28 0.54 3.59 3.14 0.00 -1.26 -5.17 105.19 112.31 1r4y n GLY 51 Ca 0.44 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.02 0.48 -0.32 1.61 1.81 -1.25 -5.12 118.95 116.14 1r4y s ARG 52 Ca 0.00 -0.21 -0.01 0.00 -1.72 0.00 0.00 55.73 53.79 1r4y s ARG 52 Cb 0.00 0.20 0.13 0.00 -0.45 0.00 0.00 34.95 34.83 1r4y s ARG 52 CO 0.00 -0.21 0.22 0.99 -0.68 0.00 0.00 175.30 175.62 1r4y s THR 53 N -2.61 -0.11 0.44 0.02 2.01 -1.26 -5.05 115.64 109.07 1r4y s THR 53 Ca 0.10 -1.02 -0.23 0.00 0.31 0.00 0.00 61.69 60.85 1r4y s THR 53 Cb 0.00 -0.98 -0.08 0.00 0.01 0.00 0.00 72.50 71.45 1r4y s THR 53 CO -0.05 -0.74 1.09 -2.16 -0.69 0.00 0.00 174.62 172.07 1r4y s PRO 54 N 1.75 3.96 -0.15 4.92 0.04 -1.26 -4.92 135.00 139.34 1r4y s PRO 54 Ca 0.13 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 1r4y s PRO 54 Cb -0.18 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1r4y s PRO 54 CO -0.20 -0.33 1.66 0.42 0.04 0.00 0.00 177.00 178.58 1r4y s ILE 55 N -1.67 3.62 0.13 0.56 1.01 -1.26 -4.97 121.20 118.63 1r4y s ILE 55 Ca 0.61 0.72 -0.28 0.00 0.00 0.00 0.00 60.65 61.71 1r4y s ILE 55 Cb -0.23 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 1r4y s ILE 55 CO 0.29 -0.18 0.87 -0.75 0.00 0.00 0.00 174.94 175.16 1r4y s LYS 56 N 4.48 4.65 -0.04 2.79 2.36 -1.26 -4.95 119.74 127.78 1r4y s LYS 56 Ca 0.73 1.30 -0.04 0.00 -2.55 0.00 0.00 55.97 55.41 1r4y s LYS 56 Cb -0.29 -3.33 -0.03 0.00 -1.05 0.00 0.00 37.83 33.14 1r4y s LYS 56 CO 0.29 0.37 -0.09 1.19 1.55 0.00 0.00 175.35 178.67 1r4y n PHE 57 N 2.26 0.00 0.00 4.03 3.01 -1.26 -4.84 117.46 120.66 1r4y n PHE 57 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1r4y n PHE 57 Cb 0.49 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 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 2.70 1.14 3.74 1.37 0.00 -1.26 -5.12 105.19 107.76 1r4y n GLY 58 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 4.33 0.00 1.61 -0.14 -1.26 -4.95 119.74 119.32 1r4y s LYS 59 Ca 0.00 0.62 0.20 0.00 -1.36 0.00 0.00 55.97 55.42 1r4y s LYS 59 Cb 0.00 -3.39 1.17 0.00 -1.68 0.00 0.00 37.83 33.93 1r4y s LYS 59 CO 0.00 0.24 1.58 0.43 -0.76 0.00 0.00 175.35 176.84 1r4y n SER 60 N 3.27 0.00 -0.08 2.83 7.64 -1.26 -1.91 113.62 124.11 1r4y n SER 60 Ca -0.06 -0.72 -0.13 0.00 1.01 0.00 0.00 58.87 58.97 1r4y n SER 60 Cb 0.51 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.64 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1r4y h ASP 61 N 0.00 0.00 0.37 6.43 3.32 -1.94 -3.12 116.42 121.48 1r4y h ASP 61 Ca 0.00 -0.36 -0.22 0.00 0.02 0.00 0.00 57.03 56.48 1r4y h ASP 61 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1r4y h ASP 61 CO 0.00 1.07 -0.91 0.00 -1.72 0.00 0.00 179.24 177.68 1r4y h ASP 63 N 0.21 1.15 -2.90 0.00 1.82 -1.58 -3.45 116.42 111.67 1r4y h ASP 63 Ca -0.07 -0.03 -0.54 0.00 -0.39 0.00 0.00 57.03 56.00 1r4y h ASP 63 Cb 1.53 -0.28 0.22 0.00 0.68 0.00 0.00 39.33 41.48 1r4y h ASP 63 CO 0.15 0.82 -0.98 -2.11 -1.61 0.00 0.00 179.24 175.51 1r4y n ARG 64 N -4.39 -0.13 -2.26 0.28 1.85 -1.17 -4.90 116.66 105.94 1r4y n ARG 64 Ca 0.12 -0.01 -0.42 0.00 -1.00 0.00 0.00 57.85 56.55 1r4y n ARG 64 Cb 0.03 -1.56 -0.03 0.00 -1.05 0.00 0.00 32.46 29.85 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 -2.95 4.40 0.97 2.89 0.04 -1.26 -5.00 135.00 134.08 1r4y s PRO 65 Ca 0.52 2.00 -0.13 0.00 0.04 0.00 0.00 61.00 63.43 1r4y s PRO 65 Cb -0.22 -3.23 0.17 0.00 0.04 0.00 0.00 34.50 31.26 1r4y s PRO 65 CO 0.71 -0.26 1.12 -1.25 0.04 0.00 0.00 177.00 177.36 1r4y s PRO 66 N 0.23 0.68 -0.36 0.56 0.04 -1.26 -4.87 135.00 130.02 1r4y s PRO 66 Ca 0.58 0.36 0.14 0.00 0.04 0.00 0.00 61.00 62.12 1r4y s PRO 66 Cb -0.35 -1.78 0.42 0.00 0.04 0.00 0.00 34.50 32.83 1r4y s PRO 66 CO 0.35 -2.53 0.91 1.17 0.04 0.00 0.00 177.00 176.95 1r4y n LYS 67 N -4.01 1.45 -1.59 4.56 3.00 -1.26 -4.59 118.16 115.73 1r4y n LYS 67 Ca 0.06 -3.50 -0.29 0.00 -0.00 0.00 0.00 58.31 54.58 1r4y n LYS 67 Cb 0.58 -1.52 0.11 0.00 0.00 0.00 0.00 35.03 34.20 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 -3.01 2.73 0.00 5.64 5.65 -1.21 -4.20 115.29 120.89 1r4y s HIS 68 Ca 0.34 0.99 0.00 0.00 0.25 0.00 0.00 55.06 56.63 1r4y s HIS 68 Cb 0.42 -3.26 0.00 0.00 -1.18 0.00 0.00 32.58 28.56 1r4y s HIS 68 CO -0.02 -2.00 0.00 0.45 -0.65 0.00 0.00 174.74 172.52 1r4y n SER 69 N -3.54 0.00 -3.82 9.88 2.88 -1.26 -4.43 113.62 113.33 1r4y n SER 69 Ca 0.07 -0.66 -0.42 0.00 -1.33 0.00 0.00 58.87 56.52 1r4y n SER 69 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 3.13 0.00 -1.46 4.76 -1.26 -3.62 118.16 119.71 1r4y n LYS 70 Ca 0.00 -2.95 0.00 0.00 -2.87 0.00 0.00 58.31 52.49 1r4y n LYS 70 Cb 0.00 -3.17 0.00 0.00 -1.84 0.00 0.00 35.03 30.02 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 5.44 0.00 0.00 4.39 8.00 -1.26 -5.06 116.55 128.06 1r4y n ASP 71 Ca 0.48 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1r4y n ASP 71 Cb 0.38 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 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 -0.70 2.39 2.71 0.44 0.00 -1.24 -4.75 105.19 104.04 1r4y n GLY 72 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 1r4y n GLY 72 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r4y n ASN 73 N 0.00 3.55 0.00 1.61 6.94 -1.26 -4.37 115.26 121.73 1r4y n ASN 73 Ca 0.00 -3.49 0.00 0.00 -0.02 0.00 0.00 54.58 51.07 1r4y n ASN 73 Cb 0.00 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 36.83 1r4y n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r4y n GLY 74 N 0.04 -1.43 0.00 4.83 0.00 -1.26 -4.84 105.19 102.53 1r4y n GLY 74 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.65 1.61 5.02 -1.26 -4.78 118.16 118.10 1r4y n LYS 75 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1r4y n LYS 75 Cb 0.00 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.34 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 2.40 -0.80 -0.18 5.66 -1.26 -5.01 114.28 115.09 1r4y n THR 76 Ca 0.00 -1.58 -0.21 0.00 -3.05 0.00 0.00 64.05 59.21 1r4y n THR 76 Cb 0.00 -0.20 -0.08 0.00 -1.55 0.00 0.00 70.33 68.50 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 0.17 0.12 -0.21 1.09 9.92 -1.26 -4.71 116.55 121.67 1r4y n ASP 77 Ca 0.24 0.08 0.01 0.00 -0.53 0.00 0.00 54.79 54.59 1r4y n ASP 77 Cb 1.01 -0.48 0.03 0.00 -0.64 0.00 0.00 41.12 41.04 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 5.49 0.10 -1.28 1.24 1.44 -1.26 -4.70 115.22 116.25 1r4y n HIS 78 Ca 0.35 -0.05 -0.43 0.00 -2.01 0.00 0.00 57.72 55.58 1r4y n HIS 78 Cb 0.02 -0.02 -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 -0.25 -0.78 -1.94 -1.40 4.11 -1.26 -3.32 117.16 112.33 1r4y n TYR 79 Ca 0.02 0.83 -0.31 0.00 -0.00 0.00 0.00 57.90 58.44 1r4y n TYR 79 Cb 0.10 -1.79 0.01 0.00 -0.00 0.00 0.00 39.34 37.67 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 3.06 3.33 -0.07 -3.48 1.43 -1.26 -2.90 118.68 118.80 1r4y s LEU 80 Ca 0.59 1.56 -0.03 0.00 -1.03 0.00 0.00 54.13 55.22 1r4y s LEU 80 Cb -0.81 -4.49 0.04 0.00 0.03 0.00 0.00 46.19 40.96 1r4y s LEU 80 CO 0.53 -1.00 0.16 -0.76 0.23 0.00 0.00 176.35 175.52 1r4y s LEU 81 N -4.92 0.63 0.14 1.79 1.43 -0.73 0.16 118.68 117.17 1r4y s LEU 81 Ca 0.58 0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1r4y s LEU 81 Cb -0.12 0.41 -0.05 0.00 0.03 0.00 0.00 46.19 46.46 1r4y s LEU 81 CO 0.47 -0.16 0.34 -1.83 0.23 0.00 0.00 176.35 175.40 1r4y s GLU 82 N 1.25 3.54 -0.04 1.70 1.03 -0.91 -3.20 118.70 122.08 1r4y s GLU 82 Ca -0.09 -0.27 -0.01 0.00 0.03 0.00 0.00 54.97 54.63 1r4y s GLU 82 Cb -0.11 -2.90 0.03 0.00 -0.80 0.00 0.00 34.13 30.35 1r4y s GLU 82 CO -0.06 0.48 0.07 0.12 -1.33 0.00 0.00 175.26 174.55 1r4y s PHE 83 N -1.69 -0.05 -0.77 4.83 5.36 -0.84 -2.49 117.98 122.32 1r4y s PHE 83 Ca 0.39 0.26 -0.26 0.00 -0.96 0.00 0.00 56.93 56.36 1r4y s PHE 83 Cb -0.12 -0.16 0.01 0.00 -0.34 0.00 0.00 43.02 42.41 1r4y s PHE 83 CO 0.27 -0.11 1.56 -1.25 -1.46 0.00 0.00 175.22 174.23 1r4y s PRO 84 N 1.04 3.01 -0.32 10.12 0.04 -1.26 -0.80 135.00 146.83 1r4y s PRO 84 Ca -0.08 -0.15 -0.12 0.00 0.04 0.00 0.00 61.00 60.69 1r4y s PRO 84 Cb -0.12 -4.56 -0.02 0.00 0.04 0.00 0.00 34.50 29.85 1r4y s PRO 84 CO -0.04 -2.48 0.21 -0.08 0.04 0.00 0.00 177.00 174.64 1r4y s THR 85 N 7.13 5.10 0.57 1.26 -1.32 -1.26 -4.86 115.64 122.27 1r4y s THR 85 Ca 0.51 -0.20 -0.09 0.00 -1.21 0.00 0.00 61.69 60.69 1r4y s THR 85 Cb -0.08 -3.58 -0.04 0.00 -1.51 0.00 0.00 72.50 67.29 1r4y s THR 85 CO 0.10 0.06 0.95 -0.36 -2.21 0.00 0.00 174.62 173.16 1r4y s PHE 86 N 1.70 3.60 0.07 9.09 0.08 -1.26 -4.80 117.98 126.46 1r4y s PHE 86 Ca 0.06 1.15 -0.13 0.00 0.12 0.00 0.00 56.93 58.12 1r4y s PHE 86 Cb -0.17 -2.59 -0.26 0.00 -0.57 0.00 0.00 43.02 39.43 1r4y s PHE 86 CO 0.09 -0.55 1.15 -1.00 -0.10 0.00 0.00 175.22 174.81 1r4y h PRO 87 N -0.10 0.62 -1.58 0.24 0.13 -1.95 -3.19 132.00 126.17 1r4y h PRO 87 Ca -0.45 -0.77 0.46 0.00 -0.87 0.00 0.00 66.00 64.37 1r4y h PRO 87 Cb 1.19 0.24 -0.08 0.00 0.13 0.00 0.00 31.00 32.49 1r4y h PRO 87 CO 0.62 1.34 1.12 -0.44 -0.23 0.00 0.00 178.00 180.41 1r4y h ASP 88 N 0.30 0.05 0.00 1.44 3.32 -1.95 -3.45 116.42 116.13 1r4y h ASP 88 Ca -0.16 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1r4y h ASP 88 Cb 1.84 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.40 1r4y h ASP 88 CO 0.22 -0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.33 1r4y n GLY 89 N -1.80 0.62 3.71 2.75 0.00 -1.21 -5.03 105.19 104.24 1r4y n GLY 89 Ca 0.36 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 3.58 -0.77 1.61 -3.43 -1.26 -4.93 115.29 108.09 1r4y s HIS 90 Ca 0.00 1.56 -0.25 0.00 -0.80 0.00 0.00 55.06 55.57 1r4y s HIS 90 Cb 0.00 -3.23 -0.14 0.00 -1.43 0.00 0.00 32.58 27.78 1r4y s HIS 90 CO 0.00 -0.46 2.41 -3.47 -2.00 0.00 0.00 174.74 171.22 1r4y n ASP 91 N 3.90 1.73 -4.07 7.38 2.03 -1.26 -4.72 116.55 121.52 1r4y n ASP 91 Ca 0.07 -1.37 -0.45 0.00 0.52 0.00 0.00 54.79 53.56 1r4y n ASP 91 Cb 0.49 -1.61 -0.03 0.00 -0.72 0.00 0.00 41.12 39.25 1r4y n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r4y n TYR 92 N 18.01 -0.42 -1.32 -0.67 9.36 -1.26 -4.77 117.16 136.08 1r4y n TYR 92 Ca 0.47 0.90 -0.38 0.00 3.32 0.00 0.00 57.90 62.22 1r4y n TYR 92 Cb 0.43 -1.82 -0.02 0.00 -0.63 0.00 0.00 39.34 37.30 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 0.94 2.91 0.06 2.98 2.85 -1.26 -4.49 118.16 122.15 1r4y n LYS 93 Ca 0.17 -2.16 0.13 0.00 -1.05 0.00 0.00 58.31 55.41 1r4y n LYS 93 Cb 0.23 -2.91 0.49 0.00 -0.65 0.00 0.00 35.03 32.19 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 4.92 0.56 -0.04 5.58 1.16 -1.26 -3.70 117.46 124.68 1r4y n PHE 94 Ca 0.61 0.16 -0.13 0.00 -1.87 0.00 0.00 57.45 56.23 1r4y n PHE 94 Cb 0.28 -0.77 -0.14 0.00 -1.61 0.00 0.00 39.48 37.24 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 -1.96 1.08 -4.59 5.98 -0.08 -1.26 -0.80 116.55 114.92 1r4y n ASP 95 Ca 0.06 0.24 -0.43 0.00 -1.51 0.00 0.00 54.79 53.15 1r4y n ASP 95 Cb 0.40 -0.06 -0.03 0.00 2.34 0.00 0.00 41.12 43.77 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 -6.22 6.59 0.11 1.67 0.01 -1.24 -3.06 113.70 111.57 1r4y s SER 96 Ca -0.12 0.34 -0.21 0.00 1.31 0.00 0.00 55.95 57.27 1r4y s SER 96 Cb 0.07 -2.51 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 1r4y s SER 96 CO 0.79 -1.16 1.73 0.07 0.41 0.00 0.00 173.24 175.09 1r4y h LYS 97 N 9.12 0.06 -3.39 12.44 2.10 -1.86 -3.32 116.57 131.73 1r4y h LYS 97 Ca -0.23 -0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.11 1r4y h LYS 97 Cb 1.07 -0.01 -0.35 0.00 -0.90 0.00 0.00 32.23 32.03 1r4y h LYS 97 CO 1.08 0.04 -0.70 0.21 -2.00 0.00 0.00 179.45 178.08 1r4y s LYS 98 N -6.19 -0.02 1.13 0.07 2.20 -1.26 -3.87 119.74 111.80 1r4y s LYS 98 Ca -0.13 0.30 -0.17 0.00 -0.36 0.00 0.00 55.97 55.60 1r4y s LYS 98 Cb 0.08 -0.30 0.25 0.00 -1.51 0.00 0.00 37.83 36.35 1r4y s LYS 98 CO 0.68 -0.22 1.14 -1.25 -0.36 0.00 0.00 175.35 175.34 1r4y s PRO 99 N 1.47 -0.61 -0.03 4.03 0.04 -1.26 -5.18 135.00 133.45 1r4y s PRO 99 Ca -0.05 -0.03 -0.02 0.00 0.04 0.00 0.00 61.00 60.94 1r4y s PRO 99 Cb -0.12 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1r4y s PRO 99 CO -0.04 -3.31 0.08 0.21 0.04 0.00 0.00 177.00 173.98 1r4y s LYS 100 N -5.42 0.06 0.30 4.56 2.20 -1.25 -4.75 119.74 115.43 1r4y s LYS 100 Ca 0.70 0.18 -0.18 0.00 -0.36 0.00 0.00 55.97 56.31 1r4y s LYS 100 Cb -0.10 -0.07 -0.09 0.00 -1.51 0.00 0.00 37.83 36.06 1r4y s LYS 100 CO 0.56 -0.08 0.76 -2.00 -0.36 0.00 0.00 175.35 174.23 1r4y s GLU 101 N 0.50 4.14 0.63 4.03 2.12 -1.26 -5.04 118.70 123.81 1r4y s GLU 101 Ca -0.04 0.81 -0.17 0.00 0.36 0.00 0.00 54.97 55.93 1r4y s GLU 101 Cb -0.05 -2.59 -0.12 0.00 0.26 0.00 0.00 34.13 31.63 1r4y s GLU 101 CO -0.02 0.23 0.03 0.09 -0.54 0.00 0.00 175.26 175.06 1r4y n ASN 102 N 0.05 -3.02 0.00 -1.70 3.02 -1.26 -4.98 115.26 107.37 1r4y n ASN 102 Ca 0.02 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1r4y n ASN 102 Cb 0.52 -0.97 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1r4y n ASN 102 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1r4y n PRO 103 N 0.91 0.00 0.00 3.52 -0.04 -1.26 -5.09 135.00 133.04 1r4y n PRO 103 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1r4y n PRO 103 Cb 0.49 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.57 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 1.60 3.91 0.14 0.55 0.00 -1.26 -4.86 105.19 105.27 1r4y n GLY 104 Ca 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.26 -6.71 1.61 0.13 -1.98 -3.45 132.00 121.34 1r4y h PRO 105 Ca 0.00 0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.62 1r4y h PRO 105 Cb 0.00 0.06 0.07 0.00 0.13 0.00 0.00 31.00 31.25 1r4y h PRO 105 CO 0.00 -0.17 0.95 0.00 -0.23 0.00 0.00 178.00 178.55 1r4y s ALA 106 N -3.27 3.85 -0.03 -0.56 0.00 -1.25 -4.62 121.76 115.88 1r4y s ALA 106 Ca -0.04 1.55 -0.09 0.00 0.00 0.00 0.00 51.96 53.39 1r4y s ALA 106 Cb 0.00 -3.67 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1r4y s ALA 106 CO 0.12 -0.93 0.21 1.03 0.00 0.00 0.00 175.76 176.18 1r4y s ARG 107 N 0.52 0.45 -0.24 0.00 0.52 -1.21 -4.01 118.95 114.98 1r4y s ARG 107 Ca 0.70 -0.10 -0.29 0.00 -0.52 0.00 0.00 55.73 55.51 1r4y s ARG 107 Cb -0.48 0.20 0.01 0.00 0.52 0.00 0.00 34.95 35.19 1r4y s ARG 107 CO 0.38 -0.10 1.05 0.54 0.02 0.00 0.00 175.30 177.19 1r4y s VAL 108 N -0.84 4.65 -0.08 3.52 0.11 0.02 -2.96 120.40 124.82 1r4y s VAL 108 Ca -0.09 1.99 -0.05 0.00 -2.93 0.00 0.00 61.98 60.89 1r4y s VAL 108 Cb -0.05 -4.31 -0.04 0.00 -1.53 0.00 0.00 36.38 30.45 1r4y s VAL 108 CO 0.02 -0.21 0.14 -0.63 -3.33 0.00 0.00 175.10 171.09 1r4y s ILE 109 N 3.26 5.38 -0.05 7.04 -1.09 -0.12 -1.99 121.20 133.63 1r4y s ILE 109 Ca 0.44 0.04 -0.29 0.00 -2.23 0.00 0.00 60.65 58.61 1r4y s ILE 109 Cb -0.15 -3.40 0.10 0.00 -1.58 0.00 0.00 42.46 37.43 1r4y s ILE 109 CO 0.07 0.52 0.83 -0.72 -1.23 0.00 0.00 174.94 174.41 1r4y s TYR 110 N -1.12 -0.46 0.64 3.97 -0.85 -1.19 -0.68 117.35 117.65 1r4y s TYR 110 Ca 0.19 0.63 -0.05 0.00 -0.52 0.00 0.00 57.07 57.32 1r4y s TYR 110 Cb -0.12 0.47 0.04 0.00 0.38 0.00 0.00 41.96 42.73 1r4y s TYR 110 CO 0.09 -0.53 0.94 0.95 -1.52 0.00 0.00 175.55 175.48 1r4y s THR 111 N -1.94 2.71 0.14 -3.49 -4.23 -1.23 -1.77 115.64 105.83 1r4y s THR 111 Ca -0.02 -0.28 0.08 0.00 -1.18 0.00 0.00 61.69 60.29 1r4y s THR 111 Cb -0.01 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 1r4y s THR 111 CO -0.00 -0.12 -0.12 -0.47 -0.54 0.00 0.00 174.62 173.37 1r4y s TYR 112 N -3.08 2.64 -0.08 3.99 6.14 -1.14 -3.41 117.35 122.40 1r4y s TYR 112 Ca 0.58 -0.21 -0.25 0.00 0.64 0.00 0.00 57.07 57.83 1r4y s TYR 112 Cb -0.11 -1.34 -0.20 0.00 0.42 0.00 0.00 41.96 40.73 1r4y s TYR 112 CO 0.44 0.46 0.90 -1.00 0.64 0.00 0.00 175.55 176.99 1r4y h PRO 113 N 3.31 -0.05 -6.00 4.97 0.13 -1.85 -3.38 132.00 129.13 1r4y h PRO 113 Ca -0.48 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.90 1r4y h PRO 113 Cb 1.18 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1r4y h PRO 113 CO 0.51 0.61 1.29 0.09 -0.23 0.00 0.00 178.00 180.27 1r4y n ASN 114 N -4.77 1.22 -3.50 1.44 3.02 -1.26 -4.72 115.26 106.69 1r4y n ASN 114 Ca -0.08 0.66 -0.38 0.00 -0.03 0.00 0.00 54.58 54.74 1r4y n ASN 114 Cb 0.33 -1.01 -0.06 0.00 -0.61 0.00 0.00 39.78 38.44 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 7.36 1.31 -1.55 3.52 5.02 -1.22 -4.18 118.16 128.41 1r4y n LYS 115 Ca 0.48 -1.60 -0.40 0.00 -2.02 0.00 0.00 58.31 54.77 1r4y n LYS 115 Cb 0.04 -2.74 -0.04 0.00 -0.02 0.00 0.00 35.03 32.27 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 5.81 2.36 -1.59 -0.18 0.31 -1.24 -4.80 118.33 118.99 1r4y n VAL 116 Ca 0.46 -2.17 -0.63 0.00 -0.01 0.00 0.00 64.34 61.99 1r4y n VAL 116 Cb 0.34 -2.36 -0.10 0.00 -0.91 0.00 0.00 33.84 30.82 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 8.51 1.62 -0.02 3.52 7.35 -1.26 -3.52 117.46 133.66 1r4y n PHE 117 Ca 0.49 0.91 -0.21 0.00 -0.76 0.00 0.00 57.45 57.88 1r4y n PHE 117 Cb 0.42 -2.30 -0.13 0.00 0.35 0.00 0.00 39.48 37.82 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 1.92 -1.34 3.65 0.00 0.00 -1.23 -4.99 105.19 103.20 1r4y n GLY 119 Ca -0.33 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.72 3.86 0.21 -0.61 1.09 -1.26 -0.94 121.20 120.83 1r4y s ILE 120 Ca 0.00 -0.87 0.11 0.00 -1.10 0.00 0.00 60.65 58.79 1r4y s ILE 120 Cb 0.00 -2.76 -0.05 0.00 -1.06 0.00 0.00 42.46 38.59 1r4y s ILE 120 CO 0.00 0.26 -0.23 0.27 -0.10 0.00 0.00 174.94 175.14 1r4y s ILE 121 N -1.15 2.42 -0.15 2.92 -4.36 -1.15 0.58 121.20 120.29 1r4y s ILE 121 Ca 0.21 -2.10 -0.34 0.00 -0.26 0.00 0.00 60.65 58.16 1r4y s ILE 121 Cb -0.11 -2.18 0.13 0.00 1.25 0.00 0.00 42.46 41.54 1r4y s ILE 121 CO 0.13 -0.18 1.16 0.00 0.24 0.00 0.00 174.94 176.29 1r4y s ALA 122 N -1.85 -2.04 -0.95 2.27 0.00 -0.70 -3.35 121.76 115.14 1r4y s ALA 122 Ca 0.23 1.47 -0.18 0.00 0.00 0.00 0.00 51.96 53.48 1r4y s ALA 122 Cb -0.07 -0.01 0.14 0.00 0.00 0.00 0.00 23.12 23.18 1r4y s ALA 122 CO 0.11 -0.63 1.12 -1.01 0.00 0.00 0.00 175.76 175.36 1r4y s HIS 123 N -2.53 3.22 -0.66 0.00 0.09 -1.26 -1.23 115.29 112.92 1r4y s HIS 123 Ca 0.09 -1.52 -0.00 0.00 -0.00 0.00 0.00 55.06 53.62 1r4y s HIS 123 Cb -0.01 -4.24 0.42 0.00 -0.00 0.00 0.00 32.58 28.75 1r4y s HIS 123 CO -0.05 -1.43 1.87 0.25 -0.00 0.00 0.00 174.74 175.37 1r4y n THR 124 N 5.26 3.40 -0.04 1.30 -2.24 -1.25 -4.25 114.28 116.47 1r4y n THR 124 Ca 0.24 -3.60 0.01 0.00 -2.27 0.00 0.00 64.05 58.43 1r4y n THR 124 Cb 0.48 -1.19 -0.12 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.76 1.02 0.06 -0.78 3.00 -1.26 -5.01 118.16 114.43 1r4y n LYS 125 Ca 0.57 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 1r4y n LYS 125 Cb 0.58 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 34.23 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 -2.29 0.00 0.00 1.64 2.13 -1.26 -5.03 120.64 115.83 1r4y n GLU 126 Ca -0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1r4y n GLU 126 Cb 0.68 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.39 1r4y n GLU 126 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1r4y n ASN 127 N -2.60 0.00 -2.92 4.31 2.85 -1.26 -5.04 115.26 110.60 1r4y n ASN 127 Ca 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.39 1r4y n ASN 127 Cb 0.00 0.18 -0.01 0.00 1.24 0.00 0.00 39.78 41.19 1r4y n ASN 127 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1r4y s GLN 128 N -1.46 1.02 0.00 1.20 0.74 -1.26 -4.85 119.66 115.05 1r4y s GLN 128 Ca 0.00 -1.19 0.00 0.00 0.05 0.00 0.00 55.36 54.22 1r4y s GLN 128 Cb 0.00 -0.30 0.00 0.00 1.10 0.00 0.00 33.01 33.81 1r4y s GLN 128 CO 0.00 -1.33 0.00 0.41 -0.55 0.00 0.00 175.29 173.82 1r4y n GLY 129 N 3.07 2.24 3.72 2.59 0.00 -1.26 -5.10 105.19 110.45 1r4y n GLY 129 Ca 0.19 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 1.76 4.29 0.24 1.61 8.01 -1.26 -4.90 118.70 128.45 1r4y s GLU 130 Ca 0.00 0.26 -0.12 0.00 0.01 0.00 0.00 54.97 55.13 1r4y s GLU 130 Cb 0.00 -3.44 -0.08 0.00 -4.31 0.00 0.00 34.13 26.30 1r4y s GLU 130 CO 0.00 0.18 0.59 -0.48 0.01 0.00 0.00 175.26 175.56 1r4y s LEU 131 N 0.61 4.17 0.21 1.80 0.05 -1.26 -3.75 118.68 120.51 1r4y s LEU 131 Ca 0.21 1.03 -0.13 0.00 0.05 0.00 0.00 54.13 55.29 1r4y s LEU 131 Cb -0.14 -3.72 0.00 0.00 -2.05 0.00 0.00 46.19 40.29 1r4y s LEU 131 CO 0.07 -0.08 0.42 -1.59 -0.55 0.00 0.00 176.35 174.63 1r4y s LYS 132 N -2.73 1.37 0.20 1.48 -2.85 -0.37 -4.87 119.74 111.98 1r4y s LYS 132 Ca 0.48 -1.12 -0.31 0.00 -1.00 0.00 0.00 55.97 54.02 1r4y s LYS 132 Cb -0.12 0.45 -0.10 0.00 -2.06 0.00 0.00 37.83 36.01 1r4y s LYS 132 CO 0.20 -0.55 1.44 -1.17 0.10 0.00 0.00 175.35 175.37 1r4y s LEU 133 N -2.96 4.38 0.00 2.77 2.96 -1.26 -1.73 118.68 122.84 1r4y s LEU 133 Ca 0.17 2.56 -0.19 0.00 -0.22 0.00 0.00 54.13 56.46 1r4y s LEU 133 Cb 0.01 -3.61 0.29 0.00 0.50 0.00 0.00 46.19 43.38 1r4y s LEU 133 CO 0.03 -0.69 0.65 0.00 -1.32 0.00 0.00 176.35 175.02 1r4y s SER 135 N -2.72 -1.24 0.00 0.00 0.01 -1.01 -4.90 113.70 103.84 1r4y s SER 135 Ca 0.51 0.99 0.32 0.00 1.31 0.00 0.00 55.95 59.08 1r4y s SER 135 Cb -0.09 2.13 1.85 0.00 0.21 0.00 0.00 66.02 70.12 1r4y s SER 135 CO 0.42 -0.23 2.20 0.00 0.41 0.00 0.00 173.24 176.04