#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 3.46 -0.36 0.00 0.11 -1.26 -4.77 120.40 117.58 1r4y s VAL 2 Ca 0.00 1.08 -0.22 0.00 -2.93 0.00 0.00 61.98 59.91 1r4y s VAL 2 Cb 0.00 -3.54 0.01 0.00 -1.53 0.00 0.00 36.38 31.32 1r4y s VAL 2 CO 0.00 -0.03 0.72 -0.89 -3.33 0.00 0.00 175.10 171.57 1r4y s THR 3 N -1.65 4.80 0.44 5.04 2.01 -1.26 -3.30 115.64 121.73 1r4y s THR 3 Ca 0.62 0.75 -0.21 0.00 0.31 0.00 0.00 61.69 63.16 1r4y s THR 3 Cb -0.24 -4.15 -0.11 0.00 0.01 0.00 0.00 72.50 68.01 1r4y s THR 3 CO 0.30 -0.38 0.96 0.26 -0.69 0.00 0.00 174.62 175.07 1r4y s TRP 4 N 2.92 3.27 -0.08 4.92 0.52 -0.33 -4.28 118.94 125.88 1r4y s TRP 4 Ca 0.28 1.60 -0.04 0.00 0.02 0.00 0.00 56.10 57.96 1r4y s TRP 4 Cb -0.14 -2.88 0.04 0.00 -1.15 0.00 0.00 33.47 29.34 1r4y s TRP 4 CO 0.16 -0.22 0.18 0.99 0.02 0.00 0.00 176.95 178.08 1r4y s THR 5 N -2.17 -0.04 0.00 2.01 2.01 -1.20 0.27 115.64 116.51 1r4y s THR 5 Ca 0.63 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1r4y s THR 5 Cb -0.10 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1r4y s THR 5 CO 0.15 0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.13 1r4y n GLY 7 N 2.97 -2.30 0.41 0.00 0.00 -1.26 -4.85 105.19 100.16 1r4y n GLY 7 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.11 0.67 3.27 -0.02 0.00 -1.26 -5.05 105.19 102.70 1r4y n GLY 8 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1r4y n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r4y s LEU 9 N 0.00 2.51 -0.12 0.99 1.43 -1.26 -5.14 118.68 117.09 1r4y s LEU 9 Ca 0.00 -0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 52.01 1r4y s LEU 9 Cb 0.00 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.71 1r4y s LEU 9 CO 0.00 -0.25 0.27 -0.76 0.23 0.00 0.00 176.35 175.84 1r4y s LEU 10 N -3.04 4.32 -0.33 1.79 1.02 -1.26 -3.98 118.68 117.21 1r4y s LEU 10 Ca 0.16 0.58 0.01 0.00 0.02 0.00 0.00 54.13 54.91 1r4y s LEU 10 Cb 0.00 -2.34 0.08 0.00 0.02 0.00 0.00 46.19 43.96 1r4y s LEU 10 CO 0.03 0.22 0.04 -0.31 0.02 0.00 0.00 176.35 176.34 1r4y s TYR 11 N -0.20 3.53 -0.08 0.29 2.02 0.14 -4.57 117.35 118.47 1r4y s TYR 11 Ca 0.17 -2.53 -0.34 0.00 -0.37 0.00 0.00 57.07 54.01 1r4y s TYR 11 Cb -0.13 -2.62 -0.11 0.00 -0.40 0.00 0.00 41.96 38.70 1r4y s TYR 11 CO 0.06 -0.91 1.91 -1.71 -1.57 0.00 0.00 175.55 173.32 1r4y n ASN 12 N 4.43 3.51 -0.32 2.29 4.05 -1.26 -1.19 115.26 126.77 1r4y n ASN 12 Ca -0.04 0.94 0.07 0.00 0.45 0.00 0.00 54.58 55.99 1r4y n ASN 12 Cb 0.42 -1.39 0.23 0.00 1.23 0.00 0.00 39.78 40.27 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 9.60 0.76 -0.88 1.20 5.75 -1.85 0.25 115.11 129.93 1r4y h GLN 13 Ca -0.48 -0.05 0.19 0.00 -0.15 0.00 0.00 58.65 58.16 1r4y h GLN 13 Cb 1.27 -0.17 -0.11 0.00 1.07 0.00 0.00 27.48 29.54 1r4y h GLN 13 CO 0.95 0.50 0.43 -0.97 -2.65 0.00 0.00 178.83 177.09 1r4y h ASN 14 N 0.78 0.44 -0.08 -0.69 -0.73 -1.88 0.48 115.58 113.90 1r4y h ASN 14 Ca 0.48 0.13 -0.16 0.00 1.87 0.00 0.00 56.30 58.61 1r4y h ASN 14 Cb 0.60 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.25 1r4y h ASN 14 CO -0.32 0.10 -0.51 0.11 -0.37 0.00 0.00 177.43 176.44 1r4y h LYS 15 N 0.51 0.65 -0.94 6.67 1.57 -0.94 0.37 116.57 124.46 1r4y h LYS 15 Ca 0.53 -0.39 0.13 0.00 -1.87 0.00 0.00 60.65 59.04 1r4y h LYS 15 Cb 0.90 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.17 1r4y h LYS 15 CO -0.46 1.01 0.60 0.00 -0.57 0.00 0.00 179.45 180.03 1r4y h ALA 16 N 0.92 1.69 0.12 3.86 0.00 0.13 0.62 119.26 126.59 1r4y h ALA 16 Ca 0.02 0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.58 1r4y h ALA 16 Cb 1.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1r4y h ALA 16 CO 0.10 0.07 -1.99 -0.85 0.00 0.00 0.00 179.25 176.58 1r4y n GLU 17 N -4.59 0.76 0.13 0.00 0.28 -0.12 -3.68 120.64 113.43 1r4y n GLU 17 Ca 0.18 0.26 -0.07 0.00 -0.16 0.00 0.00 57.16 57.37 1r4y n GLU 17 Cb 0.41 -1.71 -0.03 0.00 1.43 0.00 0.00 31.44 31.54 1r4y n GLU 17 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1r4y h SER 18 N 0.07 -0.36 -1.28 -1.84 0.87 -0.01 0.63 113.55 111.62 1r4y h SER 18 Ca -0.42 -0.00 0.45 0.00 -1.23 0.00 0.00 61.79 60.58 1r4y h SER 18 Cb 2.03 0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 63.94 1r4y h SER 18 CO 0.09 0.09 0.80 -1.13 -0.53 0.00 0.00 176.83 176.15 1r4y h ASN 19 N -1.11 0.25 0.46 6.23 -0.00 0.07 0.33 115.58 121.80 1r4y h ASN 19 Ca -0.04 0.17 -0.30 0.00 -0.00 0.00 0.00 56.30 56.12 1r4y h ASN 19 Cb 0.34 0.17 0.01 0.00 -0.00 0.00 0.00 38.32 38.84 1r4y h ASN 19 CO 0.07 -0.26 -1.42 0.77 -0.00 0.00 0.00 177.43 176.60 1r4y h SER 20 N 0.05 0.54 -1.07 1.15 4.64 -1.60 -3.28 113.55 113.97 1r4y h SER 20 Ca 0.85 -0.63 0.34 0.00 -0.47 0.00 0.00 61.79 61.88 1r4y h SER 20 Cb 2.60 -0.18 -0.14 0.00 -0.31 0.00 0.00 62.40 64.38 1r4y h SER 20 CO -0.51 1.50 0.64 0.45 -0.87 0.00 0.00 176.83 178.05 1r4y h HIS 21 N 0.09 0.81 -0.04 4.77 3.86 0.43 0.17 115.15 125.25 1r4y h HIS 21 Ca -0.21 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 58.96 1r4y h HIS 21 Cb 2.05 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 30.30 1r4y h HIS 21 CO 0.08 -0.15 -0.24 0.45 0.86 0.00 0.00 177.93 178.93 1r4y h HIS 22 N 0.29 0.32 -0.79 2.45 3.86 -1.63 -3.46 115.15 116.19 1r4y h HIS 22 Ca 0.73 -0.15 -0.64 0.00 -1.16 0.00 0.00 60.37 59.16 1r4y h HIS 22 Cb 1.83 -0.05 0.03 0.00 1.06 0.00 0.00 27.41 30.28 1r4y h HIS 22 CO -0.01 0.88 0.17 0.00 0.86 0.00 0.00 177.93 179.83 1r4y n ALA 23 N -2.50 -2.53 -2.37 2.45 0.00 0.60 -4.84 120.51 111.33 1r4y n ALA 23 Ca -0.09 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1r4y n ALA 23 Cb 0.47 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 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 0.57 4.34 -0.68 0.00 0.04 -1.26 -4.90 135.00 133.11 1r4y s PRO 24 Ca 0.74 1.79 -0.26 0.00 0.04 0.00 0.00 61.00 63.31 1r4y s PRO 24 Cb -1.04 -3.53 -0.11 0.00 0.04 0.00 0.00 34.50 29.86 1r4y s PRO 24 CO 0.50 -0.47 2.39 -1.17 0.04 0.00 0.00 177.00 178.29 1r4y s LEU 25 N 2.11 3.08 0.00 -3.56 2.96 -1.26 -4.61 118.68 117.40 1r4y s LEU 25 Ca 0.59 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 1r4y s LEU 25 Cb -0.28 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 43.88 1r4y s LEU 25 CO 0.24 -3.46 0.00 -1.20 -1.32 0.00 0.00 176.35 170.61 1r4y n SER 26 N 17.46 0.00 -4.58 3.68 7.64 -1.26 -5.05 113.62 131.51 1r4y n SER 26 Ca 0.42 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.91 1r4y n SER 26 Cb 0.48 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.58 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 6.12 -0.99 6.43 -1.08 -1.26 -4.19 116.67 121.70 1r4y s ASP 27 Ca 0.00 -0.02 -0.14 0.00 -0.52 0.00 0.00 52.55 51.87 1r4y s ASP 27 Cb 0.00 -2.16 0.01 0.00 -1.46 0.00 0.00 42.92 39.30 1r4y s ASP 27 CO 0.00 -0.17 0.70 0.61 0.52 0.00 0.00 175.17 176.83 1r4y n GLY 28 N 4.94 -1.11 0.05 2.66 0.00 -0.53 -4.76 105.19 106.44 1r4y n GLY 28 Ca -0.11 0.49 0.01 0.00 0.00 0.00 0.00 46.02 46.40 1r4y n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r4y n LYS 29 N -3.48 1.43 -4.22 1.61 4.81 -1.24 -5.03 118.16 112.04 1r4y n LYS 29 Ca -0.15 -1.16 -0.29 0.00 -0.87 0.00 0.00 58.31 55.83 1r4y n LYS 29 Cb 0.61 -0.81 -0.10 0.00 0.02 0.00 0.00 35.03 34.75 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1r4y s THR 30 N -0.70 3.41 0.27 3.15 -4.23 -1.25 -5.01 115.64 111.28 1r4y s THR 30 Ca 0.03 -1.29 -0.11 0.00 -1.18 0.00 0.00 61.69 59.14 1r4y s THR 30 Cb 0.03 -2.61 0.40 0.00 1.34 0.00 0.00 72.50 71.66 1r4y s THR 30 CO 0.00 0.08 1.55 0.61 -0.54 0.00 0.00 174.62 176.33 1r4y n GLY 31 N 0.60 -1.78 0.00 3.99 0.00 -0.91 -2.64 105.19 104.44 1r4y n GLY 31 Ca -0.13 1.08 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1r4y n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r4y n SER 32 N -5.58 0.00 0.01 1.61 2.88 -0.42 -3.97 113.62 108.15 1r4y n SER 32 Ca 0.14 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1r4y n SER 32 Cb 0.47 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1r4y n SER 32 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1r4y n SER 33 N -0.79 -0.14 -4.71 -3.46 3.41 -1.08 -5.00 113.62 101.85 1r4y n SER 33 Ca 0.00 0.33 -0.38 0.00 -0.26 0.00 0.00 58.87 58.55 1r4y n SER 33 Cb 0.00 0.44 0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1r4y n SER 33 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1r4y n TYR 34 N -2.47 1.97 -2.40 7.33 4.02 -1.26 -3.43 117.16 120.91 1r4y n TYR 34 Ca 0.00 0.44 -0.34 0.00 -0.01 0.00 0.00 57.90 57.99 1r4y n TYR 34 Cb 0.00 -2.31 -0.02 0.00 -0.02 0.00 0.00 39.34 36.99 1r4y n TYR 34 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1r4y s PRO 35 N -2.88 3.67 0.26 -0.72 0.04 -1.26 -4.66 135.00 129.44 1r4y s PRO 35 Ca 0.73 1.32 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1r4y s PRO 35 Cb -0.42 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 31.99 1r4y s PRO 35 CO 0.48 -0.54 -0.00 -3.38 0.04 0.00 0.00 177.00 173.60 1r4y s HIS 36 N -2.12 1.73 0.46 0.56 -3.43 -1.09 -1.45 115.29 109.96 1r4y s HIS 36 Ca 0.66 -0.89 -0.24 0.00 -0.80 0.00 0.00 55.06 53.80 1r4y s HIS 36 Cb -0.16 -1.03 -0.07 0.00 -1.43 0.00 0.00 32.58 29.89 1r4y s HIS 36 CO 0.25 0.03 1.32 -0.46 -2.00 0.00 0.00 174.74 173.88 1r4y s TRP 37 N -3.31 2.61 -0.71 0.38 -0.00 -1.26 -1.58 118.94 115.06 1r4y s TRP 37 Ca 0.30 1.39 0.03 0.00 -0.00 0.00 0.00 56.10 57.83 1r4y s TRP 37 Cb 0.06 -3.70 0.17 0.00 -0.00 0.00 0.00 33.47 30.00 1r4y s TRP 37 CO 0.11 -2.38 0.52 0.12 -0.00 0.00 0.00 176.95 175.32 1r4y s PHE 38 N -1.31 3.57 0.50 5.86 5.36 0.10 -4.70 117.98 127.36 1r4y s PHE 38 Ca 0.63 -3.21 0.41 0.00 -0.96 0.00 0.00 56.93 53.81 1r4y s PHE 38 Cb -0.38 -2.88 1.61 0.00 -0.34 0.00 0.00 43.02 41.03 1r4y s PHE 38 CO 0.47 -0.64 1.58 1.79 -1.46 0.00 0.00 175.22 176.97 1r4y h THR 39 N 4.56 0.02 -0.63 0.12 1.35 -1.88 -3.40 112.91 113.05 1r4y h THR 39 Ca 0.10 -0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.69 1r4y h THR 39 Cb 0.80 0.01 -0.11 0.00 -1.73 0.00 0.00 68.15 67.13 1r4y h THR 39 CO 0.74 0.00 -0.24 -3.20 -0.25 0.00 0.00 175.52 172.57 1r4y n ASN 40 N -4.34 -5.68 0.00 5.36 5.15 -1.26 -0.73 115.26 113.76 1r4y n ASN 40 Ca 0.42 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.73 1r4y n ASN 40 Cb 1.78 -4.34 0.00 0.00 -0.53 0.00 0.00 39.78 36.69 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 0.09 2.79 3.23 8.20 0.00 -1.26 -3.97 105.19 114.27 1r4y n GLY 41 Ca -0.13 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.46 -0.06 1.61 4.02 0.10 -4.42 117.16 116.95 1r4y n TYR 42 Ca 0.00 0.18 -0.20 0.00 -0.01 0.00 0.00 57.90 57.87 1r4y n TYR 42 Cb 0.00 -1.52 -0.13 0.00 -0.02 0.00 0.00 39.34 37.67 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 -1.11 2.06 0.01 7.72 8.00 0.96 -4.83 116.55 129.37 1r4y n ASP 43 Ca 0.01 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1r4y n ASP 43 Cb 0.63 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 2.07 -0.57 0.00 0.44 0.00 -1.26 -5.07 105.19 100.80 1r4y n GLY 44 Ca -0.38 0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.40 0.00 -0.13 1.61 9.92 -1.26 -2.08 116.55 122.20 1r4y n ASP 45 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1r4y n ASP 45 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 3.63 -1.81 3.58 0.44 0.00 -1.26 -3.65 105.19 106.12 1r4y n GLY 46 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1r4y n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r4y s LYS 47 N 0.00 2.36 0.25 1.61 -2.85 -1.26 -4.94 119.74 114.91 1r4y s LYS 47 Ca 0.00 -0.85 0.09 0.00 -1.00 0.00 0.00 55.97 54.20 1r4y s LYS 47 Cb 0.00 -2.40 -0.04 0.00 -2.06 0.00 0.00 37.83 33.32 1r4y s LYS 47 CO 0.00 0.56 0.04 -0.51 0.10 0.00 0.00 175.35 175.54 1r4y s LEU 48 N -1.71 3.35 0.65 2.77 1.43 -1.26 -0.02 118.68 123.88 1r4y s LEU 48 Ca 0.19 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 1r4y s LEU 48 Cb -0.11 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1r4y s LEU 48 CO 0.10 0.01 1.06 -2.16 0.23 0.00 0.00 176.35 175.59 1r4y s PRO 49 N -3.58 3.11 -0.58 1.29 0.04 -1.26 -4.88 135.00 129.14 1r4y s PRO 49 Ca 0.31 1.08 -0.28 0.00 0.04 0.00 0.00 61.00 62.16 1r4y s PRO 49 Cb -0.07 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1r4y s PRO 49 CO 0.21 -0.97 2.46 1.17 0.04 0.00 0.00 177.00 179.90 1r4y n LYS 50 N -2.60 0.85 -0.32 4.56 4.81 -1.26 -3.63 118.16 120.57 1r4y n LYS 50 Ca 0.08 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1r4y n LYS 50 Cb 0.53 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.64 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 6.14 -0.59 3.56 3.14 0.00 -1.26 -5.16 105.19 111.01 1r4y n GLY 51 Ca 0.44 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.16 0.67 -0.19 1.61 3.52 -1.24 -5.16 118.95 118.00 1r4y s ARG 52 Ca 0.00 -0.27 -0.04 0.00 -0.13 0.00 0.00 55.73 55.29 1r4y s ARG 52 Cb 0.00 0.30 0.10 0.00 -1.56 0.00 0.00 34.95 33.78 1r4y s ARG 52 CO 0.00 -0.30 0.29 0.99 -0.81 0.00 0.00 175.30 175.47 1r4y s THR 53 N -2.89 -0.44 0.89 4.11 2.01 -1.26 -5.02 115.64 113.04 1r4y s THR 53 Ca 0.07 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.99 1r4y s THR 53 Cb -0.01 -0.64 0.13 0.00 0.01 0.00 0.00 72.50 71.99 1r4y s THR 53 CO -0.07 -0.07 1.10 -2.16 -0.69 0.00 0.00 174.62 172.74 1r4y s PRO 54 N 2.43 1.28 -0.02 4.92 0.04 -1.25 -4.85 135.00 137.55 1r4y s PRO 54 Ca 0.06 0.60 -0.28 0.00 0.04 0.00 0.00 61.00 61.42 1r4y s PRO 54 Cb -0.14 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1r4y s PRO 54 CO -0.12 -2.17 0.91 0.42 0.04 0.00 0.00 177.00 176.09 1r4y s ILE 55 N -3.07 4.91 -0.08 0.56 1.01 -1.26 -5.03 121.20 118.24 1r4y s ILE 55 Ca 0.63 1.91 -0.13 0.00 0.00 0.00 0.00 60.65 63.06 1r4y s ILE 55 Cb -0.16 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1r4y s ILE 55 CO 0.56 0.18 0.31 -0.75 0.00 0.00 0.00 174.94 175.24 1r4y s LYS 56 N 0.99 3.91 0.06 2.79 2.36 -1.26 -4.96 119.74 123.62 1r4y s LYS 56 Ca 0.48 0.19 0.00 0.00 -2.55 0.00 0.00 55.97 54.09 1r4y s LYS 56 Cb -0.20 -3.28 0.00 0.00 -1.05 0.00 0.00 37.83 33.30 1r4y s LYS 56 CO 0.25 0.57 0.00 1.19 1.55 0.00 0.00 175.35 178.91 1r4y n PHE 57 N 2.41 -0.31 0.00 4.03 3.01 -1.26 -4.93 117.46 120.41 1r4y n PHE 57 Ca -0.15 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1r4y n PHE 57 Cb 0.53 0.16 0.00 0.00 -0.01 0.00 0.00 39.48 40.16 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 2.69 1.25 3.47 1.37 0.00 -1.26 -5.13 105.19 107.57 1r4y n GLY 58 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.91 -0.21 1.61 -0.14 -1.26 -4.98 119.74 112.85 1r4y s LYS 59 Ca 0.00 0.08 -0.05 0.00 -1.36 0.00 0.00 55.97 54.64 1r4y s LYS 59 Cb 0.00 -1.50 -0.11 0.00 -1.68 0.00 0.00 37.83 34.54 1r4y s LYS 59 CO 0.00 -4.20 -0.23 0.45 -0.76 0.00 0.00 175.35 170.61 1r4y n SER 60 N -5.13 1.96 0.12 2.83 2.88 -1.26 -3.81 113.62 111.21 1r4y n SER 60 Ca 0.12 0.08 -0.24 0.00 -1.33 0.00 0.00 58.87 57.50 1r4y n SER 60 Cb 0.59 -0.48 -0.16 0.00 -0.75 0.00 0.00 64.21 63.42 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1r4y h ASP 61 N -0.40 0.78 1.14 -3.46 5.19 -1.95 -0.62 116.42 117.10 1r4y h ASP 61 Ca -0.50 -0.93 -0.00 0.00 -0.62 0.00 0.00 57.03 54.98 1r4y h ASP 61 Cb 1.59 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.84 1r4y h ASP 61 CO -0.21 1.73 -0.01 0.00 -3.12 0.00 0.00 179.24 177.64 1r4y h ASP 63 N 0.00 0.47 -2.74 0.00 3.58 -1.65 -3.48 116.42 112.60 1r4y h ASP 63 Ca -0.00 -0.89 -0.49 0.00 0.42 0.00 0.00 57.03 56.07 1r4y h ASP 63 Cb 0.58 -0.15 0.23 0.00 1.72 0.00 0.00 39.33 41.70 1r4y h ASP 63 CO 0.00 1.69 -0.92 -2.11 -2.88 0.00 0.00 179.24 175.02 1r4y n ARG 64 N -3.79 -0.99 -2.35 0.28 1.85 -0.24 -4.93 116.66 106.49 1r4y n ARG 64 Ca -0.25 -0.26 -0.41 0.00 -1.00 0.00 0.00 57.85 55.93 1r4y n ARG 64 Cb 0.97 -1.74 -0.04 0.00 -1.05 0.00 0.00 32.46 30.61 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 -3.47 4.53 1.10 2.89 0.04 -1.26 -4.96 135.00 133.87 1r4y s PRO 65 Ca 0.56 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 1r4y s PRO 65 Cb -0.15 -3.16 0.24 0.00 0.04 0.00 0.00 34.50 31.46 1r4y s PRO 65 CO 0.67 0.04 1.11 -1.25 0.04 0.00 0.00 177.00 177.62 1r4y s PRO 66 N -1.34 -0.41 -0.36 0.56 0.04 -1.24 -4.87 135.00 127.37 1r4y s PRO 66 Ca 0.47 0.15 0.13 0.00 0.04 0.00 0.00 61.00 61.79 1r4y s PRO 66 Cb -0.34 -1.67 0.36 0.00 0.04 0.00 0.00 34.50 32.89 1r4y s PRO 66 CO 0.44 -3.22 0.76 1.63 0.04 0.00 0.00 177.00 176.65 1r4y n LYS 67 N -4.45 0.99 -1.58 4.56 4.76 -1.25 -4.09 118.16 117.10 1r4y n LYS 67 Ca 0.10 -3.36 -0.30 0.00 -2.87 0.00 0.00 58.31 51.87 1r4y n LYS 67 Cb 0.59 -1.66 0.08 0.00 -1.84 0.00 0.00 35.03 32.20 1r4y n LYS 67 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1r4y s HIS 68 N -2.51 2.91 0.00 2.13 5.65 -0.88 -4.20 115.29 118.40 1r4y s HIS 68 Ca 0.38 1.18 0.00 0.00 0.25 0.00 0.00 55.06 56.88 1r4y s HIS 68 Cb 0.36 -3.08 0.00 0.00 -1.18 0.00 0.00 32.58 28.68 1r4y s HIS 68 CO -0.07 -1.64 0.00 0.43 -0.65 0.00 0.00 174.74 172.81 1r4y n SER 69 N -3.35 0.00 -3.88 9.88 7.64 -1.26 -4.48 113.62 118.16 1r4y n SER 69 Ca 0.07 -0.87 -0.42 0.00 1.01 0.00 0.00 58.87 58.66 1r4y n SER 69 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1r4y n SER 69 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1r4y n LYS 70 N 0.00 3.20 0.00 1.43 5.02 -1.26 -3.73 118.16 122.83 1r4y n LYS 70 Ca 0.00 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 1r4y n LYS 70 Cb 0.00 -3.15 0.00 0.00 -0.02 0.00 0.00 35.03 31.86 1r4y n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r4y n ASP 71 N 5.36 0.00 0.00 4.39 8.00 -1.26 -5.03 116.55 128.01 1r4y n ASP 71 Ca 0.46 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1r4y n ASP 71 Cb 0.39 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 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 -0.74 3.54 2.63 0.44 0.00 -1.24 -4.75 105.19 105.05 1r4y n GLY 72 Ca 0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 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 0.09 0.00 1.61 2.47 -1.26 -4.55 114.94 113.30 1r4y s ASN 73 Ca 0.00 -2.22 0.00 0.00 0.42 0.00 0.00 52.86 51.06 1r4y s ASN 73 Cb 0.00 0.76 0.00 0.00 -1.45 0.00 0.00 41.25 40.56 1r4y s ASN 73 CO 0.00 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 173.86 1r4y n GLY 74 N 3.15 -2.99 0.00 1.21 0.00 -1.26 -4.84 105.19 100.45 1r4y n GLY 74 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 1.61 5.02 -1.26 -4.52 118.16 118.95 1r4y n LYS 75 Ca 0.00 0.01 0.07 0.00 -2.02 0.00 0.00 58.31 56.37 1r4y n LYS 75 Cb 0.00 -0.53 0.10 0.00 -0.02 0.00 0.00 35.03 34.58 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 -0.05 1.64 -0.48 -0.18 5.66 -1.26 -5.06 114.28 114.55 1r4y n THR 76 Ca 0.00 -1.88 -0.18 0.00 -3.05 0.00 0.00 64.05 58.94 1r4y n THR 76 Cb 0.00 -0.02 -0.05 0.00 -1.55 0.00 0.00 70.33 68.71 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 -1.12 0.18 -0.56 1.09 9.92 -1.26 -4.74 116.55 120.07 1r4y n ASP 77 Ca 0.12 0.15 0.04 0.00 -0.53 0.00 0.00 54.79 54.57 1r4y n ASP 77 Cb 0.53 -0.32 0.12 0.00 -0.64 0.00 0.00 41.12 40.81 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 3.16 0.41 -1.03 1.24 1.44 -1.26 -4.69 115.22 114.50 1r4y n HIS 78 Ca 0.21 -0.19 -0.39 0.00 -2.01 0.00 0.00 57.72 55.34 1r4y n HIS 78 Cb -0.00 -0.03 -0.05 0.00 0.12 0.00 0.00 29.99 30.03 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 0.28 0.21 -2.36 -1.40 4.11 -1.26 -2.96 117.16 113.78 1r4y n TYR 79 Ca 0.09 0.72 -0.33 0.00 -0.00 0.00 0.00 57.90 58.38 1r4y n TYR 79 Cb 0.27 -1.43 -0.02 0.00 -0.00 0.00 0.00 39.34 38.16 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 0.62 3.71 -0.00 -3.48 1.43 -1.26 -3.10 118.68 116.59 1r4y s LEU 80 Ca 0.58 1.86 0.02 0.00 -1.03 0.00 0.00 54.13 55.55 1r4y s LEU 80 Cb -0.82 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 40.85 1r4y s LEU 80 CO 0.40 -0.89 -0.05 -0.76 0.23 0.00 0.00 176.35 175.27 1r4y s LEU 81 N -3.88 2.01 0.11 1.79 1.02 0.10 0.03 118.68 119.85 1r4y s LEU 81 Ca 0.65 -0.10 0.04 0.00 0.02 0.00 0.00 54.13 54.75 1r4y s LEU 81 Cb -0.16 -0.28 -0.04 0.00 0.02 0.00 0.00 46.19 45.74 1r4y s LEU 81 CO 0.27 0.07 0.08 -1.83 0.02 0.00 0.00 176.35 174.95 1r4y s GLU 82 N -0.12 2.81 -0.02 1.70 1.03 -0.61 -2.19 118.70 121.29 1r4y s GLU 82 Ca 0.02 -0.79 -0.00 0.00 0.03 0.00 0.00 54.97 54.23 1r4y s GLU 82 Cb -0.02 -2.65 0.03 0.00 -0.80 0.00 0.00 34.13 30.68 1r4y s GLU 82 CO -0.00 0.53 0.03 0.12 -1.33 0.00 0.00 175.26 174.61 1r4y s PHE 83 N -1.50 0.02 -0.41 4.83 5.36 -0.89 -2.66 117.98 122.74 1r4y s PHE 83 Ca 0.29 0.13 -0.28 0.00 -0.96 0.00 0.00 56.93 56.11 1r4y s PHE 83 Cb -0.11 -0.22 -0.00 0.00 -0.34 0.00 0.00 43.02 42.34 1r4y s PHE 83 CO 0.22 -0.09 1.58 -1.25 -1.46 0.00 0.00 175.22 174.22 1r4y s PRO 84 N 1.02 3.41 -0.37 10.12 0.04 -1.26 -0.82 135.00 147.13 1r4y s PRO 84 Ca -0.08 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 1r4y s PRO 84 Cb -0.12 -4.12 0.04 0.00 0.04 0.00 0.00 34.50 30.34 1r4y s PRO 84 CO -0.03 -1.78 0.19 -0.08 0.04 0.00 0.00 177.00 175.35 1r4y s THR 85 N 6.23 4.34 0.61 1.26 -1.32 -1.20 -4.87 115.64 120.70 1r4y s THR 85 Ca 0.67 -1.01 -0.10 0.00 -1.21 0.00 0.00 61.69 60.04 1r4y s THR 85 Cb -0.16 -3.47 -0.03 0.00 -1.51 0.00 0.00 72.50 67.32 1r4y s THR 85 CO 0.32 -0.27 1.00 -0.36 -2.21 0.00 0.00 174.62 173.10 1r4y s PHE 86 N 1.50 3.57 0.03 9.09 0.08 -1.26 -4.84 117.98 126.16 1r4y s PHE 86 Ca 0.01 1.18 -0.17 0.00 0.12 0.00 0.00 56.93 58.07 1r4y s PHE 86 Cb -0.20 -2.71 -0.27 0.00 -0.57 0.00 0.00 43.02 39.27 1r4y s PHE 86 CO 0.05 -0.70 1.09 -1.00 -0.10 0.00 0.00 175.22 174.56 1r4y h PRO 87 N -0.29 0.55 -1.42 0.24 0.13 -1.96 -3.19 132.00 126.07 1r4y h PRO 87 Ca -0.45 -0.68 0.41 0.00 -0.87 0.00 0.00 66.00 64.41 1r4y h PRO 87 Cb 1.20 0.22 -0.06 0.00 0.13 0.00 0.00 31.00 32.48 1r4y h PRO 87 CO 0.62 1.29 1.01 -0.44 -0.23 0.00 0.00 178.00 180.25 1r4y h ASP 88 N 0.12 0.03 0.00 1.44 5.19 -1.95 -3.45 116.42 117.81 1r4y h ASP 88 Ca -0.14 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1r4y h ASP 88 Cb 1.69 0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.21 1r4y h ASP 88 CO 0.19 -0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.92 1r4y n GLY 89 N -1.79 1.35 3.72 2.75 0.00 -1.21 -5.00 105.19 105.01 1r4y n GLY 89 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.96 2.86 -0.85 1.61 -3.43 -1.26 -4.85 115.29 106.42 1r4y s HIS 90 Ca 0.00 0.34 -0.25 0.00 -0.80 0.00 0.00 55.06 54.35 1r4y s HIS 90 Cb 0.00 -4.13 -0.10 0.00 -1.43 0.00 0.00 32.58 26.92 1r4y s HIS 90 CO 0.00 -4.29 2.21 0.34 -2.00 0.00 0.00 174.74 171.01 1r4y s ASP 91 N 1.29 4.40 0.24 7.38 2.15 -1.26 -4.78 116.67 126.08 1r4y s ASP 91 Ca 0.75 -0.29 -0.21 0.00 0.43 0.00 0.00 52.55 53.24 1r4y s ASP 91 Cb -0.49 -2.56 -0.13 0.00 -0.30 0.00 0.00 42.92 39.44 1r4y s ASP 91 CO 0.32 -3.44 0.27 0.00 -0.17 0.00 0.00 175.17 172.16 1r4y n TYR 92 N 16.76 -0.97 -1.07 -5.34 9.36 -1.26 -4.75 117.16 129.89 1r4y n TYR 92 Ca 0.44 0.67 -0.29 0.00 3.32 0.00 0.00 57.90 62.05 1r4y n TYR 92 Cb 0.45 -1.54 -0.05 0.00 -0.63 0.00 0.00 39.34 37.57 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 2.88 0.12 2.98 2.85 -1.26 -4.45 118.16 122.22 1r4y n LYS 93 Ca 0.12 -1.74 0.12 0.00 -1.05 0.00 0.00 58.31 55.77 1r4y n LYS 93 Cb 0.26 -2.54 0.46 0.00 -0.65 0.00 0.00 35.03 32.56 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 3.55 0.89 0.00 5.58 1.16 -1.26 -3.34 117.46 124.05 1r4y n PHE 94 Ca 0.61 0.31 -0.13 0.00 -1.87 0.00 0.00 57.45 56.37 1r4y n PHE 94 Cb 0.31 -1.01 -0.14 0.00 -1.61 0.00 0.00 39.48 37.04 1r4y n PHE 94 CO 0.00 0.00 0.00 0.38 -1.87 0.00 0.00 176.76 175.27 1r4y h ASP 95 N 0.00 0.17 -3.64 5.98 3.04 -1.87 -1.07 116.42 119.02 1r4y h ASP 95 Ca 0.00 -0.35 -0.61 0.00 -3.24 0.00 0.00 57.03 52.84 1r4y h ASP 95 Cb 0.52 -0.06 -0.11 0.00 -1.04 0.00 0.00 39.33 38.64 1r4y h ASP 95 CO 0.00 1.31 0.53 -0.44 -2.04 0.00 0.00 179.24 178.59 1r4y s SER 96 N -6.52 6.47 0.11 4.15 0.01 -1.21 -2.15 113.70 114.57 1r4y s SER 96 Ca -0.10 0.04 -0.21 0.00 1.31 0.00 0.00 55.95 56.99 1r4y s SER 96 Cb 0.07 -2.43 -0.08 0.00 0.21 0.00 0.00 66.02 63.79 1r4y s SER 96 CO 0.81 -1.02 1.73 0.07 0.41 0.00 0.00 173.24 175.24 1r4y h LYS 97 N 9.07 0.04 -3.40 12.44 2.10 -1.84 -3.34 116.57 131.62 1r4y h LYS 97 Ca -0.24 -0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.10 1r4y h LYS 97 Cb 1.08 -0.01 -0.35 0.00 -0.90 0.00 0.00 32.23 32.05 1r4y h LYS 97 CO 1.01 0.03 -0.71 0.15 -2.00 0.00 0.00 179.45 177.93 1r4y s LYS 98 N -6.19 -0.03 1.11 0.07 -0.14 -1.26 -3.85 119.74 109.45 1r4y s LYS 98 Ca -0.13 0.29 -0.17 0.00 -1.36 0.00 0.00 55.97 54.60 1r4y s LYS 98 Cb 0.08 -0.31 0.25 0.00 -1.68 0.00 0.00 37.83 36.17 1r4y s LYS 98 CO 0.68 -0.22 1.14 -1.25 -0.76 0.00 0.00 175.35 174.94 1r4y s PRO 99 N 1.45 -0.48 -0.03 -1.68 0.04 -1.26 -5.17 135.00 127.86 1r4y s PRO 99 Ca -0.05 -0.01 -0.01 0.00 0.04 0.00 0.00 61.00 60.97 1r4y s PRO 99 Cb -0.12 -1.68 0.03 0.00 0.04 0.00 0.00 34.50 32.77 1r4y s PRO 99 CO -0.04 -3.23 0.07 0.21 0.04 0.00 0.00 177.00 174.05 1r4y s LYS 100 N -5.41 0.00 0.35 4.56 2.20 -1.25 -4.75 119.74 115.44 1r4y s LYS 100 Ca 0.70 0.24 -0.19 0.00 -0.36 0.00 0.00 55.97 56.36 1r4y s LYS 100 Cb -0.10 -0.22 -0.10 0.00 -1.51 0.00 0.00 37.83 35.89 1r4y s LYS 100 CO 0.55 -0.17 0.84 -2.00 -0.36 0.00 0.00 175.35 174.22 1r4y s GLU 101 N 1.09 4.18 0.19 4.03 2.12 -1.26 -5.01 118.70 124.04 1r4y s GLU 101 Ca -0.09 0.94 -0.30 0.00 0.36 0.00 0.00 54.97 55.88 1r4y s GLU 101 Cb -0.12 -2.42 -0.16 0.00 0.26 0.00 0.00 34.13 31.68 1r4y s GLU 101 CO -0.04 0.12 0.81 -1.71 -0.54 0.00 0.00 175.26 173.91 1r4y n ASN 102 N -0.25 -0.05 -2.70 -1.70 5.15 -1.26 -4.96 115.26 109.49 1r4y n ASN 102 Ca 0.04 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.17 1r4y n ASN 102 Cb 0.53 -1.07 0.00 0.00 -0.53 0.00 0.00 39.78 38.70 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 1.11 -0.09 -4.25 1.20 -0.04 -1.26 -5.07 135.00 126.60 1r4y n PRO 103 Ca 0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.47 1r4y n PRO 103 Cb 0.25 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.61 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 -2.07 1.08 -0.03 0.55 0.00 -1.26 -5.10 107.32 100.49 1r4y s GLY 104 Ca 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 44.72 43.19 1r4y s GLY 104 CO 0.00 -1.60 0.23 -0.56 0.00 0.00 0.00 173.10 171.17 1r4y h PRO 105 N 2.77 -0.10 -6.86 2.90 0.13 -1.94 -3.46 132.00 125.44 1r4y h PRO 105 Ca -0.37 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.24 1r4y h PRO 105 Cb 1.19 0.02 0.10 0.00 0.13 0.00 0.00 31.00 32.44 1r4y h PRO 105 CO 0.63 -0.07 0.85 0.00 -0.23 0.00 0.00 178.00 179.18 1r4y n ALA 106 N -2.32 2.53 -3.01 -0.56 0.00 -1.26 -4.55 120.51 111.34 1r4y n ALA 106 Ca -0.01 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.69 1r4y n ALA 106 Cb 0.04 -2.45 -0.11 0.00 0.00 0.00 0.00 19.45 16.93 1r4y n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r4y s ARG 107 N -1.19 0.35 -0.31 0.00 0.52 -0.38 -3.21 118.95 114.73 1r4y s ARG 107 Ca 0.59 -0.51 -0.22 0.00 -0.52 0.00 0.00 55.73 55.07 1r4y s ARG 107 Cb -0.48 0.13 -0.00 0.00 0.52 0.00 0.00 34.95 35.12 1r4y s ARG 107 CO 0.55 -0.07 0.71 0.54 0.02 0.00 0.00 175.30 177.06 1r4y s VAL 108 N -1.35 4.86 -0.22 3.52 0.11 0.00 -1.49 120.40 125.83 1r4y s VAL 108 Ca -0.15 1.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.82 1r4y s VAL 108 Cb -0.09 -4.08 -0.04 0.00 -1.53 0.00 0.00 36.38 30.64 1r4y s VAL 108 CO -0.00 -0.21 0.08 -0.63 -3.33 0.00 0.00 175.10 171.00 1r4y s ILE 109 N 2.80 4.65 0.09 7.04 1.09 -1.06 -2.09 121.20 133.72 1r4y s ILE 109 Ca 0.29 -0.07 -0.08 0.00 -1.10 0.00 0.00 60.65 59.69 1r4y s ILE 109 Cb -0.14 -3.14 -0.01 0.00 -1.06 0.00 0.00 42.46 38.11 1r4y s ILE 109 CO 0.12 0.39 0.17 -0.72 -0.10 0.00 0.00 174.94 174.81 1r4y s TYR 110 N 1.01 0.22 0.47 3.97 -0.85 -0.93 -1.63 117.35 119.60 1r4y s TYR 110 Ca 0.04 -0.66 0.01 0.00 -0.52 0.00 0.00 57.07 55.94 1r4y s TYR 110 Cb -0.14 -0.10 0.01 0.00 0.38 0.00 0.00 41.96 42.11 1r4y s TYR 110 CO 0.03 -0.54 0.68 0.95 -1.52 0.00 0.00 175.55 175.15 1r4y s THR 111 N -3.88 3.65 0.16 -3.49 -4.23 -1.24 -0.72 115.64 105.89 1r4y s THR 111 Ca 0.07 -0.58 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 1r4y s THR 111 Cb 0.05 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 1r4y s THR 111 CO -0.10 -0.23 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.21 1r4y s TYR 112 N -2.58 2.72 -0.07 3.99 6.14 -1.15 -3.39 117.35 123.01 1r4y s TYR 112 Ca 0.50 -0.18 -0.25 0.00 0.64 0.00 0.00 57.07 57.79 1r4y s TYR 112 Cb -0.10 -1.35 -0.20 0.00 0.42 0.00 0.00 41.96 40.73 1r4y s TYR 112 CO 0.37 0.49 0.94 -1.00 0.64 0.00 0.00 175.55 177.00 1r4y h PRO 113 N 3.01 -0.06 -6.02 4.97 0.13 -1.85 -3.38 132.00 128.81 1r4y h PRO 113 Ca -0.47 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.93 1r4y h PRO 113 Cb 1.19 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1r4y h PRO 113 CO 0.55 0.57 1.26 -1.71 -0.23 0.00 0.00 178.00 178.44 1r4y n ASN 114 N -4.79 1.55 -4.05 1.44 2.85 -1.26 -4.73 115.26 106.27 1r4y n ASN 114 Ca -0.08 0.66 -0.33 0.00 -0.11 0.00 0.00 54.58 54.71 1r4y n ASN 114 Cb 0.32 -1.08 -0.09 0.00 1.24 0.00 0.00 39.78 40.18 1r4y n ASN 114 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1r4y n LYS 115 N 7.28 0.77 -1.53 1.20 5.02 -1.22 -4.29 118.16 125.39 1r4y n LYS 115 Ca 0.44 -1.73 -0.41 0.00 -2.02 0.00 0.00 58.31 54.59 1r4y n LYS 115 Cb 0.09 -3.25 -0.04 0.00 -0.02 0.00 0.00 35.03 31.81 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 7.47 2.39 -1.40 -0.18 0.31 -1.22 -4.81 118.33 120.89 1r4y n VAL 116 Ca 0.46 -2.19 -0.51 0.00 -0.01 0.00 0.00 64.34 62.09 1r4y n VAL 116 Cb 0.44 -2.37 -0.09 0.00 -0.91 0.00 0.00 33.84 30.90 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 8.17 1.32 -0.07 3.52 7.35 -1.26 -3.68 117.46 132.81 1r4y n PHE 117 Ca 0.50 0.42 -0.07 0.00 -0.76 0.00 0.00 57.45 57.54 1r4y n PHE 117 Cb 0.41 -2.45 -0.05 0.00 0.35 0.00 0.00 39.48 37.75 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 1.66 1.08 3.19 0.00 0.00 -1.24 -5.06 105.19 104.82 1r4y n GLY 119 Ca -0.08 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.05 1.37 0.13 -0.61 -1.09 -1.26 -2.56 121.20 117.13 1r4y s ILE 120 Ca 0.00 -1.10 0.05 0.00 -2.23 0.00 0.00 60.65 57.37 1r4y s ILE 120 Cb 0.00 -1.21 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 1r4y s ILE 120 CO 0.00 0.09 -0.12 0.27 -1.23 0.00 0.00 174.94 173.95 1r4y s ILE 121 N -0.84 1.17 -0.16 2.92 -4.36 -0.55 0.23 121.20 119.62 1r4y s ILE 121 Ca 0.04 -1.83 -0.35 0.00 -0.26 0.00 0.00 60.65 58.26 1r4y s ILE 121 Cb -0.08 -1.60 0.14 0.00 1.25 0.00 0.00 42.46 42.16 1r4y s ILE 121 CO 0.02 -0.58 1.26 0.00 0.24 0.00 0.00 174.94 175.88 1r4y s ALA 122 N -2.66 -2.15 -0.80 2.27 0.00 -0.97 -1.25 121.76 116.21 1r4y s ALA 122 Ca 0.11 1.42 -0.19 0.00 0.00 0.00 0.00 51.96 53.30 1r4y s ALA 122 Cb -0.02 -0.04 0.13 0.00 0.00 0.00 0.00 23.12 23.19 1r4y s ALA 122 CO 0.01 -0.71 0.97 -1.01 0.00 0.00 0.00 175.76 175.02 1r4y s HIS 123 N -2.35 3.10 -0.56 0.00 0.09 -1.26 -2.90 115.29 111.41 1r4y s HIS 123 Ca 0.11 -1.23 -0.01 0.00 -0.00 0.00 0.00 55.06 53.93 1r4y s HIS 123 Cb 0.01 -4.17 0.42 0.00 -0.00 0.00 0.00 32.58 28.84 1r4y s HIS 123 CO -0.04 -1.42 2.00 -2.37 -0.00 0.00 0.00 174.74 172.92 1r4y n THR 124 N 5.39 3.37 -0.06 1.30 5.66 -1.26 -4.23 114.28 124.45 1r4y n THR 124 Ca 0.11 -2.50 -0.04 0.00 -3.05 0.00 0.00 64.05 58.56 1r4y n THR 124 Cb 0.47 -1.10 -0.13 0.00 -1.55 0.00 0.00 70.33 68.02 1r4y n THR 124 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1r4y n LYS 125 N -0.68 1.19 0.08 1.09 4.81 -1.26 -5.01 118.16 118.38 1r4y n LYS 125 Ca 0.55 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1r4y n LYS 125 Cb 0.77 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 34.41 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 -2.49 0.00 0.00 1.64 2.13 -1.26 -5.03 120.64 115.64 1r4y n GLU 126 Ca -0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.61 1r4y n GLU 126 Cb 0.90 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.61 1r4y n GLU 126 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1r4y n ASN 127 N -2.83 0.00 -2.83 4.31 3.02 -1.26 -5.04 115.26 110.63 1r4y n ASN 127 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1r4y n ASN 127 Cb 0.00 0.22 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1r4y n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r4y n GLN 128 N -2.10 0.63 0.00 3.52 1.13 -1.26 -4.78 117.38 114.52 1r4y n GLN 128 Ca 0.00 -2.08 0.00 0.00 -1.94 0.00 0.00 57.00 52.98 1r4y n GLN 128 Cb 0.00 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.88 1r4y n GLN 128 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r4y n GLY 129 N 2.27 1.22 3.91 1.08 0.00 -1.26 -5.12 105.19 107.29 1r4y n GLY 129 Ca 0.15 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 1.21 3.54 -0.03 1.61 8.01 -1.26 -4.98 118.70 126.79 1r4y s GLU 130 Ca 0.00 0.12 0.03 0.00 0.01 0.00 0.00 54.97 55.13 1r4y s GLU 130 Cb 0.00 -2.43 -0.03 0.00 -4.31 0.00 0.00 34.13 27.37 1r4y s GLU 130 CO 0.00 -0.14 -0.11 -0.51 0.01 0.00 0.00 175.26 174.51 1r4y s LEU 131 N -4.64 2.93 0.27 1.80 1.43 -1.26 -3.99 118.68 115.22 1r4y s LEU 131 Ca 0.46 -0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.31 1r4y s LEU 131 Cb -0.10 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1r4y s LEU 131 CO 0.43 0.33 0.44 -1.59 0.23 0.00 0.00 176.35 176.18 1r4y s LYS 132 N -0.99 1.63 0.10 1.70 0.00 -1.14 -4.87 119.74 116.16 1r4y s LYS 132 Ca 0.13 -1.46 -0.27 0.00 0.00 0.00 0.00 55.97 54.37 1r4y s LYS 132 Cb -0.11 0.44 -0.06 0.00 0.00 0.00 0.00 37.83 38.10 1r4y s LYS 132 CO 0.03 -0.66 0.84 -1.17 0.00 0.00 0.00 175.35 174.38 1r4y s LEU 133 N -3.10 4.51 0.00 2.77 2.96 -1.26 -2.29 118.68 122.26 1r4y s LEU 133 Ca 0.27 1.62 -0.13 0.00 -0.22 0.00 0.00 54.13 55.67 1r4y s LEU 133 Cb 0.00 -3.37 0.21 0.00 0.50 0.00 0.00 46.19 43.53 1r4y s LEU 133 CO 0.13 0.04 0.55 0.00 -1.32 0.00 0.00 176.35 175.74 1r4y s SER 135 N -2.83 -1.08 0.00 0.00 0.01 -0.66 -4.87 113.70 104.27 1r4y s SER 135 Ca 0.39 1.41 0.00 0.00 1.31 0.00 0.00 55.95 59.07 1r4y s SER 135 Cb -0.06 2.20 0.00 0.00 0.21 0.00 0.00 66.02 68.37 1r4y s SER 135 CO 0.32 -0.21 0.07 1.41 0.41 0.00 0.00 173.24 175.25